BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 11799 CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C18H21N5OS2/c1-3-25-15-11-20-14(10-21-15)16(24)22-13-6-4-5-12(9-13)18(2)7-8-26-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1 BMAIEHAATLKYFE-SFHVURJKSA-N 2677 US8507479, 140::US8507479, 80::US8541408, 80 Beta-secretase 1 Homo sapiens 70 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250461 242052644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 23069 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2ccc(O)c(O)c2)ccc1F InChI=1S/C20H22FN3O3S/c1-20(8-9-28-19(22)24-20)14-11-13(4-5-15(14)21)23-18(27)7-3-12-2-6-16(25)17(26)10-12/h2,4-6,10-11,25-26H,3,7-9H2,1H3,(H2,22,24)(H,23,27)/t20-/m0/s1 RJOUNGIYOAZIGM-FQEVSTJZSA-N 9487 US8507479, 155::US8541408, 155 Beta-secretase 1 Homo sapiens 5960 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250726 242078881 ZINC22363992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 25935 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 FNMJFZYRSQTKIH-HXPMCKFVSA-N 9488 US8541427, 1 Beta-secretase 1 Homo sapiens 4.7 14 US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60X 5HE7 44467360 242078882 ZINC22363992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29441 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 4.5 37.00 C Curated from the literature by BindingDB 10.1021/ja058636j 10.7270/Q26W98BN 16620080 aid1797486 Ghosh, AK; Kumaragurubaran, N; Hong, L; Lei, H; Hussain, KA; Liu, CF; Devasamudram, T; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29442 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 OTAKXFOXYSLTCG-KNSFHFJMSA-N 16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 2.5 4.5 37.00 C Curated from the literature by BindingDB 10.1021/ja058636j 10.7270/Q26W98BN 16620080 aid1797486 Ghosh, AK; Kumaragurubaran, N; Hong, L; Lei, H; Hussain, KA; Liu, CF; Devasamudram, T; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212352 46516094 CHEMBL290001 ZINC26176801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29443 CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C34H54N6O6S/c1-21(2)16-28(36-32(43)27(14-15-47-8)37-34(45)46-20-40-25(7)18-24(6)39-40)29(41)17-23(5)31(42)38-30(22(3)4)33(44)35-19-26-12-10-9-11-13-26/h9-13,18,21-23,27-30,41H,14-17,19-20H2,1-8H3,(H,35,44)(H,36,43)(H,37,45)(H,38,42)/t23-,27+,28+,29+,30+/m1/s1 ULDYEMFEBUTYDX-UYVIBWFJSA-N 16251 (3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamate::N-benzyl-N2-{(2R,4S,5S)-5-[(N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-L-methionyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-valinamide::pyrazole-bearing inhibitor 3 Beta-secretase 1 Homo sapiens 14 4.5 37.00 C Curated from the literature by BindingDB 10.1021/ja058636j 10.7270/Q26W98BN 16620080 aid1797486 Ghosh, AK; Kumaragurubaran, N; Hong, L; Lei, H; Hussain, KA; Liu, CF; Devasamudram, T; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11657627 46516095 ZINC96300123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29444 CSC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C30H54N6O6S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-43-10)33-30(41)42-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1 VLWRXSHSVDQTIF-GWCXRDAXSA-N 16252 (3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-(methylsulfanyl)ethyl]carbamate::N2-{(2R,4S,5S)-5-[(N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-S-methyl-L-cysteinyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-N-(2-methylpropyl)-L-valinamide::pyrazole-bearing inhibitor 4 Beta-secretase 1 Homo sapiens 4.4 4.5 37.00 C Curated from the literature by BindingDB 10.1021/ja058636j 10.7270/Q26W98BN 16620080 aid1797486 Ghosh, AK; Kumaragurubaran, N; Hong, L; Lei, H; Hussain, KA; Liu, CF; Devasamudram, T; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11657409 46509498 C03800 ZINC10339553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29445 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1 OFAZWNGNAATRSH-GWCXRDAXSA-N 16253 (3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate::CHEMBL448008::N2-[(2R,4S,5S)-5-{[N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide::pyrazole-bearing inhibitor 5 Beta-secretase 1 Homo sapiens 0.3 4.5 37.00 C Curated from the literature by BindingDB 10.1021/ja058636j 10.7270/Q26W98BN 16620080 aid1797486 Ghosh, AK; Kumaragurubaran, N; Hong, L; Lei, H; Hussain, KA; Liu, CF; Devasamudram, T; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZPQ 2G94 6540293 46509499 CHEMBL448008 ZINC24805568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29446 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C InChI=1S/C30H53N5O9S/c1-16(2)11-22(25(36)12-19(7)27(37)35-26(18(5)6)29(39)31-13-17(3)4)33-28(38)24(15-45(10,41)42)34-30(40)43-14-23-20(8)44-21(9)32-23/h16-19,22,24-26,36H,11-15H2,1-10H3,(H,31,39)(H,33,38)(H,34,40)(H,35,37)/t19-,22+,24+,25+,26+/m1/s1 UDROXIDKAFGJQP-ACAMQMCKSA-N 16254 (2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate::CHEMBL449300::N2-[(2R,4S,5S)-5-{[N-{[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide::oxazolylmethyl-bearing inhibitor 6 Beta-secretase 1 Homo sapiens 0.12 4.5 37.00 C Curated from the literature by BindingDB 10.1021/ja058636j 10.7270/Q26W98BN 16620080 aid1797486 Ghosh, AK; Kumaragurubaran, N; Hong, L; Lei, H; Hussain, KA; Liu, CF; Devasamudram, T; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11498384 46516314 CHEMBL449300 ZINC49841211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29456 CCCNC(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C29H48N4O5/c1-9-13-30-27(36)21-11-10-12-22(16-21)28(37)32-23(14-17(2)3)24(34)15-20(8)26(35)33-25(18(4)5)29(38)31-19(6)7/h10-12,16-20,23-25,34H,9,13-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)(H,33,35)/t20-,23+,24+,25+/m1/s1 WXXWGBAVXVRCBV-OCFYOKIWSA-N 16255 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-3-N-propylbenzene-1,3-dicarboxamide::Isophthalamide Derivative 22 Beta-secretase 1 Homo sapiens 788 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659063 46516505 ZINC10339585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29457 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)N(C)S(C)(=O)=O InChI=1S/C31H53N5O7S/c1-11-12-32-29(39)22-15-23(17-24(16-22)36(9)44(10,42)43)30(40)34-25(13-18(2)3)26(37)14-21(8)28(38)35-27(19(4)5)31(41)33-20(6)7/h15-21,25-27,37H,11-14H2,1-10H3,(H,32,39)(H,33,41)(H,34,40)(H,35,38)/t21-,25+,26+,27+/m1/s1 ASDUQZMMSYNGOP-FBZFJNBBSA-N 16256 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)-3-N-propylbenzene-1,3-dicarboxamide::Isophthalamide Derivative 5a Beta-secretase 1 Homo sapiens 52.5 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659067 46516315 ZINC10339568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29458 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C34H54N6O8S/c1-18(2)12-27(29(41)13-21(7)31(42)39-30(19(3)4)34(45)36-20(5)6)38-33(44)25-14-24(15-26(16-25)40(10)49(11,46)47)32(43)35-17-28-22(8)48-23(9)37-28/h14-16,18-21,27,29-30,41H,12-13,17H2,1-11H3,(H,35,43)(H,36,45)(H,38,44)(H,39,42)/t21-,27+,29+,30+/m1/s1 HVXRCOUKAWTMKX-CXVOGFMYSA-N 16257 1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::Isophthalamide Derivative 5b Beta-secretase 1 Homo sapiens 1.8 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659019 46516316 ZINC28644316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29459 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C35H53N5O7S/c1-21(2)15-29(30(41)16-24(7)32(42)39-31(22(3)4)35(45)37-23(5)6)38-34(44)27-17-26(18-28(19-27)40(8)48(9,46)47)33(43)36-20-25-13-11-10-12-14-25/h10-14,17-19,21-24,29-31,41H,15-16,20H2,1-9H3,(H,36,43)(H,37,45)(H,38,44)(H,39,42)/t24-,29+,30+,31+/m1/s1 VBTSWTACQXLTDG-MOBIUZRASA-N 16258 1-N-benzyl-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::Isophthalamide Derivative 5c Beta-secretase 1 Homo sapiens 136 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659020 46516317 ZINC28644385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29460 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1 BJOCXJJVELLFKM-LLWRDSBASA-N 16259 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::GRL-7234::Isophthalamide Derivative 5d Beta-secretase 1 Homo sapiens 1.1 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23I 2P4J 16659106 46516318 ZINC24819086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29461 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25+,30+,31+,32+/m1/s1 BJOCXJJVELLFKM-WXRFDULFSA-N 16260 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1S)-1-phenylethyl]benzene-1,3-dicarboxamide::Isophthalamide Derivative 5e Beta-secretase 1 Homo sapiens 315 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659021 46516319 ZINC28644525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29462 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C36H55N5O8S/c1-21(2)15-29(31(43)16-24(7)33(44)40-32(22(3)4)36(47)37-23(5)6)38-34(45)26-17-27(19-28(18-26)41(8)50(9,48)49)35(46)39-30(20-42)25-13-11-10-12-14-25/h10-14,17-19,21-24,29-32,42-43H,15-16,20H2,1-9H3,(H,37,47)(H,38,45)(H,39,46)(H,40,44)/t24-,29+,30-,31+,32+/m1/s1 GUIKWSZIYUANFW-KKESWQSKSA-N 16261 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-3-N-[(1S)-2-hydroxy-1-phenylethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::Isophthalamide Derivative 5f Beta-secretase 1 Homo sapiens 438 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659107 46516320 ZINC28644528 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29463 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NC(C)c1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C InChI=1S/C35H56N6O8S/c1-18(2)13-28(29(42)14-21(7)32(43)40-30(19(3)4)35(46)36-20(5)6)39-34(45)26-15-25(16-27(17-26)41(11)50(12,47)48)33(44)37-22(8)31-23(9)49-24(10)38-31/h15-22,28-30,42H,13-14H2,1-12H3,(H,36,46)(H,37,44)(H,39,45)(H,40,43)/t21-,22?,28+,29+,30+/m1/s1 RRHAZHLISKDKSA-QEOYOADQSA-N 16262 1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::Isophthalamide Derivative 5g Beta-secretase 1 Homo sapiens 27 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16659022 46516321 ZINC28644628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29464 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 233 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061338s 10.7270/Q2348HNP 17432843 aid1797487 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, SS; Xu, X; Chang, W; Weerasena, V; Turner, R; Koelsch, G; Bilcer, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29478 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H60N6O8/c1-10-17-39-31(46)21-29(42-37(50)33(25(7)8)44-38(51)52-18-11-2)35(48)41-28(19-23(3)4)30(45)20-26(9)34(47)43-32(24(5)6)36(49)40-22-27-15-13-12-14-16-27/h10-16,23-26,28-30,32-33,45H,1-2,17-22H2,3-9H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1 RISHVAFZYDDUML-CWURXVSKSA-N 16263 amide-urethane derived inhibitor 12a::prop-2-en-1-yl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-(prop-2-en-1-ylcarbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 26.6 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647288 46516322 ZINC28335175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29479 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\COC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H56N6O8/c1-21(2)17-26(28(43)18-24(7)32(45)41-30(22(3)4)34(47)38-20-25-13-9-8-10-14-25)39-33(46)27-19-29(44)37-15-11-12-16-50-36(49)42-31(23(5)6)35(48)40-27/h8-14,21-24,26-28,30-31,43H,15-20H2,1-7H3,(H,37,44)(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)/b12-11+/t24-,26+,27+,28+,30+,31+/m1/s1 ZJFJZIJWYSPFKR-VGPMGSKTSA-N 16264 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S,12E)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclotetradec-12-en-7-yl]formamido}octanamide::amide-urethane derived inhibitor 3a Beta-secretase 1 Homo sapiens 87.2 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647289 46516323 ZINC28347958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29480 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H58N6O8/c1-21(2)17-26(28(43)18-24(7)32(45)41-30(22(3)4)34(47)38-20-25-13-9-8-10-14-25)39-33(46)27-19-29(44)37-15-11-12-16-50-36(49)42-31(23(5)6)35(48)40-27/h8-10,13-14,21-24,26-28,30-31,43H,11-12,15-20H2,1-7H3,(H,37,44)(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)/t24-,26+,27+,28+,30+,31+/m1/s1 SBTVOHZKRIRQRZ-NZAUFOHTSA-N 16265 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclotetradecan-7-yl]formamido}octanamide::amide-urethane derived inhibitor 2a Beta-secretase 1 Homo sapiens 217.6 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644698 46509500 ZINC28348690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29481 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C39H62N6O8/c1-10-12-19-53-39(52)45-34(26(7)8)38(51)43-30(22-32(47)40-18-11-2)36(49)42-29(20-24(3)4)31(46)21-27(9)35(48)44-33(25(5)6)37(50)41-23-28-16-14-13-15-17-28/h10-11,13-17,24-27,29-31,33-34,46H,1-2,12,18-23H2,3-9H3,(H,40,47)(H,41,50)(H,42,49)(H,43,51)(H,44,48)(H,45,52)/t27-,29+,30+,31+,33+,34+/m1/s1 MUYOMGHAKVGEJJ-HHRGOUEHSA-N 16266 amide-urethane derived inhibitor 12b::but-3-en-1-yl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-(prop-2-en-1-ylcarbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 61.4 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647290 46516324 ZINC28348696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29482 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H58N6O8/c1-22(2)18-27(29(44)19-25(7)33(46)42-31(23(3)4)35(48)39-21-26-14-10-8-11-15-26)40-34(47)28-20-30(45)38-16-12-9-13-17-51-37(50)43-32(24(5)6)36(49)41-28/h8-12,14-15,22-25,27-29,31-32,44H,13,16-21H2,1-7H3,(H,38,45)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,43,50)/b12-9+/t25-,27+,28+,29+,31+,32+/m1/s1 VOTLCZDTSRJJKN-VVQGIFFESA-N 16267 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S,12E)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclopentadec-12-en-7-yl]formamido}octanamide::amide-urethane derived inhibitor 3b Beta-secretase 1 Homo sapiens 28.4 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647291 46516325 ZINC28349634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29483 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H60N6O8/c1-22(2)18-27(29(44)19-25(7)33(46)42-31(23(3)4)35(48)39-21-26-14-10-8-11-15-26)40-34(47)28-20-30(45)38-16-12-9-13-17-51-37(50)43-32(24(5)6)36(49)41-28/h8,10-11,14-15,22-25,27-29,31-32,44H,9,12-13,16-21H2,1-7H3,(H,38,45)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,43,50)/t25-,27+,28+,29+,31+,32+/m1/s1 RCPKQVYMRATIOL-HZFILLCLSA-N 16268 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclopentadecan-7-yl]formamido}octanamide::amide-urethane derived inhibitor 2b Beta-secretase 1 Homo sapiens 108.2 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647292 46516327 ZINC28348809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29484 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C40H64N6O8/c1-10-12-16-20-54-40(53)46-35(27(7)8)39(52)44-31(23-33(48)41-19-11-2)37(50)43-30(21-25(3)4)32(47)22-28(9)36(49)45-34(26(5)6)38(51)42-24-29-17-14-13-15-18-29/h10-11,13-15,17-18,25-28,30-32,34-35,47H,1-2,12,16,19-24H2,3-9H3,(H,41,48)(H,42,51)(H,43,50)(H,44,52)(H,45,49)(H,46,53)/t28-,30+,31+,32+,34+,35+/m1/s1 FWLZPOCMXKACSJ-OQBOYPBOSA-N 16269 amide-urethane derived inhibitor 12c::pent-4-en-1-yl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-(prop-2-en-1-ylcarbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 112.1 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647293 46516328 ZINC28349181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29485 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H60N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h8,10-13,15-16,23-26,28-30,32-33,45H,9,14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/b13-8+/t26-,28+,29+,30+,32+,33+/m1/s1 WHCHQGASEMPGEU-IZVUNNRLSA-N 16270 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S,12E)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadec-12-en-7-yl]formamido}octanamide::CHEMBL182892::amide-urethane derived inhibitor 3c Beta-secretase 1 Homo sapiens 14.2 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918820 46516344 CHEMBL182892 ZINC28350055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29486 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1 QJAPFAZHNSZLJE-CWURXVSKSA-N 16271 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadecan-7-yl]formamido}octanamide::amide-urethane derived inhibitor 2c Beta-secretase 1 Homo sapiens 25.1 4.5 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.10.084 10.7270/Q2ZC814B 15582402 aid1797488 Ghosh, AK; Devasamudram, T; Hong, L; DeZutter, C; Xu, X; Weerasena, V; Koelsch, G; Bilcer, G; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MMI 1XS7 449218 46516345 ZINC28353688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29693 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29694 C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 InChI=1S/C30H35FN4O5S/c1-19(21-8-10-24(31)11-9-21)33-29(37)22-15-23(17-26(16-22)35-41(2,39)40)30(38)34-27(14-20-6-4-3-5-7-20)28(36)18-32-25-12-13-25/h3-11,15-17,19,25,27-28,32,35-36H,12-14,18H2,1-2H3,(H,33,37)(H,34,38)/t19-,27+,28-/m1/s1 XMAYUKKFZWBWNS-KHWNGSORSA-N 16408 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methanesulfonamidobenzene-1,3-dicarboxamide::hydroxyethylamine containing compound 9 Beta-secretase 1 Homo sapiens 63 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11169204 46516648 ZINC14961368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29695 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C31H37FN4O5S/c1-20(22-9-11-25(32)12-10-22)34-30(38)23-16-24(18-27(17-23)36(2)42(3,40)41)31(39)35-28(15-21-7-5-4-6-8-21)29(37)19-33-26-13-14-26/h4-12,16-18,20,26,28-29,33,37H,13-15,19H2,1-3H3,(H,34,38)(H,35,39)/t20-,28+,29-/m1/s1 MVZMAKPUNIWJGT-IEXUNWISSA-N 16409 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 10 Beta-secretase 1 Homo sapiens 10 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11410816 46516649 ZINC14961372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29696 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33FN4O5S/c1-18(20-9-11-23(29)12-10-20)31-27(35)21-14-22(16-24(15-21)33(2)39(3,37)38)28(36)32-25(26(34)17-30)13-19-7-5-4-6-8-19/h4-12,14-16,18,25-26,34H,13,17,30H2,1-3H3,(H,31,35)(H,32,36)/t18-,25+,26-/m1/s1 ASSLNEHQIJFAJZ-YKQNXRHISA-N 16410 1-N-[(2S,3R)-4-amino-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 11 Beta-secretase 1 Homo sapiens 23 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11376341 46516650 ZINC14961376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29697 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C30H37FN4O5S/c1-5-32-19-28(36)27(15-21-9-7-6-8-10-21)34-30(38)24-16-23(17-26(18-24)35(3)41(4,39)40)29(37)33-20(2)22-11-13-25(31)14-12-22/h6-14,16-18,20,27-28,32,36H,5,15,19H2,1-4H3,(H,33,37)(H,34,38)/t20-,27+,28-/m1/s1 BSKMMOMBNBKWTC-JTOILGAVSA-N 16411 1-N-[(2S,3R)-4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 12 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11421906 46516651 ZINC14961379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29698 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)C)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C32H41FN4O5S/c1-21(23-12-14-26(33)15-13-23)35-30(39)24-17-25(19-27(18-24)37(5)43(6,41)42)31(40)36-28(16-22-10-8-7-9-11-22)29(38)20-34-32(2,3)4/h7-15,17-19,21,28-29,34,38H,16,20H2,1-6H3,(H,35,39)(H,36,40)/t21-,28+,29-/m1/s1 BILACAQKFWZXQE-SPTGULJVSA-N 16412 1-N-[(2S,3R)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 13 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342515 46516652 ZINC14961383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29699 CC(C)S(=O)(=O)N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C33H42N4O5S/c1-22(2)43(41,42)37(4)29-19-26(32(39)35-23(3)25-13-9-6-10-14-25)18-27(20-29)33(40)36-30(17-24-11-7-5-8-12-24)31(38)21-34-28-15-16-28/h5-14,18-20,22-23,28,30-31,34,38H,15-17,21H2,1-4H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1 SKFPOSFEIUNPPF-YYSPBGNDSA-N 16413 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylpropane-2-sulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 14 Beta-secretase 1 Homo sapiens 41 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342476 46516653 ZINC14961387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29700 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(=O)(=O)N(C)C)c1ccccc1 InChI=1S/C32H41N5O5S/c1-22(24-13-9-6-10-14-24)34-31(39)25-18-26(20-28(19-25)37(4)43(41,42)36(2)3)32(40)35-29(17-23-11-7-5-8-12-23)30(38)21-33-27-15-16-27/h5-14,18-20,22,27,29-30,33,38H,15-17,21H2,1-4H3,(H,34,39)(H,35,40)/t22-,29+,30-/m1/s1 RTCBCUCWGQILHI-ZDERHKTGSA-N 16414 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[(dimethylsulfamoyl)(methyl)amino]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 15 Beta-secretase 1 Homo sapiens 14 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049379g 10.7270/Q2XD0ZXT 15588077 aid1797502 Stachel, SJ; Coburn, CA; Steele, TG; Jones, KG; Loutzenhiser, EF; Gregro, AR; Rajapakse, HA; Lai, MT; Crouthamel, MC; Xu, M; Tugusheva, K; Lineberger, JE; Pietrak, BL; Espeseth, AS; Shi, XP; Chen-Dodson, E; Holloway, MK; Munshi, S; Simon, AJ; Kuo, L; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11410903 46516654 ZINC14961391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28698 Nc1ccc2ccccc2n1 InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) GCMNJUJAKQGROZ-UHFFFAOYSA-N 14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 2000000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2AQ 7WPM,7ORU,2OHL,5G65 11379 46514664 CHEMBL61236 ZINC19074717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28699 Nc1cccc(CCc2ccccc2)n1 InChI=1S/C13H14N2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,14,15) YEFODTWJWGCYRV-UHFFFAOYSA-N 15778 6-(2-phenylethyl)pyridin-2-amine::6-Substituted 2-Aminopyridine 2 Beta-secretase 1 Homo sapiens >2000000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13070818 46509462 ZINC10339551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28700 Nc1cccc(CCc2ccc3cc[nH]c3c2)n1 InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18) OSHSZKRWKLQZBV-UHFFFAOYSA-N 15779 6-Substituted 2-Aminopyridine 3::6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine Beta-secretase 1 Homo sapiens 94000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6IP 2OHP 11586735 46516066 DB07206 ZINC11525586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28701 COc1cccc(c1)-c1cccc(CCc2cccc(N)n2)c1 InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22) AEVBKBAFFJKFJZ-UHFFFAOYSA-N 15780 6-Substituted 2-Aminopyridine 4::6-{2-[3-(3-methoxyphenyl)phenyl]ethyl}pyridin-2-amine Beta-secretase 1 Homo sapiens 25000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7IP 2OHQ 11659487 46516067 DB07245 ZINC11525587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28702 Nc1ncccc1NCc1ccccc1 InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14) MUKAGFLFIMVSQN-UHFFFAOYSA-N 15781 3-N-benzylpyridine-2,3-diamine::3-Substituted 2-Aminopyridine 5::aminopyridine 3::fragment 3 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 310000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8AP 2OHM 10397869 46516068 DB07281 ZINC10339550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28703 Nc1ncccc1NCc1cccc(c1)-c1cccnc1 InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20) NQSBHBFOOVYRNM-UHFFFAOYSA-N 15782 3-N-{[3-(pyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 6a Beta-secretase 1 Homo sapiens 100000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8IP 2OHR 11701820 46516069 DB07284 ZINC10339547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28704 COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1 InChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21) PGAWZMRRCVSRIM-UHFFFAOYSA-N 15783 3-N-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 6b Beta-secretase 1 Homo sapiens 40000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9IP 2OHS 11500493 46516070 DB07303 ZINC11525588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28705 CCCOc1cncc(c1)-c1cccc(CNc2cccnc2N)c1 InChI=1S/C20H22N4O/c1-2-9-25-18-11-17(13-22-14-18)16-6-3-5-15(10-16)12-24-19-7-4-8-23-20(19)21/h3-8,10-11,13-14,24H,2,9,12H2,1H3,(H2,21,23) CXPQVRUSZWCUDZ-UHFFFAOYSA-N 15784 3-N-{[3-(5-propoxypyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 6c Beta-secretase 1 Homo sapiens 24000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11681539 46516071 ZINC11726157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28706 Nc1ncccc1NCc1cccc(c1)-c1ccc2cc[nH]c2c1 InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23) LPQUIIHPUGDHJK-UHFFFAOYSA-N 15785 3-N-{[3-(1H-indol-6-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 7 Beta-secretase 1 Homo sapiens 9100 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search IP6 2OHT 11507920 46516072 DB07993 ZINC11525589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28707 Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1 InChI=1S/C27H24N4O/c28-27-24(7-4-13-30-27)31-17-23-15-21(22-9-8-20-12-14-29-25(20)16-22)10-11-26(23)32-18-19-5-2-1-3-6-19/h1-16,29,31H,17-18H2,(H2,28,30) IWQIMHIJDLAOHB-UHFFFAOYSA-N 15786 3-N-{[2-(benzyloxy)-5-(1H-indol-6-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 8a Beta-secretase 1 Homo sapiens 690 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11517373 46516073 ZINC11726158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28708 Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1 InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30) KMBPJSHPAXOXBT-UHFFFAOYSA-N 15787 3-N-{[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 8b Beta-secretase 1 Homo sapiens 4200 5 22.00 C Curated from the literature by BindingDB 10.1021/jm061197u 10.7270/Q2TT4P6T 17315857 aid1797424 Congreve, M; Aharony, D; Albert, J; Callaghan, O; Campbell, J; Carr, RA; Chessari, G; Cowan, S; Edwards, PD; Frederickson, M; McMenamin, R; Murray, CW; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search IP7 2OHU 11633167 46516074 DB07994 ZINC11726159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28709 Nc1nccc2ccccc12 InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) OSILBMSORKFRTB-UHFFFAOYSA-N 14320 1-amino-isoquinoline::CHEMBL62083::Fragment 17::fragment 1 (J. med. chem.,50,1116)::isoquinolin-1-amine Beta-secretase 1 Homo sapiens 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0611962 10.7270/Q2Q23XHV 17315856 aid1797425 Murray, CW; Callaghan, O; Chessari, G; Cleasby, A; Congreve, M; Frederickson, M; Hartshorn, MJ; McMenamin, R; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1SQ 4YUY,2OHK,7AXW,5RU8,3KPW,5RVP,5AQS 73742 46514662 CHEMBL62083 ZINC00154817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28710 Nc1ccc2ccccc2n1 InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) GCMNJUJAKQGROZ-UHFFFAOYSA-N 14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0611962 10.7270/Q2Q23XHV 17315856 aid1797425 Murray, CW; Callaghan, O; Chessari, G; Cleasby, A; Congreve, M; Frederickson, M; Hartshorn, MJ; McMenamin, R; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2AQ 7WPM,7ORU,2OHL,5G65 11379 46514664 CHEMBL61236 ZINC19074717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28711 Nc1ncccc1NCc1ccccc1 InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14) MUKAGFLFIMVSQN-UHFFFAOYSA-N 15781 3-N-benzylpyridine-2,3-diamine::3-Substituted 2-Aminopyridine 5::aminopyridine 3::fragment 3 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 310000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0611962 10.7270/Q2Q23XHV 17315856 aid1797425 Murray, CW; Callaghan, O; Chessari, G; Cleasby, A; Congreve, M; Frederickson, M; Hartshorn, MJ; McMenamin, R; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8AP 2OHM 10397869 46516068 DB07281 ZINC10339550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28712 Fc1ccc(CC2CCNCC2)cc1 InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2 JLAKCHGEEBPDQI-UHFFFAOYSA-N 15788 4-[(4-fluorophenyl)methyl]piperidine::CHEMBL1204355::CHEMBL144527::fragment 4::piperidine 4 Beta-secretase 1 Homo sapiens 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0611962 10.7270/Q2Q23XHV 17315856 aid1797425 Murray, CW; Callaghan, O; Chessari, G; Cleasby, A; Congreve, M; Frederickson, M; Hartshorn, MJ; McMenamin, R; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4FP 2OHN 3699841 46516075 CHEMBL144527CHEMBL1204355 DB07110 ZINC02512916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28713 Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1 InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1 HVMGGHDPXHODHE-AWEZNQCLSA-N 15789 (2S)-1-(2,5-dimethylphenoxy)-3-(morpholin-4-yl)propan-2-ol::aliphatic hydroxyl fragment 5::fragment 5 Beta-secretase 1 Homo sapiens >1000000 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0611962 10.7270/Q2Q23XHV 17315856 aid1797425 Murray, CW; Callaghan, O; Chessari, G; Cleasby, A; Congreve, M; Frederickson, M; Hartshorn, MJ; McMenamin, R; Patel, S; Wallis, N Astex http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CMZ 2OF0 831616 46516076 41617 DB07573 ZINC19790773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28714 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C InChI=1S/C31H43F2N3O4/c1-6-11-36(12-7-2)31(40)24-10-8-9-23(17-24)30(39)35-27(16-22-14-25(32)18-26(33)15-22)28(37)13-21(5)29(38)34-19-20(3)4/h8-10,14-15,17-18,20-21,27-28,37H,6-7,11-13,16,19H2,1-5H3,(H,34,38)(H,35,39)/t21-,27+,28+/m1/s1 XVGVQHKKBOYQOC-MHWRTBLVSA-N 15790 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL42908::Hydroxyethylene-Based Peptidomimetic Inhibitor, 20::hydroxyethylene (HE) Inhibitor 1 Beta-secretase 1 Homo sapiens 30 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918716 46516077 CHEMBL42908 ZINC14959542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28715 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@@H](C)C(=O)NCC(C)C InChI=1S/C31H44F2N4O4/c1-6-11-37(12-7-2)31(41)24-10-8-9-23(16-24)30(40)36-27(15-22-13-25(32)17-26(33)14-22)28(38)19-34-21(5)29(39)35-18-20(3)4/h8-10,13-14,16-17,20-21,27-28,34,38H,6-7,11-12,15,18-19H2,1-5H3,(H,35,39)(H,36,40)/t21-,27-,28-/m0/s1 SRFCEZYLYMKEJM-NUKCWJJBSA-N 15791 3-N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}butan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)propyl]-N,N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 2 Beta-secretase 1 Homo sapiens 68000 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16109349 46516078 ZINC14959546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28716 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C InChI=1S/C31H44F2N4O4/c1-6-11-37(12-7-2)31(41)24-10-8-9-23(16-24)30(40)36-27(15-22-13-25(32)17-26(33)14-22)28(38)19-34-21(5)29(39)35-18-20(3)4/h8-10,13-14,16-17,20-21,27-28,34,38H,6-7,11-12,15,18-19H2,1-5H3,(H,35,39)(H,36,40)/t21-,27-,28+/m0/s1 SRFCEZYLYMKEJM-YNOBPPCASA-N 15792 3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}butan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)propyl]-N,N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 3a Beta-secretase 1 Homo sapiens 130 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16109345 46516079 ZINC14959549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28717 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H](C)C(=O)NCC(C)C InChI=1S/C31H44F2N4O4/c1-6-11-37(12-7-2)31(41)24-10-8-9-23(16-24)30(40)36-27(15-22-13-25(32)17-26(33)14-22)28(38)19-34-21(5)29(39)35-18-20(3)4/h8-10,13-14,16-17,20-21,27-28,34,38H,6-7,11-12,15,18-19H2,1-5H3,(H,35,39)(H,36,40)/t21-,27+,28-/m1/s1 SRFCEZYLYMKEJM-AOLGGSBGSA-N 15793 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(R)-(1-isobutylcarbamoyl-ethylamino)-propyl]-N,N-dipropyl-isophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1R)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}butan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 3b Beta-secretase 1 Homo sapiens 500 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16109350 46516080 ZINC14959553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28718 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C InChI=1S/C32H46F2N4O4/c1-7-9-38(10-8-2)32(42)25-12-21(5)11-24(16-25)31(41)37-28(15-23-13-26(33)17-27(34)14-23)29(39)19-35-22(6)30(40)36-18-20(3)4/h11-14,16-17,20,22,28-29,35,39H,7-10,15,18-19H2,1-6H3,(H,36,40)(H,37,41)/t22-,28-,29+/m0/s1 FSBAIGISIGFDRJ-PWUSVURUSA-N 15794 (1S,2R)-N-[1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(S)-(1-isobutylcarbamoyl-ethylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 3c Beta-secretase 1 Homo sapiens 70 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16109346 46509463 ZINC14959557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28719 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)C(=O)NCC(C)C InChI=1S/C33H48F2N4O4/c1-8-10-39(11-9-2)31(42)25-13-22(5)12-24(17-25)30(41)38-28(16-23-14-26(34)18-27(35)15-23)29(40)20-37-33(6,7)32(43)36-19-21(3)4/h12-15,17-18,21,28-29,37,40H,8-11,16,19-20H2,1-7H3,(H,36,43)(H,38,41)/t28-,29+/m0/s1 USWOYPKVOXJJPM-URLMMPGGSA-N 15795 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(1-isobutylcarbamoyl-1-methyl-ethylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({1-methyl-1-[(2-methylpropyl)carbamoyl]ethyl}amino)butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 3d Beta-secretase 1 Homo sapiens 200 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16109351 46509464 ZINC14959561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28720 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccccc1 InChI=1S/C32H39F2N3O3/c1-4-11-37(12-5-2)32(40)26-14-22(3)13-25(18-26)31(39)36-29(17-24-15-27(33)19-28(34)16-24)30(38)21-35-20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-30,35,38H,4-5,11-12,17,20-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1 BBFRLBGJFFIVOR-XZWHSSHBSA-N 15796 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(benzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6a Beta-secretase 1 Homo sapiens 130 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16109352 46516081 ZINC14959566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28721 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1 FSQSHDXWJKXBPP-XZWHSSHBSA-N 15797 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)-propyl]-5-methyl -N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-iodophenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL373533::hydroxyethyl secondary amine (HEA) inhibitor 6b Beta-secretase 1 Homo sapiens 5 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search F2I 2IQG 11628951 46516082 CHEMBL373533 ZINC24904840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28723 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1 WWRRFQHCNOJJJP-CUTTXCQYSA-N 15799 CHEMBL81671::Macrocyclic BACE inhibitor 1::tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 82 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644687 46509465 CHEMBL81671 ZINC26492127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28724 CC(C)[C@H](NC(=O)CC[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 InChI=1S/C33H53N5O7/c1-21(2)28(31(43)34-20-23-14-10-9-11-15-23)38-27(40)19-18-26(39)24-16-12-7-8-13-17-25(37-32(44)45-33(4,5)6)30(42)35-22(3)29(41)36-24/h9-11,14-15,21-22,24-26,28,39H,7-8,12-13,16-20H2,1-6H3,(H,34,43)(H,35,42)(H,36,41)(H,37,44)(H,38,40)/t22-,24-,25-,26-,28-/m0/s1 KIWFHZCVNIKJRF-FVCDFAAQSA-N 15800 Macrocyclic BACE inhibitor 2::tert-butyl N-[(3S,6S,13S)-13-[(1S)-3-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-1-hydroxypropyl]-3-methyl-2,5-dioxo-1,4-diazacyclotridecan-6-yl]carbamate Beta-secretase 1 Homo sapiens 9704 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23646327 46513387 ZINC14959570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28725 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 InChI=1S/C34H55N5O7/c1-21(2)28(32(44)35-20-24-15-11-10-12-16-24)39-29(41)22(3)19-27(40)25-17-13-8-9-14-18-26(38-33(45)46-34(5,6)7)31(43)36-23(4)30(42)37-25/h10-12,15-16,21-23,25-28,40H,8-9,13-14,17-20H2,1-7H3,(H,35,44)(H,36,43)(H,37,42)(H,38,45)(H,39,41)/t22-,23+,25+,26+,27+,28+/m1/s1 YQCZIMYKFGVRCA-DPWFGKHQSA-N 15801 Macrocyclic BACE inhibitor 3::tert-butyl N-[(3S,6S,13S)-13-[(1S,3R)-3-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-1-hydroxy-3-methylpropyl]-3-methyl-2,5-dioxo-1,4-diazacyclotridecan-6-yl]carbamate Beta-secretase 1 Homo sapiens 285 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23646330 46513402 ZINC28563501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28726 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccncc1 InChI=1S/C33H54N6O7/c1-20(2)27(31(44)35-19-23-14-16-34-17-15-23)39-28(41)21(3)18-26(40)24-12-10-8-9-11-13-25(38-32(45)46-33(5,6)7)30(43)36-22(4)29(42)37-24/h14-17,20-22,24-27,40H,8-13,18-19H2,1-7H3,(H,35,44)(H,36,43)(H,37,42)(H,38,45)(H,39,41)/t21-,22+,24+,25+,26+,27+/m1/s1 HGPIQZUAWKEQJT-GVJQUFSWSA-N 15802 Macrocyclic BACE inhibitor 4::tert-butyl N-[(3S,6S,13S)-13-[(1S,3R)-1-hydroxy-3-methyl-3-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}propyl]-3-methyl-2,5-dioxo-1,4-diazacyclotridecan-6-yl]carbamate Beta-secretase 1 Homo sapiens 4925 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23646331 46513405 ZINC28566003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28727 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](N)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 InChI=1S/C29H47N5O5/c1-18(2)25(29(39)31-17-21-12-8-7-9-13-21)34-26(36)19(3)16-24(35)23-15-11-6-5-10-14-22(30)28(38)32-20(4)27(37)33-23/h7-9,12-13,18-20,22-25,35H,5-6,10-11,14-17,30H2,1-4H3,(H,31,39)(H,32,38)(H,33,37)(H,34,36)/t19-,20+,22+,23+,24+,25+/m1/s1 RPFGAQYAKUEJHQ-BNAHVLAZSA-N 15803 (2R,4S)-4-[(2S,5S,12S)-12-amino-2-methyl-3,13-dioxo-1,4-diazacyclotridecan-5-yl]-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2-methylbutanamide::Macrocyclic BACE inhibitor 5 Beta-secretase 1 Homo sapiens 2397 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647188 46516087 ZINC14959575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28728 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCN([C@@H](C)C(=O)N1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C35H58N6O7/c1-21(2)28(32(45)37-20-25-14-16-36-17-15-25)39-30(43)23(5)19-27(42)26-13-11-10-12-18-41(24(6)31(44)38-26)33(46)29(22(3)4)40-34(47)48-35(7,8)9/h14-17,21-24,26-29,42H,10-13,18-20H2,1-9H3,(H,37,45)(H,38,44)(H,39,43)(H,40,47)/t23-,24+,26+,27+,28+,29+/m1/s1 YXZLNUCZHUWHSH-BSWWUHMMSA-N 15804 Macrocyclic BACE inhibitor 6::tert-butyl N-[(2S)-1-[(2S,5S)-5-[(1S,3R)-1-hydroxy-3-methyl-3-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}propyl]-2-methyl-3-oxo-1,4-diazecan-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Beta-secretase 1 Homo sapiens 260 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23646332 46513407 ZINC28564833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28729 CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C36H60N6O7/c1-10-23(4)30(41-35(48)49-36(7,8)9)34(47)42-19-13-11-12-14-27(39-32(45)25(42)6)28(43)20-24(5)31(44)40-29(22(2)3)33(46)38-21-26-15-17-37-18-16-26/h15-18,22-25,27-30,43H,10-14,19-21H2,1-9H3,(H,38,46)(H,39,45)(H,40,44)(H,41,48)/t23?,24-,25+,27+,28+,29+,30+/m1/s1 AULOSCVGHUZXOU-PZEAGWTDSA-N 15805 Macrocyclic BACE inhibitor 7::tert-butyl N-[(2S)-1-[(2S,5S)-5-[(1S,3R)-1-hydroxy-3-methyl-3-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}propyl]-2-methyl-3-oxo-1,4-diazecan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate Beta-secretase 1 Homo sapiens 65 4.6 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.09.003 10.7270/Q2FJ2F26 16249081 aid1797427 Rojo, I; Martin, JA; Broughton, H; Timm, D; Erickson, J; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23646467 46513997 ZINC96300122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 28722 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1 JEEOUWBWJFSMIP-IOWSJCHKSA-N 15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c Beta-secretase 1 Homo sapiens 20 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm061242y 10.7270/Q2K935TZ 17300163 aid1797426 Maillard, MC; Hom, RK; Benson, TE; Moon, JB; Mamo, S; Bienkowski, M; Tomasselli, AG; Woods, DD; Prince, DB; Paddock, DJ; Emmons, TL; Tucker, JA; Dappen, MS; Brogley, L; Thorsett, ED; Jewett, N; Sinha, S; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS5 3L58,2QK5 9916309 46516083 ZINC03965949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 26873 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(F)ccc1Cl InChI=1S/C19H19ClF2N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(21)4-5-13(11)20/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 GPGKIYIQXOQZPN-HXPMCKFVSA-N 9489 US8541427, 2 Beta-secretase 1 Homo sapiens 8.9 42 US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467431 242078883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 26899 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(Cl)ccc1F InChI=1S/C19H19ClF2N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 YORCINGINNFUQC-HXPMCKFVSA-N 9649 US8541427, 3 Beta-secretase 1 Homo sapiens 13 109 US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467432 242078884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29072 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29073 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O InChI=1S/C24H32N4O5S/c1-25-23(30)17-12-18(14-20(13-17)28(2)34(3,32)33)24(31)27-21(11-16-7-5-4-6-8-16)22(29)15-26-19-9-10-19/h4-8,12-14,19,21-22,26,29H,9-11,15H2,1-3H3,(H,25,30)(H,27,31)/t21-,22+/m0/s1 LIUJZRBMHMCUSD-FCHUYYIVSA-N 16020 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-methyl-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::isophthalamide deriv. 7a Beta-secretase 1 Homo sapiens 980 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647273 46516287 ZINC14960361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29074 CCC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O InChI=1S/C25H33N3O5S/c1-4-23(29)18-13-19(15-21(14-18)28(2)34(3,32)33)25(31)27-22(12-17-8-6-5-7-9-17)24(30)16-26-20-10-11-20/h5-9,13-15,20,22,24,26,30H,4,10-12,16H2,1-3H3,(H,27,31)/t22-,24+/m0/s1 QVUSTEXFTZZUJB-LADGPHEKSA-N 16021 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylmethanesulfonamido)-5-propanoylbenzamide::isophthalamide deriv. 7b Beta-secretase 1 Homo sapiens 1500 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647274 46516288 ZINC14960365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29075 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)Cc1ccccc1)S(C)(=O)=O InChI=1S/C30H35N3O5S/c1-33(39(2,37)38)26-18-23(28(34)16-22-11-7-4-8-12-22)17-24(19-26)30(36)32-27(15-21-9-5-3-6-10-21)29(35)20-31-25-13-14-25/h3-12,17-19,25,27,29,31,35H,13-16,20H2,1-2H3,(H,32,36)/t27-,29+/m0/s1 ZLIGYLWVTNRPAU-LMSSTIIKSA-N 16022 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylmethanesulfonamido)-5-(2-phenylacetyl)benzamide::isophthalamide deriv. 7c Beta-secretase 1 Homo sapiens 1400 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647275 46516289 ZINC14960369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29076 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)Cc1ccccc1)S(C)(=O)=O InChI=1S/C30H37N3O5S/c1-33(39(2,37)38)26-18-23(28(34)16-22-11-7-4-8-12-22)17-24(19-26)30(36)32-27(15-21-9-5-3-6-10-21)29(35)20-31-25-13-14-25/h3-12,17-19,25,27-29,31,34-35H,13-16,20H2,1-2H3,(H,32,36)/t27-,28?,29+/m0/s1 AEBVIYPNYVSQQN-ATQGWHGASA-N 16023 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1-hydroxy-2-phenylethyl)-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7d Beta-secretase 1 Homo sapiens 5500 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647276 46516290 ZINC14960377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29077 CN(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C29H33N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-27,30,33H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1 WCVRLSCSQDAERN-RRPNLBNLSA-N 16024 3-benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)benzamide::L-000430469::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-3-[methyl(methylsulfonyl)amino]-5-(phenylcarbonyl)benzamide::compound 7e Beta-secretase 1 Homo sapiens 98 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3BN 2B8V 5327063 46516291 ZINC14960381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29078 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)c1ccccc1)S(C)(=O)=O InChI=1S/C29H35N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-28,30,33-34H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+,28?/m0/s1 DGAUPCASMZWYCI-MDEZFMAYSA-N 16025 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-[hydroxy(phenyl)methyl]-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7f Beta-secretase 1 Homo sapiens 5900 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647277 46516292 ZINC14960388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29079 CN(c1cc(cc(c1)C(=C)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C30H35N3O4S/c1-21(23-12-8-5-9-13-23)24-17-25(19-27(18-24)33(2)38(3,36)37)30(35)32-28(16-22-10-6-4-7-11-22)29(34)20-31-26-14-15-26/h4-13,17-19,26,28-29,31,34H,1,14-16,20H2,2-3H3,(H,32,35)/t28-,29+/m0/s1 SWKGNUNVEFSXTN-URLMMPGGSA-N 16026 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylmethanesulfonamido)-5-(1-phenylethenyl)benzamide::isophthalamide deriv. 7g Beta-secretase 1 Homo sapiens 1300 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647278 46516293 ZINC14960392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29080 CN(c1cc(Cc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C29H35N3O4S/c1-32(37(2,35)36)26-17-23(15-21-9-5-3-6-10-21)16-24(19-26)29(34)31-27(18-22-11-7-4-8-12-22)28(33)20-30-25-13-14-25/h3-12,16-17,19,25,27-28,30,33H,13-15,18,20H2,1-2H3,(H,31,34)/t27-,28+/m0/s1 BWNOBGAXCWKDGO-WUFINQPMSA-N 16027 3-benzyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7h Beta-secretase 1 Homo sapiens 4630 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647279 46516294 ZINC14960396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29081 CN(c1cc(cc(c1)C(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C29H39N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3,5-6,9-10,16-18,21,24,26-27,30,33H,4,7-8,11-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1 JVMKYZPYHJJVGU-RRPNLBNLSA-N 16028 3-cyclohexanecarbonyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7i Beta-secretase 1 Homo sapiens 450 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647280 46516295 ZINC14960400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29082 CC(C)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O InChI=1S/C26H35N3O5S/c1-17(2)25(31)19-13-20(15-22(14-19)29(3)35(4,33)34)26(32)28-23(12-18-8-6-5-7-9-18)24(30)16-27-21-10-11-21/h5-9,13-15,17,21,23-24,27,30H,10-12,16H2,1-4H3,(H,28,32)/t23-,24+/m0/s1 NQPODBUQGCOYHO-BJKOFHAPSA-N 16029 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylmethanesulfonamido)-5-(2-methylpropanoyl)benzamide::isophthalamide deriv. 7j Beta-secretase 1 Homo sapiens 240 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647281 46516296 ZINC14960403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29083 CN(c1cc(cc(c1)C(=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C28H37N3O5S/c1-31(37(2,35)36)24-16-21(27(33)20-10-6-7-11-20)15-22(17-24)28(34)30-25(14-19-8-4-3-5-9-19)26(32)18-29-23-12-13-23/h3-5,8-9,15-17,20,23,25-26,29,32H,6-7,10-14,18H2,1-2H3,(H,30,34)/t25-,26+/m0/s1 XRYAXIWRIUYCFF-IZZNHLLZSA-N 16030 3-cyclopentanecarbonyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7k Beta-secretase 1 Homo sapiens 180 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647282 46516297 ZINC14960407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29084 CN(c1cc(\C=C\C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C27H35N3O4S/c1-30(35(2,33)34)24-15-21(11-10-19-8-9-19)14-22(17-24)27(32)29-25(16-20-6-4-3-5-7-20)26(31)18-28-23-12-13-23/h3-7,10-11,14-15,17,19,23,25-26,28,31H,8-9,12-13,16,18H2,1-2H3,(H,29,32)/b11-10+/t25-,26+/m0/s1 ZHPLYLNRGJDZPC-BEXSJWOMSA-N 16031 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-[(E)-2-cyclopropylethenyl]-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7l Beta-secretase 1 Homo sapiens 730 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647283 46516298 ZINC14960412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29085 CN(c1cc(\C=C/C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C27H35N3O4S/c1-30(35(2,33)34)24-15-21(11-10-19-8-9-19)14-22(17-24)27(32)29-25(16-20-6-4-3-5-7-20)26(31)18-28-23-12-13-23/h3-7,10-11,14-15,17,19,23,25-26,28,31H,8-9,12-13,16,18H2,1-2H3,(H,29,32)/b11-10-/t25-,26+/m0/s1 ZHPLYLNRGJDZPC-LKPWTTCZSA-N 16032 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-[(Z)-2-cyclopropylethenyl]-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7m Beta-secretase 1 Homo sapiens 35 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11569561 46516299 ZINC14960416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29086 CN(c1cc(CCC2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C27H37N3O4S/c1-30(35(2,33)34)24-15-21(11-10-19-8-9-19)14-22(17-24)27(32)29-25(16-20-6-4-3-5-7-20)26(31)18-28-23-12-13-23/h3-7,14-15,17,19,23,25-26,28,31H,8-13,16,18H2,1-2H3,(H,29,32)/t25-,26+/m0/s1 TUMNGTWHEBPBOO-IZZNHLLZSA-N 16033 N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(2-cyclopropylethyl)-5-(N-methylmethanesulfonamido)benzamide::isophthalamide deriv. 7n Beta-secretase 1 Homo sapiens 420 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2005.10.032 10.7270/Q28S4N5N 16263281 aid1797458 Stachel, SJ; Coburn, CA; Steele, TG; Crouthamel, MC; Pietrak, BL; Lai, MT; Holloway, MK; Munshi, SK; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647284 46516300 ZINC14960420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29087 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 10 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29088 C[C@@H](NC(=O)c1cc(cc(c1)C1=NC(CO)(Cc2ccccc2)CO1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN3O5S/c1-19(21-9-11-24(29)12-10-21)30-26(34)22-13-23(15-25(14-22)32(2)38(3,35)36)27-31-28(17-33,18-37-27)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18H2,1-3H3,(H,30,34)/t19-,28?/m1/s1 PNURYIQMAHVPOC-OJQMSQGESA-N 16035 3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::oxazoline inhibitor 2 Beta-secretase 1 Homo sapiens 12500 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16094311 46516302 ZINC14960431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29089 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28?/m1/s1 JVYHUOIVVLDSHT-OJQMSQGESA-N 16036 2-Amino-2-benzyl-3-hydroxypropyl-3-({[(1R)-1-(4-fluorophenyl)ethyl]amino}-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate::2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)benzoate::L-001151442::tertiary carbinamine ester 3 Beta-secretase 1 Homo sapiens 200 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2IS0 16094305 46516303 ZINC14960439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29090 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)30-26(35)22-13-23(15-25(14-22)32(2)39(3,37)38)27(36)31-28(17-33,18-34)16-20-7-5-4-6-8-20/h4-15,19,33-34H,16-18H2,1-3H3,(H,30,35)(H,31,36)/t19-/m1/s1 ASFAFOSQXBRFMV-LJQANCHMSA-N 16037 1-N-(2-benzyl-1,3-dihydroxypropan-2-yl)-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::N-[1-benzyl-2-hydroxy-1-(hydroxymethyl)ethyl]-N -{[(1R)-1-(4-fluorophenyl)ethyl]-5-[N-methyl-N-(methylsulfonyl)amino]}isophthalimide::amide 4 Beta-secretase 1 Homo sapiens 2700 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16094312 46516304 ZINC14960443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29091 C[C@@H](NC(=O)c1cc(COC[C@@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O5S/c1-20(23-9-11-25(29)12-10-23)31-27(34)24-13-22(14-26(15-24)32(2)38(3,35)36)17-37-19-28(30,18-33)16-21-7-5-4-6-8-21/h4-15,20,33H,16-19,30H2,1-3H3,(H,31,34)/t20-,28+/m1/s1 KWOISCWHVUWIQV-NGOKVRLYSA-N 16038 3-[(2-amino-2-benzyl-3-hydroxypropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{[(2S)-2-amino-2-benzyl-3-hydroxypropoxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::tertiary carbinamine derived inhibitor 5 Beta-secretase 1 Homo sapiens 1370 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16094306 46516305 ZINC14960447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29092 C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O4S/c1-20(23-10-12-25(29)13-11-23)31-27(33)24-14-22(15-26(16-24)32(3)37(4,34)35)18-36-19-28(2,30)17-21-8-6-5-7-9-21/h5-16,20H,17-19,30H2,1-4H3,(H,31,33)/t20-,28-/m1/s1 HEVVQTLSQHWKDS-PIIWDFAUSA-N 16039 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::tertiary carbinamine derived inhibitor 6 Beta-secretase 1 Homo sapiens 430 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16094307 46516306 ZINC14960451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29093 C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1 PTQRJCCBUDSHTQ-WHLCRQNOSA-N 16040 (3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)methyl (2R)-2-amino-2-methyl-3-phenylpropanoate::3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::tertiary carbinamine derived inhibitor 7 Beta-secretase 1 Homo sapiens 27 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 712 2PH6 16094313 46516307 ZINC14960453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29094 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 QEJSJQVKMSAHHX-KWMCUTETSA-N 16041 3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::CHEMBL219601::L-001233771::oxadiazoyl tertiary carbinamine 8 Beta-secretase 1 Homo sapiens 12 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm061046r 10.7270/Q2513WGP 17149856 aid1797459 Rajapakse, HA; Nantermet, PG; Selnick, HG; Munshi, S; McGaughey, GB; Lindsley, SR; Young, MB; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I02 2IRZ 11692473 46516308 CHEMBL219601 ZINC10339564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29095 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 InChI=1S/C29H38N4O4/c1-4-16-33(17-5-2)29(36)25-18-24(28(35)32-22(3)23-12-8-6-9-13-23)19-26(20-25)37-21-27(34)31-15-11-7-10-14-30/h4-6,8-9,12-13,18-20,22H,1-2,7,10-11,14-17,21,30H2,3H3,(H,31,34)(H,32,35)/t22-/m1/s1 KCEHMJAHDXQQHY-JOCHJYFZSA-N 16042 5-{[(5-aminopentyl)carbamoyl]methoxy}-3-N-[(1R)-1-phenylethyl]-1-N,1-N-bis(prop-2-en-1-yl)benzene-1,3-dicarboxamide::oxyacetamide 1 Beta-secretase 1 Homo sapiens 25000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049388p 10.7270/Q21C1V47 15566281 aid1797460 Coburn, CA; Stachel, SJ; Li, YM; Rush, DM; Steele, TG; Chen-Dodson, E; Holloway, MK; Xu, M; Huang, Q; Lai, MT; DiMuzio, J; Crouthamel, MC; Shi, XP; Sardana, V; Chen, Z; Munshi, S; Kuo, L; Makara, GM; Annis, DA; Tadikonda, PK; Nash, HM; Vacca, JP; Wang, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11598634 46516309 ZINC13585510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29096 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)-c1ccccc1C#N)c1ccccc1 InChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)33-29(35)25-16-24(27-13-7-6-12-23(27)19-31)17-26(18-25)36-20-28(34)32-15-9-3-8-14-30/h2,4-7,10-13,16-18,21H,3,8-9,14-15,20,30H2,1H3,(H,32,34)(H,33,35)/t21-/m1/s1 YUEZQFWNMDKTLS-OAQYLSRUSA-N 16043 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-(2-cyanophenyl)-N-[(1R)-1-phenylethyl]benzamide::oxyacetamide 2 Beta-secretase 1 Homo sapiens 21000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049388p 10.7270/Q21C1V47 15566281 aid1797460 Coburn, CA; Stachel, SJ; Li, YM; Rush, DM; Steele, TG; Chen-Dodson, E; Holloway, MK; Xu, M; Huang, Q; Lai, MT; DiMuzio, J; Crouthamel, MC; Shi, XP; Sardana, V; Chen, Z; Munshi, S; Kuo, L; Makara, GM; Annis, DA; Tadikonda, PK; Nash, HM; Vacca, JP; Wang, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647285 46516310 ZINC13585512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29097 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 InChI=1S/C29H35N3O6S/c1-22(24-13-7-3-8-14-24)32-29(34)25-17-26(37-20-28(33)31-16-10-4-9-15-30)19-27(18-25)38-39(35,36)21-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-19,22H,4,9-10,15-16,20-21,30H2,1H3,(H,31,33)(H,32,34)/t22-/m1/s1 VRFDWCQNOBGUBX-JOCHJYFZSA-N 16044 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-{[(1R)-1-phenylethyl]carbamoyl}phenyl 1-phenylmethanesulfonate::oxyacetamide 3 Beta-secretase 1 Homo sapiens 3400 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049388p 10.7270/Q21C1V47 15566281 aid1797460 Coburn, CA; Stachel, SJ; Li, YM; Rush, DM; Steele, TG; Chen-Dodson, E; Holloway, MK; Xu, M; Huang, Q; Lai, MT; DiMuzio, J; Crouthamel, MC; Shi, XP; Sardana, V; Chen, Z; Munshi, S; Kuo, L; Makara, GM; Annis, DA; Tadikonda, PK; Nash, HM; Vacca, JP; Wang, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647286 46516311 ZINC14960457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29098 C[C@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 InChI=1S/C29H35N3O6S/c1-22(24-13-7-3-8-14-24)32-29(34)25-17-26(37-20-28(33)31-16-10-4-9-15-30)19-27(18-25)38-39(35,36)21-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-19,22H,4,9-10,15-16,20-21,30H2,1H3,(H,31,33)(H,32,34)/t22-/m0/s1 VRFDWCQNOBGUBX-QFIPXVFZSA-N 16045 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-{[(1S)-1-phenylethyl]carbamoyl}phenyl 1-phenylmethanesulfonate::oxyacetamide 4 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049388p 10.7270/Q21C1V47 15566281 aid1797460 Coburn, CA; Stachel, SJ; Li, YM; Rush, DM; Steele, TG; Chen-Dodson, E; Holloway, MK; Xu, M; Huang, Q; Lai, MT; DiMuzio, J; Crouthamel, MC; Shi, XP; Sardana, V; Chen, Z; Munshi, S; Kuo, L; Makara, GM; Annis, DA; Tadikonda, PK; Nash, HM; Vacca, JP; Wang, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647287 46516312 ZINC14960461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 29099 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1 InChI=1S/C29H34FN3O6S/c1-21(23-10-12-25(30)13-11-23)33-29(35)24-16-26(38-19-28(34)32-15-7-3-6-14-31)18-27(17-24)39-40(36,37)20-22-8-4-2-5-9-22/h2,4-5,8-13,16-18,21H,3,6-7,14-15,19-20,31H2,1H3,(H,32,34)(H,33,35)/t21-/m1/s1 UUMRCVIXZFKZAU-OAQYLSRUSA-N 16046 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}phenyl 1-phenylmethanesulfonate::L-124,671::oxyacetamide 5 Beta-secretase 1 Homo sapiens 1400 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm049388p 10.7270/Q21C1V47 15566281 aid1797460 Coburn, CA; Stachel, SJ; Li, YM; Rush, DM; Steele, TG; Chen-Dodson, E; Holloway, MK; Xu, M; Huang, Q; Lai, MT; DiMuzio, J; Crouthamel, MC; Shi, XP; Sardana, V; Chen, Z; Munshi, S; Kuo, L; Makara, GM; Annis, DA; Tadikonda, PK; Nash, HM; Vacca, JP; Wang, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32P 1TQF 448772 46516313 ZINC10339546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30253 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 InChI=1S/C22H28F2N4O4S/c1-13-4-16(13)11-25-20-8-15(9-21(27-20)28(2)33(3,31)32)22(30)26-19(12-29)7-14-5-17(23)10-18(24)6-14/h5-6,8-10,13,16,19,29H,4,7,11-12H2,1-3H3,(H,25,27)(H,26,30)/t13-,16+,19-/m0/s1 WOZUPVNRNGMNND-CRFBAAHOSA-N 16674 N-[(2S)-1-(3,5-difluorophenyl)-3-hydroxypropan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 13 Beta-secretase 1 Homo sapiens 74 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647384 46516902 ZINC14961828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30254 CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O InChI=1S/C26H36F2N4O4S/c1-5-6-7-23(33)22(11-17-9-20(27)14-21(28)10-17)30-26(34)18-12-24(29-15-19-8-16(19)2)31-25(13-18)32(3)37(4,35)36/h9-10,12-14,16,19,22-23,33H,5-8,11,15H2,1-4H3,(H,29,31)(H,30,34)/t16-,19+,22-,23-/m0/s1 NGFARXMOSBGKMH-IHJXWSBQSA-N 16675 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxyheptan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 14 Beta-secretase 1 Homo sapiens 13 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647385 46516903 ZINC14961833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30255 CCCC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O InChI=1S/C26H37F2N5O3S/c1-5-6-7-22(29)23(11-17-9-20(27)14-21(28)10-17)31-26(34)18-12-24(30-15-19-8-16(19)2)32-25(13-18)33(3)37(4,35)36/h9-10,12-14,16,19,22-23H,5-8,11,15,29H2,1-4H3,(H,30,32)(H,31,34)/t16-,19+,22-,23-/m0/s1 RKDSHPWKIYQWRO-IHJXWSBQSA-N 16676 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-3-amino-1-(3,5-difluorophenyl)heptan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 15 Beta-secretase 1 Homo sapiens 9 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647386 46516904 ZINC14961837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30256 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1ccccc1 InChI=1S/C22H31N5O3S/c1-15-9-18(15)14-24-20-11-17(12-21(26-20)27(2)31(3,29)30)22(28)25-19(13-23)10-16-7-5-4-6-8-16/h4-8,11-12,15,18-19H,9-10,13-14,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,18+,19-/m0/s1 YVDYUARNOWTGPV-IPELMVKDSA-N 16677 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 16 Beta-secretase 1 Homo sapiens 34 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16748451 46516905 ZINC14961841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30257 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O InChI=1S/C26H39N5O3S/c1-5-6-12-22(27)23(14-19-10-8-7-9-11-19)29-26(32)20-15-24(28-17-21-13-18(21)2)30-25(16-20)31(3)35(4,33)34/h7-11,15-16,18,21-23H,5-6,12-14,17,27H2,1-4H3,(H,28,30)(H,29,32)/t18-,21+,22-,23-/m0/s1 NWXMMDTWUBTQIQ-AWDZXFJFSA-N 16678 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 17 Beta-secretase 1 Homo sapiens 20 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647387 46516906 ZINC14961845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30258 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CCC(F)(F)F InChI=1S/C25H34F3N5O3S/c1-16-11-19(16)15-30-22-13-18(14-23(32-22)33(2)37(3,35)36)24(34)31-21(12-17-7-5-4-6-8-17)20(29)9-10-25(26,27)28/h4-8,13-14,16,19-21H,9-12,15,29H2,1-3H3,(H,30,32)(H,31,34)/t16-,19+,20-,21-/m0/s1 XVKYVWUBZDDZMH-CZGNIMDHSA-N 16679 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-3-amino-6,6,6-trifluoro-1-phenylhexan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 18 Beta-secretase 1 Homo sapiens 2 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647388 46516907 ZINC14961850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30259 CCCC[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O InChI=1S/C24H37N5O3S2/c1-5-6-7-20(25)21(11-17-8-9-33-15-17)27-24(30)18-12-22(26-14-19-10-16(19)2)28-23(13-18)29(3)34(4,31)32/h8-9,12-13,15-16,19-21H,5-7,10-11,14,25H2,1-4H3,(H,26,28)(H,27,30)/t16-,19+,20-,21-/m0/s1 MSSOOXCWRUWADA-CZGNIMDHSA-N 16680 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-3-amino-1-(thiophen-3-yl)heptan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 19 Beta-secretase 1 Homo sapiens 11 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QIN 2OAH 16741220 46516908 ZINC14961854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30260 C[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O InChI=1S/C21H31N5O3S2/c1-13-7-17(13)11-23-19-9-16(10-20(25-19)26(3)31(4,28)29)21(27)24-18(14(2)22)8-15-5-6-30-12-15/h5-6,9-10,12-14,17-18H,7-8,11,22H2,1-4H3,(H,23,25)(H,24,27)/t13-,14-,17+,18-/m0/s1 LPCZEZNQBUGMMX-ZZCKCESHSA-N 16681 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-3-amino-1-(thiophen-3-yl)butan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 20 Beta-secretase 1 Homo sapiens 32 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647389 46516909 ZINC14961858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30261 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C InChI=1S/C27H41N5O3S/c1-6-7-13-23(28)24(15-20-11-9-8-10-12-20)29-27(33)21-16-25(31(3)18-22-14-19(22)2)30-26(17-21)32(4)36(5,34)35/h8-12,16-17,19,22-24H,6-7,13-15,18,28H2,1-5H3,(H,29,33)/t19-,22+,23-,24-/m0/s1 BKPZGMYGZNAAMM-UQAQOTMJSA-N 16682 N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 21 Beta-secretase 1 Homo sapiens 31 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647390 46516910 ZINC14961862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30262 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(CCC)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C InChI=1S/C29H45N5O3S/c1-6-8-14-25(30)26(17-22-12-10-9-11-13-22)31-29(35)23-18-27(33(4)20-24-16-21(24)3)32-28(19-23)34(15-7-2)38(5,36)37/h9-13,18-19,21,24-26H,6-8,14-17,20,30H2,1-5H3,(H,31,35)/t21-,24+,25-,26-/m0/s1 WRGYTFATDFTUGF-QUKDMSEQSA-N 16683 N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-propylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 22 Beta-secretase 1 Homo sapiens 39 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647391 46516911 ZINC14961866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30263 CCCN(c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](C)N)S(C)(=O)=O InChI=1S/C26H39N5O3S/c1-6-12-31(35(5,33)34)25-16-21(15-24(29-25)30(4)17-22-13-18(22)2)26(32)28-23(19(3)27)14-20-10-8-7-9-11-20/h7-11,15-16,18-19,22-23H,6,12-14,17,27H2,1-5H3,(H,28,32)/t18-,19-,22+,23-/m0/s1 RSJGSKPMYGFGRC-LBVMUVSTSA-N 16684 N-[(2S,3S)-3-amino-1-phenylbutan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-propylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 23 Beta-secretase 1 Homo sapiens 67 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647392 46516912 ZINC14961871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30264 COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C InChI=1S/C25H37N5O4S/c1-17-11-20(17)15-29(2)23-13-19(14-24(28-23)30(3)35(5,32)33)25(31)27-22(21(26)16-34-4)12-18-9-7-6-8-10-18/h6-10,13-14,17,20-22H,11-12,15-16,26H2,1-5H3,(H,27,31)/t17-,20+,21-,22-/m0/s1 PERYOEDVWFOENR-XGARDCMYSA-N 16685 N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 24 Beta-secretase 1 Homo sapiens 12 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16748452 46516913 ZINC14961875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30265 COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C InChI=1S/C27H41N5O4S/c1-18(2)37(34,35)32(5)26-15-21(14-25(30-26)31(4)16-22-12-19(22)3)27(33)29-24(23(28)17-36-6)13-20-10-8-7-9-11-20/h7-11,14-15,18-19,22-24H,12-13,16-17,28H2,1-6H3,(H,29,33)/t19-,22+,23-,24-/m0/s1 YPMRCKYXIASEOW-UQAQOTMJSA-N 16686 N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-methylpropane-2-sulfonamido)pyridine-4-carboxamide::isonicotinamide, 25 Beta-secretase 1 Homo sapiens 24 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647393 46516914 ZINC14961879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30266 CCOC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C InChI=1S/C28H43N5O4S/c1-7-37-18-24(29)25(14-21-11-9-8-10-12-21)30-28(34)22-15-26(32(5)17-23-13-20(23)4)31-27(16-22)33(6)38(35,36)19(2)3/h8-12,15-16,19-20,23-25H,7,13-14,17-18,29H2,1-6H3,(H,30,34)/t20-,23+,24-,25-/m0/s1 XMJFCPSVBYPKJQ-PQVVKJAFSA-N 16687 N-[(2S,3R)-3-amino-4-ethoxy-1-phenylbutan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-methylpropane-2-sulfonamido)pyridine-4-carboxamide::isonicotinamide, 26 Beta-secretase 1 Homo sapiens 24 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647394 46516915 ZINC14961883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30267 COCCN(C[C@H]1C[C@@H]1C)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)COC InChI=1S/C29H45N5O5S/c1-20(2)40(36,37)33(4)27-16-23(17-28(32-27)34(12-13-38-5)18-24-14-21(24)3)29(35)31-26(25(30)19-39-6)15-22-10-8-7-9-11-22/h7-11,16-17,20-21,24-26H,12-15,18-19,30H2,1-6H3,(H,31,35)/t21-,24+,25-,26-/m0/s1 MFHZKDPQWMOWSP-QUKDMSEQSA-N 16688 N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[(2-methoxyethyl)({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-methylpropane-2-sulfonamido)pyridine-4-carboxamide::isonicotinamide, 27 Beta-secretase 1 Homo sapiens 6 37.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.12.051 10.7270/Q2CF9NCQ 17257835 aid1797547 Stauffer, SR; Stanton, MG; Gregro, AR; Steinbeiser, MA; Shaffer, JR; Nantermet, PG; Barrow, JC; Rittle, KE; Collusi, D; Espeseth, AS; Lai, MT; Pietrak, BL; Holloway, MK; McGaughey, GB; Munshi, SK; Hochman, JH; Simon, AJ; Selnick, HG; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16725908 46516916 ZINC14961887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30268 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C27H30FN3O5S/c1-18(20-9-11-23(28)12-10-20)29-26(33)21-14-22(16-25(15-21)31(2)37(3,35)36)27(34)30-24(17-32)13-19-7-5-4-6-8-19/h4-12,14-16,18,24,32H,13,17H2,1-3H3,(H,29,33)(H,30,34)/t18-,24+/m1/s1 BDWVOWRQSIGIGX-KOSHJBKYSA-N 16689 1,3,5-trisubstituted aromatic scaffold, 2a::1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::CHEMBL380257 Beta-secretase 1 Homo sapiens 630 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647395 46516917 CHEMBL380257 ZINC14961891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30269 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C27H31FN4O4S/c1-18(20-9-11-23(28)12-10-20)30-26(33)21-14-22(16-25(15-21)32(2)37(3,35)36)27(34)31-24(17-29)13-19-7-5-4-6-8-19/h4-12,14-16,18,24H,13,17,29H2,1-3H3,(H,30,33)(H,31,34)/t18-,24+/m1/s1 YZEIFYCEDBCRSP-KOSHJBKYSA-N 16690 1,3,5-trisubstituted aromatic scaffold, 2b::1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide Beta-secretase 1 Homo sapiens 5900 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647396 46516918 ZINC14961895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30270 CC(C)CNC(=O)CNC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C33H42FN5O5S/c1-22(2)19-36-31(40)21-35-20-29(15-24-9-7-6-8-10-24)38-33(42)27-16-26(17-30(18-27)39(4)45(5,43)44)32(41)37-23(3)25-11-13-28(34)14-12-25/h6-14,16-18,22-23,29,35H,15,19-21H2,1-5H3,(H,36,40)(H,37,41)(H,38,42)/t23-,29+/m1/s1 DBCFJBGCSOIBHU-BTYSJIOQSA-N 16691 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)-3-N-[(2S)-1-({[(2-methylpropyl)carbamoyl]methyl}amino)-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4a Beta-secretase 1 Homo sapiens 117 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11273691 46509508 ZINC14961899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30271 CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C34H44FN5O5S/c1-22(2)20-37-32(41)24(4)36-21-30(16-25-10-8-7-9-11-25)39-34(43)28-17-27(18-31(19-28)40(5)46(6,44)45)33(42)38-23(3)26-12-14-29(35)15-13-26/h7-15,17-19,22-24,30,36H,16,20-21H2,1-6H3,(H,37,41)(H,38,42)(H,39,43)/t23-,24+,30+/m1/s1 FZTXBRKPIRTQCY-QEGDFHJFSA-N 16692 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)-3-N-[(2S)-1-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4b Beta-secretase 1 Homo sapiens 8 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search IXS 2QZL 23644701 46509509 ZINC24926684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30272 CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C35H46FN5O5S/c1-7-32(35(44)38-21-23(2)3)37-22-30(17-25-11-9-8-10-12-25)40-34(43)28-18-27(19-31(20-28)41(5)47(6,45)46)33(42)39-24(4)26-13-15-29(36)16-14-26/h8-16,18-20,23-24,30,32,37H,7,17,21-22H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t24-,30+,32+/m1/s1 OXNIXFINCUNSFG-BECIOFCFSA-N 16693 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)-3-N-[(2S)-1-{[(1S)-1-[(2-methylpropyl)carbamoyl]propyl]amino}-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 2::psi[CH2NH] reduced amide isostere, 4c Beta-secretase 1 Homo sapiens 7 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11273865 46516503 ZINC34803886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30273 CCC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C36H48FN5O5S/c1-7-11-33(36(45)39-22-24(2)3)38-23-31(18-26-12-9-8-10-13-26)41-35(44)29-19-28(20-32(21-29)42(5)48(6,46)47)34(43)40-25(4)27-14-16-30(37)17-15-27/h8-10,12-17,19-21,24-25,31,33,38H,7,11,18,22-23H2,1-6H3,(H,39,45)(H,40,43)(H,41,44)/t25-,31+,33+/m1/s1 SRYUGNXSYKZULC-JDRBWAEDSA-N 16694 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)-3-N-[(2S)-1-{[(1S)-1-[(2-methylpropyl)carbamoyl]butyl]amino}-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4d Beta-secretase 1 Homo sapiens 4 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11262463 46516504 ZINC34803881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30274 CC(C)CNC(=O)[C@H](CCO)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C35H46FN5O6S/c1-23(2)21-38-35(45)32(15-16-42)37-22-30(17-25-9-7-6-8-10-25)40-34(44)28-18-27(19-31(20-28)41(4)48(5,46)47)33(43)39-24(3)26-11-13-29(36)14-12-26/h6-14,18-20,23-24,30,32,37,42H,15-17,21-22H2,1-5H3,(H,38,45)(H,39,43)(H,40,44)/t24-,30+,32+/m1/s1 DGZGORIQGMCMGV-BECIOFCFSA-N 16695 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-{[(1S)-3-hydroxy-1-[(2-methylpropyl)carbamoyl]propyl]amino}-3-phenylpropan-2-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4e Beta-secretase 1 Homo sapiens 13 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342913 46509510 ZINC34803883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30275 CC(C)CNC(=O)[C@H](CCS(C)(=O)=O)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C36H48FN5O7S2/c1-24(2)22-39-36(45)33(16-17-50(5,46)47)38-23-31(18-26-10-8-7-9-11-26)41-35(44)29-19-28(20-32(21-29)42(4)51(6,48)49)34(43)40-25(3)27-12-14-30(37)15-13-27/h7-15,19-21,24-25,31,33,38H,16-18,22-23H2,1-6H3,(H,39,45)(H,40,43)(H,41,44)/t25-,31+,33+/m1/s1 SJBMDVVYJCULOW-JDRBWAEDSA-N 16696 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-{[(1S)-3-methanesulfonyl-1-[(2-methylpropyl)carbamoyl]propyl]amino}-3-phenylpropan-2-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4f Beta-secretase 1 Homo sapiens 13 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11193493 46516506 ZINC95606905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30276 CCNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C32H40FN5O5S/c1-6-34-30(39)22(3)35-20-28(16-23-10-8-7-9-11-23)37-32(41)26-17-25(18-29(19-26)38(4)44(5,42)43)31(40)36-21(2)24-12-14-27(33)15-13-24/h7-15,17-19,21-22,28,35H,6,16,20H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t21-,22+,28+/m1/s1 IMMRYWIKOQDHDP-WENCSYSZSA-N 16697 1-N-[(2S)-1-{[(1S)-1-(ethylcarbamoyl)ethyl]amino}-3-phenylpropan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4g Beta-secretase 1 Homo sapiens 52 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11399412 46516922 ZINC14961903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30277 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 InChI=1S/C33H40FN5O5S/c1-21(24-10-12-27(34)13-11-24)36-32(41)25-17-26(19-30(18-25)39(3)45(4,43)44)33(42)38-29(16-23-8-6-5-7-9-23)20-35-22(2)31(40)37-28-14-15-28/h5-13,17-19,21-22,28-29,35H,14-16,20H2,1-4H3,(H,36,41)(H,37,40)(H,38,42)/t21-,22+,29+/m1/s1 OKZQHKPYNKHJKC-BXOOBUKZSA-N 16698 1-N-[(2S)-1-{[(1S)-1-(cyclopropylcarbamoyl)ethyl]amino}-3-phenylpropan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4h Beta-secretase 1 Homo sapiens 24 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11479212 46516923 ZINC34803892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30278 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C37H42FN5O5S/c1-25(29-15-17-32(38)18-16-29)41-36(45)30-20-31(22-34(21-30)43(3)49(4,47)48)37(46)42-33(19-27-11-7-5-8-12-27)24-39-26(2)35(44)40-23-28-13-9-6-10-14-28/h5-18,20-22,25-26,33,39H,19,23-24H2,1-4H3,(H,40,44)(H,41,45)(H,42,46)/t25-,26+,33+/m1/s1 LJFISZVCRAOHJW-GJCZEXATSA-N 16699 1-N-[(2S)-1-{[(1S)-1-(benzylcarbamoyl)ethyl]amino}-3-phenylpropan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::psi[CH2NH] reduced amide isostere, 4i Beta-secretase 1 Homo sapiens 139 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11787283 46516507 ZINC34803895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30279 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)N1CCCC1C(O)=O InChI=1S/C35H42FN5O7S/c1-22(25-12-14-28(36)15-13-25)38-32(42)26-18-27(20-30(19-26)40(3)49(4,47)48)33(43)39-29(17-24-9-6-5-7-10-24)21-37-23(2)34(44)41-16-8-11-31(41)35(45)46/h5-7,9-10,12-15,18-20,22-23,29,31,37H,8,11,16-17,21H2,1-4H3,(H,38,42)(H,39,43)(H,45,46)/t22-,23+,29+,31?/m1/s1 ROHLWINGUSSOET-BLXFQCPISA-N 16700 1-[(2S)-2-{[(2S)-2-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)formamido]-3-phenylpropyl]amino}propanoyl]pyrrolidine-2-carboxylic acid::psi[CH2NH] reduced amide isostere, 4j Beta-secretase 1 Homo sapiens 17200 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644702 46509511 ZINC96300124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30280 CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O InChI=1S/C31H44N4O4S/c1-21(2)19-33-30(36)23(4)32-20-28(16-24-10-8-7-9-11-24)34-31(37)27-15-25(12-13-26-14-22(26)3)17-29(18-27)35(5)40(6,38)39/h7-13,15,17-18,21-23,26,28,32H,14,16,19-20H2,1-6H3,(H,33,36)(H,34,37)/b13-12-/t22-,23-,26-,28-/m0/s1 WIUYVKADJGANRE-BXCURVOVSA-N 16701 (2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl]-5-(N-methylmethanesulfonamido)phenyl}formamido)-3-phenylpropyl]amino}-N-(2-methylpropyl)propanamide::N-[(1S)-1-benzyl-2-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)ethyl]-3-{(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl}-5-[methyl(methylsulfonyl)amino]benzamide::Reduced amide inhibitor 9 Beta-secretase 1 Homo sapiens 20 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.04.076 10.7270/Q27P8WN0 16690314 aid1797548 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342097 46516926 ZINC14961907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30281 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/p+1/t18-,28-/m1/s1 QEJSJQVKMSAHHX-KWMCUTETSA-O 16702 (2R)-2-[5-(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-aminium::(2R)-2-[5-(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]phenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-aminium::tertiary carbinamine, 1 Beta-secretase 1 Homo sapiens 42.4 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.11.003 10.7270/Q23X84W6 17112725 aid1797549 McGaughey, GB; Colussi, D; Graham, SL; Lai, MT; Munshi, SK; Nantermet, PG; Pietrak, B; Rajapakse, HA; Selnick, HG; Stauffer, SR; Holloway, MK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647397 46516927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30282 CC(C)C(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O InChI=1S/C23H28N4O4S/c1-15(2)20(28)17-11-18(13-19(12-17)27(4)32(5,29)30)21-25-26-22(31-21)23(3,24)14-16-9-7-6-8-10-16/h6-13,15H,14,24H2,1-5H3/p+1/t23-/m1/s1 QDDYTSPHESIQJC-HSZRJFAPSA-O 16703 (2R)-2-(5-{3-[methyl(methylsulfonyl)amino]-5-(2-methylpropanoyl)phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::(2R)-2-{5-[3-(N-methylmethanesulfonamido)-5-(2-methylpropanoyl)phenyl]-1,3,4-oxadiazol-2-yl}-1-phenylpropan-2-aminium::tertiary carbinamine, 2 Beta-secretase 1 Homo sapiens 16500 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.11.003 10.7270/Q23X84W6 17112725 aid1797549 McGaughey, GB; Colussi, D; Graham, SL; Lai, MT; Munshi, SK; Nantermet, PG; Pietrak, B; Rajapakse, HA; Selnick, HG; Stauffer, SR; Holloway, MK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647398 46516928 ZINC14961911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30283 CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O InChI=1S/C27H34N4O3S/c1-5-13-31(35(4,32)33)24-16-21(11-12-22-14-19(22)2)15-23(17-24)25-29-30-26(34-25)27(3,28)18-20-9-7-6-8-10-20/h6-12,15-17,19,22H,5,13-14,18,28H2,1-4H3/p+1/b12-11-/t19?,22?,27-/m1/s1 ATBRTKCWBKAENR-AHVFUXJKSA-O 16704 (2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-5-(N-propylmethanesulfonamido)phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::(2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-5-[(methylsulfonyl)(propyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::tertiary carbinamine, 3 Beta-secretase 1 Homo sapiens 51.9 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.11.003 10.7270/Q23X84W6 17112725 aid1797549 McGaughey, GB; Colussi, D; Graham, SL; Lai, MT; Munshi, SK; Nantermet, PG; Pietrak, B; Rajapakse, HA; Selnick, HG; Stauffer, SR; Holloway, MK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647399 46516929 ZINC14961919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30284 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 InChI=1S/C33H32N2O4/c1-22(25-13-7-4-8-14-25)34-32(38)27-18-26(31-16-10-9-15-30(31)23(2)37)19-28(20-27)33(39)35-29(21-36)17-24-11-5-3-6-12-24/h3-16,18-20,22,29,36H,17,21H2,1-2H3,(H,34,38)(H,35,39)/t22-,29+/m1/s1 NSLGAHAKEFYCED-MNNSJKJDSA-N 16705 5-(2-acetylphenyl)-1-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 14 Beta-secretase 1 Homo sapiens 9900 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647400 46516930 ZINC14961924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30285 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC=C)c1ccccc1 InChI=1S/C37H39N3O4/c1-4-19-38-24-35(42)34(20-27-13-7-5-8-14-27)40-37(44)31-22-29(33-18-12-11-17-32(33)26(3)41)21-30(23-31)36(43)39-25(2)28-15-9-6-10-16-28/h4-18,21-23,25,34-35,38,42H,1,19-20,24H2,2-3H3,(H,39,43)(H,40,44)/t25-,34+,35-/m1/s1 GULAPJDRPMVCLU-XOUBVTBXSA-N 16706 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(prop-2-en-1-ylamino)butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 15 Beta-secretase 1 Homo sapiens 223 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647401 46516931 ZINC14961928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30286 CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C37H41N3O4/c1-24(2)38-23-35(42)34(19-27-13-7-5-8-14-27)40-37(44)31-21-29(33-18-12-11-17-32(33)26(4)41)20-30(22-31)36(43)39-25(3)28-15-9-6-10-16-28/h5-18,20-22,24-25,34-35,38,42H,19,23H2,1-4H3,(H,39,43)(H,40,44)/t25-,34+,35-/m1/s1 SROVMDPTGATTQB-XOUBVTBXSA-N 16707 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(propan-2-ylamino)butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 16 Beta-secretase 1 Homo sapiens 674 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647402 46516932 ZINC14961933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30287 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C37H39N3O4/c1-24(27-13-7-4-8-14-27)39-36(43)29-20-28(33-16-10-9-15-32(33)25(2)41)21-30(22-29)37(44)40-34(19-26-11-5-3-6-12-26)35(42)23-38-31-17-18-31/h3-16,20-22,24,31,34-35,38,42H,17-19,23H2,1-2H3,(H,39,43)(H,40,44)/t24-,34+,35-/m1/s1 YDVHOBYFWTVXDV-LYORWDPXSA-N 16708 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 17 Beta-secretase 1 Homo sapiens 317 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647403 46516933 ZINC14961937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30288 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CC1)c1ccccc1 InChI=1S/C38H41N3O4/c1-25(29-13-7-4-8-14-29)40-37(44)31-20-30(34-16-10-9-15-33(34)26(2)42)21-32(22-31)38(45)41-35(19-27-11-5-3-6-12-27)36(43)24-39-23-28-17-18-28/h3-16,20-22,25,28,35-36,39,43H,17-19,23-24H2,1-2H3,(H,40,44)(H,41,45)/t25-,35+,36-/m1/s1 HLEGKFDICBONCR-ZGEQKSCTSA-N 16709 1-N-[(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 18 Beta-secretase 1 Homo sapiens 418 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644703 46509512 ZINC14961942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30289 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC1)c1ccccc1 InChI=1S/C38H41N3O4/c1-25(28-14-7-4-8-15-28)40-37(44)30-21-29(34-19-10-9-18-33(34)26(2)42)22-31(23-30)38(45)41-35(20-27-12-5-3-6-13-27)36(43)24-39-32-16-11-17-32/h3-10,12-15,18-19,21-23,25,32,35-36,39,43H,11,16-17,20,24H2,1-2H3,(H,40,44)(H,41,45)/t25-,35+,36-/m1/s1 PAYKUQGXTSZBRO-ZGEQKSCTSA-N 16710 1-N-[(2S,3R)-4-(cyclobutylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 19 Beta-secretase 1 Homo sapiens 1400 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644704 46509513 ZINC14961946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30290 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)c1ccccc1 InChI=1S/C41H41N3O4/c1-28(32-18-10-5-11-19-32)43-40(47)34-23-33(37-21-13-12-20-36(37)29(2)45)24-35(25-34)41(48)44-38(22-30-14-6-3-7-15-30)39(46)27-42-26-31-16-8-4-9-17-31/h3-21,23-25,28,38-39,42,46H,22,26-27H2,1-2H3,(H,43,47)(H,44,48)/t28-,38+,39-/m1/s1 QVSYCYGRFYNDEY-QKUWUUDNSA-N 16711 1-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 20 Beta-secretase 1 Homo sapiens 115 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644705 46509514 ZINC28968354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30291 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)c1ccccc1 InChI=1S/C40H39N3O4/c1-27(30-16-8-4-9-17-30)42-39(46)32-23-31(36-21-13-12-20-35(36)28(2)44)24-33(25-32)40(47)43-37(22-29-14-6-3-7-15-29)38(45)26-41-34-18-10-5-11-19-34/h3-21,23-25,27,37-38,41,45H,22,26H2,1-2H3,(H,42,46)(H,43,47)/t27-,37+,38-/m1/s1 HIUMDZMSWXEDAV-IBBVPZAZSA-N 16712 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(phenylamino)butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 21 Beta-secretase 1 Homo sapiens 110 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644706 46509515 ZINC14961950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30292 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 InChI=1S/C42H43N3O4/c1-28(32-17-9-5-10-18-32)43-27-40(47)39(23-31-15-7-4-8-16-31)45-42(49)36-25-34(38-22-14-13-21-37(38)30(3)46)24-35(26-36)41(48)44-29(2)33-19-11-6-12-20-33/h4-22,24-26,28-29,39-40,43,47H,23,27H2,1-3H3,(H,44,48)(H,45,49)/t28-,29+,39-,40+/m0/s1 OBKDIQQFGPQSMU-SFYOCGBSSA-N 16713 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[(1S)-1-phenylethyl]amino}butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 22 Beta-secretase 1 Homo sapiens 115 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644707 46509516 ZINC28968360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30293 C[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 InChI=1S/C42H43N3O4/c1-28(32-17-9-5-10-18-32)43-27-40(47)39(23-31-15-7-4-8-16-31)45-42(49)36-25-34(38-22-14-13-21-37(38)30(3)46)24-35(26-36)41(48)44-29(2)33-19-11-6-12-20-33/h4-22,24-26,28-29,39-40,43,47H,23,27H2,1-3H3,(H,44,48)(H,45,49)/t28-,29-,39+,40-/m1/s1 OBKDIQQFGPQSMU-JYBRIGHHSA-N 16714 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 23 Beta-secretase 1 Homo sapiens 348 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644708 46509517 ZINC28968376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30294 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C)Cc1ccccc1)c1ccccc1 InChI=1S/C42H43N3O4/c1-29(33-19-11-6-12-20-33)43-41(48)35-24-34(38-22-14-13-21-37(38)30(2)46)25-36(26-35)42(49)44-39(23-31-15-7-4-8-16-31)40(47)28-45(3)27-32-17-9-5-10-18-32/h4-22,24-26,29,39-40,47H,23,27-28H2,1-3H3,(H,43,48)(H,44,49)/t29-,39+,40-/m1/s1 FDKPPPRYYPDLJW-GHJOZJBHSA-N 16715 1-N-[(2S,3R)-4-[benzyl(methyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 24 Beta-secretase 1 Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647310 46516508 ZINC28968381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30295 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC1)c1ccccc1 InChI=1S/C37H39N3O4/c1-25(28-14-7-4-8-15-28)38-36(43)30-21-29(33-17-10-9-16-32(33)26(2)41)22-31(23-30)37(44)39-34(20-27-12-5-3-6-13-27)35(42)24-40-18-11-19-40/h3-10,12-17,21-23,25,34-35,42H,11,18-20,24H2,1-2H3,(H,38,43)(H,39,44)/t25-,34+,35-/m1/s1 VRASTFXCOUXZEC-XOUBVTBXSA-N 16716 1-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 25 Beta-secretase 1 Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.10.051 10.7270/Q2057D56 17107793 aid1797550 Katharine Holloway, M; McGaughey, GB; Coburn, CA; Stachel, SJ; Jones, KG; Stanton, EL; Gregro, AR; Lai, MT; Crouthamel, MC; Pietrak, BL; Munshi, SK Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647406 46516937 ZINC14961954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30296 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30297 CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C35H46FN5O5S/c1-7-32(35(44)38-21-23(2)3)37-22-30(17-25-11-9-8-10-12-25)40-34(43)28-18-27(19-31(20-28)41(5)47(6,45)46)33(42)39-24(4)26-13-15-29(36)16-14-26/h8-16,18-20,23-24,30,32,37H,7,17,21-22H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t24-,30+,32+/m1/s1 OXNIXFINCUNSFG-BECIOFCFSA-N 16693 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)-3-N-[(2S)-1-{[(1S)-1-[(2-methylpropyl)carbamoyl]propyl]amino}-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 2::psi[CH2NH] reduced amide isostere, 4c Beta-secretase 1 Homo sapiens 7 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11273865 46516503 ZINC34803886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30298 CNC(=O)c1cc(cc(c1)C(=O)NC(CO)Cc1cccc(OC)c1)N(C)S(C)(=O)=O InChI=1S/C21H27N3O6S/c1-22-20(26)15-10-16(12-18(11-15)24(2)31(4,28)29)21(27)23-17(13-25)8-14-6-5-7-19(9-14)30-3/h5-7,9-12,17,25H,8,13H2,1-4H3,(H,22,26)(H,23,27) FCLBNUWJCDRNBW-UHFFFAOYSA-N 16717 1-N-[1-hydroxy-3-(3-methoxyphenyl)propan-2-yl]-3-N-methyl-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 3 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647407 46516938 ZINC10339549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30299 CN(c1cc2cc(c1)C(=O)NC(CO)Cc1cccc(OCCNC2=O)c1)S(C)(=O)=O InChI=1S/C21H25N3O6S/c1-24(31(2,28)29)18-11-15-10-16(12-18)21(27)23-17(13-25)8-14-4-3-5-19(9-14)30-7-6-22-20(15)26/h3-5,9-12,17,25H,6-8,13H2,1-2H3,(H,22,26)(H,23,27) LMMXTDKCHMQGJA-UHFFFAOYSA-N 16718 N-[4-(hydroxymethyl)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.16,10]henicosa-1(20),6(21),7,9,16,18-hexaen-18-yl]-N-methylmethanesulfonamide::N-[4-(hydroxymethyl)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.1^{6,10}]henicosa-1(20),6,8,10(21),16,18-hexaen-18-yl]-N-methylmethanesulfonamide::macrocyclic BACE inhibitor, 4 Beta-secretase 1 Homo sapiens 2900 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647408 46516939 ZINC14961959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30300 CC[C@H](NCC1Cc2cccc(OCCNC(=O)c3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C InChI=1S/C29H41N5O6S/c1-6-26(29(37)32-17-19(2)3)31-18-23-12-20-8-7-9-25(13-20)40-11-10-30-27(35)21-14-22(28(36)33-23)16-24(15-21)34(4)41(5,38)39/h7-9,13-16,19,23,26,31H,6,10-12,17-18H2,1-5H3,(H,30,35)(H,32,37)(H,33,36)/t23?,26-/m0/s1 YORBZAOAAOMNJG-NASUQTAISA-N 16719 (2S)-2-({[18-(N-methylmethanesulfonamido)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.1^{6,10}]henicosa-1(20),6,8,10(21),16,18-hexaen-4-yl]methyl}amino)-N-(2-methylpropyl)butanamide::(2S)-2-[({18-[methyl(methylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.16,10]henicosa-1(20),6(21),7,9,16,18-hexaen-4-yl}methyl)amino]-N-(2-methylpropyl)butanamide::1:1 mixture of diastereomers at the tyrosinyl center.::macrocyclic BACE inhibitor, 10 Beta-secretase 1 Homo sapiens 32 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647409 46516940 ZINC14961964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30301 CC[C@H](NCC1Cc2cccc(CCCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C InChI=1S/C31H46N4O4S/c1-6-29(31(37)33-20-22(2)3)32-21-27-17-24-14-10-13-23(15-24)11-8-7-9-12-25-16-26(30(36)34-27)19-28(18-25)35(4)40(5,38)39/h10,13-16,18-19,22,27,29,32H,6-9,11-12,17,20-21H2,1-5H3,(H,33,37)(H,34,36)/t27?,29-/m0/s1 ZGISDIPGHIYETP-ACEFPKFPSA-N 16720 (2S)-2-({[18-(N-methylmethanesulfonamido)-2-oxo-3-azatricyclo[14.3.1.1^{6,10}]henicosa-1(20),6,8,10(21),16,18-hexaen-4-yl]methyl}amino)-N-(2-methylpropyl)butanamide::(2S)-2-[({18-[methyl(methylsulfonyl)amino]-2-oxo-3-azatricyclo[14.3.1.16,10]henicosa-1(20),6(21),7,9,16,18-hexaen-4-yl}methyl)amino]-N-(2-methylpropyl)butanamide::macrocyclic BACE inhibitor, 11 Beta-secretase 1 Homo sapiens 1100 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647410 46516941 ZINC14961972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30302 CC[C@H](NCC1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C InChI=1S/C30H44N4O4S/c1-6-28(30(36)32-19-21(2)3)31-20-26-16-23-13-9-12-22(14-23)10-7-8-11-24-15-25(29(35)33-26)18-27(17-24)34(4)39(5,37)38/h9,12-15,17-18,21,26,28,31H,6-8,10-11,16,19-20H2,1-5H3,(H,32,36)(H,33,35)/t26?,28-/m0/s1 ABGNOCQONIAVFH-RXBHZZDJSA-N 16721 (2S)-2-({[17-(N-methylmethanesulfonamido)-2-oxo-3-azatricyclo[13.3.1.1^{6,10}]icosa-1(19),6,8,10(20),15,17-hexaen-4-yl]methyl}amino)-N-(2-methylpropyl)butanamide::macrocyclic BACE inhibitor, 12 Beta-secretase 1 Homo sapiens 90 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647411 46516942 ZINC14961980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30303 CCCC[C@H](NC[C@@H]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC)S(C)(=O)=O)c2)C(=O)NCC(C)C InChI=1S/C34H52N4O4S/c1-6-8-16-32(34(40)36-23-25(3)4)35-24-30-20-27-15-11-14-26(18-27)12-9-10-13-28-19-29(33(39)37-30)22-31(21-28)38(17-7-2)43(5,41)42/h11,14-15,18-19,21-22,25,30,32,35H,6-10,12-13,16-17,20,23-24H2,1-5H3,(H,36,40)(H,37,39)/t30-,32-/m0/s1 JRTACURQOKVHSE-CDZUIXILSA-N 16722 (2S)-N-(2-methylpropyl)-2-({[(4S)-2-oxo-17-(N-propylmethanesulfonamido)-3-azatricyclo[13.3.1.1^{6,10}]icosa-1(19),6,8,10(20),15,17-hexaen-4-yl]methyl}amino)hexanamide::N-(2-methylpropyl)-N2-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide::macrocyclic BACE inhibitor, 19 Beta-secretase 1 Homo sapiens 4 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060884i 10.7270/Q2VD6WQZ 17034118 aid1797551 Stachel, SJ; Coburn, CA; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, M; Pietrak, BL; Huang, Q; Lineberger, J; Espeseth, AS; Jin, L; Ellis, J; Holloway, MK; Munshi, S; Allison, T; Hazuda, D; Simon, AJ; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search L4J 6NW3 11606910 46509518 ZINC14961984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30304 Brc1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C21H19BrN2O2/c22-16-8-9-20(24-10-12-26-13-11-24)19(14-16)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25) KSKVKWGASXQZCE-UHFFFAOYSA-N 16723 N-[5-bromo-2-(morpholin-4-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3a Beta-secretase 1 Homo sapiens >20000 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11596715 46516943 ZINC14961988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30305 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 InChI=1S/C26H28BrN3O3/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)23-12-11-19(27)17-22(23)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,13-16H2,1-3H3,(H,28,31) YJJFMJAXEJFWKZ-UHFFFAOYSA-N 16724 CHEMBL381618::Naphthyl Compound, 3b::tert-butyl 4-[4-bromo-2-(naphthalene-1-amido)phenyl]piperazine-1-carboxylate Beta-secretase 1 Homo sapiens >1000 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11569760 46516944 CHEMBL381618 ZINC14961992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30306 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33) BCYCHJAJECYNPU-UHFFFAOYSA-N 16725 CHEMBL380521::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3c Beta-secretase 1 Homo sapiens >5000 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11496999 46516945 CHEMBL380521 ZINC14961995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30307 Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26) SWKYODCETJXWLS-UHFFFAOYSA-N 16726 CHEMBL203120::N-[5-bromo-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3d Beta-secretase 1 Homo sapiens 1000 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11531641 46516946 CHEMBL203120 ZINC14961999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30308 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 InChI=1S/C23H24BrN3O2/c24-18-8-9-22(27-12-10-26(11-13-27)14-15-28)21(16-18)25-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,28H,10-15H2,(H,25,29) ZCKPVEIERKHFSL-UHFFFAOYSA-N 16727 N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}naphthalene-1-carboxamide::Naphthyl Compound, 3e Beta-secretase 1 Homo sapiens 79 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11676832 46516947 ZINC14962003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30309 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C34H31N3O/c38-34(31-17-9-15-28-14-7-8-16-30(28)31)35-32-24-29(27-12-5-2-6-13-27)18-19-33(32)37-22-20-36(21-23-37)25-26-10-3-1-4-11-26/h1-19,24H,20-23,25H2,(H,35,38) ABOBTXLSWCANMO-UHFFFAOYSA-N 16728 N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide::Naphthyl Compound, 4c Beta-secretase 1 Homo sapiens 1250 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11584133 46516948 ZINC14962007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30310 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31) LGCAWTUFLILYSL-UHFFFAOYSA-N 16729 N-[5-phenyl-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 4d Beta-secretase 1 Homo sapiens 300 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647412 46516949 ZINC14962012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30311 OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34) ZKWUJSYYFUCRNZ-UHFFFAOYSA-N 16730 N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl}naphthalene-1-carboxamide::Naphthyl Compound, 5a Beta-secretase 1 Homo sapiens 110 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633817 46516950 ZINC14962015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30312 CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C31H31N3O3/c1-2-37-30(35)22-33-17-19-34(20-18-33)29-16-15-25(23-9-4-3-5-10-23)21-28(29)32-31(36)27-14-8-12-24-11-6-7-13-26(24)27/h3-16,21H,2,17-20,22H2,1H3,(H,32,36) VELNTZUBONHZJA-UHFFFAOYSA-N 16731 Naphthyl Compound, 5b::ethyl 2-{4-[2-(naphthalene-1-amido)-4-phenylphenyl]piperazin-1-yl}acetate Beta-secretase 1 Homo sapiens 90 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11511564 46516951 ZINC14962018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30313 O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C40H38N4O3/c45-38(33-19-11-15-30-14-5-6-16-32(30)33)41-36-28-31(29-12-3-1-4-13-29)20-21-37(36)43-26-24-42(25-27-43)22-9-2-10-23-44-39(46)34-17-7-8-18-35(34)40(44)47/h1,3-8,11-21,28H,2,9-10,22-27H2,(H,41,45) HQMXPAYDWPIZSY-UHFFFAOYSA-N 16732 1-{4-(Phenyl)-2-[(naphthalene-1-carbonyl)-amino]-phenyl}-4-[1-(5-phthalimido)-pentyl]-piperazine::N-(2-{4-[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::Naphthyl Compound, 5c Beta-secretase 1 Homo sapiens 100 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11700105 46516952 ZINC14962022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30314 NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37) PZHWVACDFBHKQI-UHFFFAOYSA-N 16733 4-[1-(5-Amino)-pentyl]-1-{4-(phenyl)-2-[(naphthalene-1-carbonyl)-amino]-phenyl}-piperazine::N-{2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl}naphthalene-1-carboxamide::Naphthyl Compound, 5d Beta-secretase 1 Homo sapiens 68 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11620172 46516953 ZINC14962026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30315 O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m0/s1 KLXPIHNTOUDGPI-DHUJRADRSA-N 16734 N-(2-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::N-(4-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}biphenyl-3-yl)naphthalene-1-carboxamide::Naphthyl Compound, 5e Beta-secretase 1 Homo sapiens 69 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526735 46516954 ZINC14962030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30316 O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m1/s1 KLXPIHNTOUDGPI-PGUFJCEWSA-N 16735 N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::N-(4-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}biphenyl-3-yl)naphthalene-1-carboxamide::Naphthyl Compound, 5f Beta-secretase 1 Homo sapiens 46 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11555685 46516955 ZINC14962034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30317 O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38) RQXROFWMWOCDPZ-UHFFFAOYSA-N 16736 N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide::Naphthyl Compound, 6a Beta-secretase 1 Homo sapiens 79 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11613176 46516956 ZINC14962038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30318 O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C35H37N3O2S2/c39-34(16-7-5-13-29-19-24-41-42-29)38-22-20-37(21-23-38)33-18-17-28(26-9-2-1-3-10-26)25-32(33)36-35(40)31-15-8-12-27-11-4-6-14-30(27)31/h1-4,6,8-12,14-15,17-18,25,29H,5,7,13,16,19-24H2,(H,36,40) AHMSLYTXWAPXRM-UHFFFAOYSA-N 16737 N-(2-{4-[5-(1,2-dithiolan-3-yl)pentanoyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::Naphthyl Compound, 6b Beta-secretase 1 Homo sapiens 3800 7.5 25.00 C Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11498047 46516957 ZINC14962047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30319 Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C20H17BrN2O4/c21-14-5-6-17(23-7-9-26-10-8-23)16(12-14)22-19(24)15-11-13-3-1-2-4-18(13)27-20(15)25/h1-6,11-12H,7-10H2,(H,22,24) DKJKFQQPHPZGBD-UHFFFAOYSA-N 16738 Coumarin Compound, 9a::N-[5-bromo-2-(morpholin-4-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11575549 46516958 ZINC14962053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30320 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)20-9-8-17(26)15-19(20)27-22(30)18-14-16-6-4-5-7-21(16)33-23(18)31/h4-9,14-15H,10-13H2,1-3H3,(H,27,30) NKNJPZKXSPBIFO-UHFFFAOYSA-N 16739 CHEMBL207083::Coumarin Compound, 9b::tert-butyl 4-{4-bromo-2-[(2-oxo-2H-chromene-3-)amido]phenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11512055 46516959 CHEMBL207083 ZINC14962057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30321 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C27H24BrN3O3/c28-21-10-11-24(31-14-12-30(13-15-31)18-19-6-2-1-3-7-19)23(17-21)29-26(32)22-16-20-8-4-5-9-25(20)34-27(22)33/h1-11,16-17H,12-15,18H2,(H,29,32) RVLRVRRSGYQIIQ-UHFFFAOYSA-N 16740 CHEMBL206442::Coumarin Compound, 9c::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 760 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11699253 46516960 CHEMBL206442 ZINC14962061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30322 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C20H18BrN3O3/c21-14-5-6-17(24-9-7-22-8-10-24)16(12-14)23-19(25)15-11-13-3-1-2-4-18(13)27-20(15)26/h1-6,11-12,22H,7-10H2,(H,23,25) AYWFSFQSZQWRBS-UHFFFAOYSA-N 16741 2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide::CHEMBL1165089::CHEMBL381919::Coumarin Compound, 9d Beta-secretase 1 Homo sapiens 670 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526737 46516961 CHEMBL381919CHEMBL1165089 ZINC14962065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30323 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O InChI=1S/C22H22BrN3O4/c23-16-5-6-19(26-9-7-25(8-10-26)11-12-27)18(14-16)24-21(28)17-13-15-3-1-2-4-20(15)30-22(17)29/h1-6,13-14,27H,7-12H2,(H,24,28) OIXRHSBEQHAKPC-UHFFFAOYSA-N 16742 Coumarin Compound, 9e::N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 630 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11698518 46516962 ZINC14962069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30324 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12 InChI=1S/C21H19BrN2O5/c1-27-18-4-2-3-13-11-15(21(26)29-19(13)18)20(25)23-16-12-14(22)5-6-17(16)24-7-9-28-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25) DZIFZHPCJJNRDT-UHFFFAOYSA-N 16743 Coumarin Compound, 10a::N-[5-bromo-2-(morpholin-4-yl)phenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens >10000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11669760 46516963 ZINC14962073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30325 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12 InChI=1S/C26H28BrN3O6/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)20-9-8-17(27)15-19(20)28-23(31)18-14-16-6-5-7-21(34-4)22(16)35-24(18)32/h5-9,14-15H,10-13H2,1-4H3,(H,28,31) MRDWDHZSINJWSN-UHFFFAOYSA-N 16744 CHEMBL206854::Coumarin Compound, 10b::tert-butyl 4-{4-bromo-2-[(8-methoxy-2-oxo-2H-chromene-3-)amido]phenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens >1000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526916 46516964 CHEMBL206854 ZINC14962077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30326 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12 InChI=1S/C28H26BrN3O4/c1-35-25-9-5-8-20-16-22(28(34)36-26(20)25)27(33)30-23-17-21(29)10-11-24(23)32-14-12-31(13-15-32)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,30,33) ZKEDQDYNSHAHAO-UHFFFAOYSA-N 16745 CHEMBL381617::Coumarin Compound, 10c::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens >5000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526803 46516965 CHEMBL381617 ZINC14962081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30327 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12 InChI=1S/C21H20BrN3O4/c1-28-18-4-2-3-13-11-15(21(27)29-19(13)18)20(26)24-16-12-14(22)5-6-17(16)25-9-7-23-8-10-25/h2-6,11-12,23H,7-10H2,1H3,(H,24,26) VFYUOROBPBKAFN-UHFFFAOYSA-N 16746 2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide::CHEMBL1165583::CHEMBL206557::Coumarin Compound, 10d Beta-secretase 1 Homo sapiens 5000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621130 46516966 CHEMBL1165583CHEMBL206557 ZINC14962084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30328 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CCO)CC3)c(=O)oc12 InChI=1S/C23H24BrN3O5/c1-31-20-4-2-3-15-13-17(23(30)32-21(15)20)22(29)25-18-14-16(24)5-6-19(18)27-9-7-26(8-10-27)11-12-28/h2-6,13-14,28H,7-12H2,1H3,(H,25,29) NRUQTVOQUILFMC-UHFFFAOYSA-N 16747 Coumarin Compound, 10e::N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 1000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11497030 46516967 ZINC14962088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30329 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1NC(=O)c1cc2ccccc2oc1=O)-c1ccccc1 InChI=1S/C31H31N3O5/c1-31(2,3)39-30(37)34-17-15-33(16-18-34)26-14-13-22(21-9-5-4-6-10-21)20-25(26)32-28(35)24-19-23-11-7-8-12-27(23)38-29(24)36/h4-14,19-20H,15-18H2,1-3H3,(H,32,35) BRJABFAZOKDLSK-UHFFFAOYSA-N 16748 Coumarin Compound, 11b::tert-butyl 4-{2-[(2-oxo-2H-chromene-3-)amido]-4-phenylphenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 10000 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11720625 46516968 ZINC14962093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30330 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O InChI=1S/C33H29N3O3/c37-32(28-21-27-13-7-8-14-31(27)39-33(28)38)34-29-22-26(25-11-5-2-6-12-25)15-16-30(29)36-19-17-35(18-20-36)23-24-9-3-1-4-10-24/h1-16,21-22H,17-20,23H2,(H,34,37) FVSBUQCOCOEDJM-UHFFFAOYSA-N 16749 Coumarin Compound, 11c::N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 151 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11634931 46516969 ZINC14962097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30331 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cc2ccccc2oc1=O InChI=1S/C26H23N3O3/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29/h1-11,16-17,27H,12-15H2,(H,28,30) KHDMWLZSDRWJGD-UHFFFAOYSA-N 16750 2,2,2-trifluoroacetic acid; 2-oxo-N-[5-phenyl-2-(piperazin-1-yl)phenyl]-2H-chromene-3-carboxamide::CHEMBL1164612::Coumarin Compound, 11d Beta-secretase 1 Homo sapiens 580 Curated from the literature by BindingDB 10.1021/jm0602864 10.7270/Q2QN651G 16821787 aid1797552 Garino, C; Tomita, T; Pietrancosta, N; Laras, Y; Rosas, R; Herbette, G; Maigret, B; Quéléver, G; Iwatsubo, T; Kraus, JL Universite de la Mediterranee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11699482 46516970 CHEMBL1164612 ZINC14962101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30332 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1 InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24) WVLDNAVUCUAGDP-UHFFFAOYSA-N 16751 (N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide)::Acylguanidine, 7a::CHEMBL217068::N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide Beta-secretase 1 Homo sapiens 3700 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0607451 10.7270/Q2M043NG 17034121 aid1797554 Cole, DC; Manas, ES; Stock, JR; Condon, JS; Jennings, LD; Aulabaugh, A; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jin, G; Lin, L; Lovering, FE; Malamas, MS; Stahl, ML; Strand, J; Sukhdeo, MN; Svenson, K; Turner, MJ; Wagner, E; Wu, J; Zhou, P; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 251 2QU2 11290116 46516971 CHEMBL217068 DB06930 ZINC14962105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30333 NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28) FJIMRIOSHHZOSF-UHFFFAOYSA-N 16752 2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7b Beta-secretase 1 Homo sapiens 600 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0607451 10.7270/Q2M043NG 17034121 aid1797554 Cole, DC; Manas, ES; Stock, JR; Condon, JS; Jennings, LD; Aulabaugh, A; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jin, G; Lin, L; Lovering, FE; Malamas, MS; Stahl, ML; Strand, J; Sukhdeo, MN; Svenson, K; Turner, MJ; Wagner, E; Wu, J; Zhou, P; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16090342 46516972 ZINC14962109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30334 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) MIEKBLPHNQZVQQ-UHFFFAOYSA-N 16753 2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl]-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7c::CHEMBL253237::N-{2-[2-[4-(4-Acetyl-phenoxy)-phenyl]-5-(2-chloro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 160 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0607451 10.7270/Q2M043NG 17034121 aid1797554 Cole, DC; Manas, ES; Stock, JR; Condon, JS; Jennings, LD; Aulabaugh, A; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jin, G; Lin, L; Lovering, FE; Malamas, MS; Stahl, ML; Strand, J; Sukhdeo, MN; Svenson, K; Turner, MJ; Wagner, E; Wu, J; Zhou, P; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 310 2ZDZ 11583947 46516973 CHEMBL253237 ZINC14962112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30335 OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C26H34N4O2/c27-25(28-9-4-10-31)29-24(32)17-30-22(21-5-2-1-3-6-21)7-8-23(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-3,5-8,18-20,31H,4,9-17H2,(H3,27,28,29,32) CSKSXMSGBMJKQZ-UHFFFAOYSA-N 16754 2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]acetamide::Acylguanidine, 10b Beta-secretase 1 Homo sapiens 240 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0607451 10.7270/Q2M043NG 17034121 aid1797554 Cole, DC; Manas, ES; Stock, JR; Condon, JS; Jennings, LD; Aulabaugh, A; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jin, G; Lin, L; Lovering, FE; Malamas, MS; Stahl, ML; Strand, J; Sukhdeo, MN; Svenson, K; Turner, MJ; Wagner, E; Wu, J; Zhou, P; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11640634 46516974 ZINC14962116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30336 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32) FDBNUXAMAFEWOP-UHFFFAOYSA-N 16755 Acylguanidine, 10d::N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide Beta-secretase 1 Homo sapiens 110 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0607451 10.7270/Q2M043NG 17034121 aid1797554 Cole, DC; Manas, ES; Stock, JR; Condon, JS; Jennings, LD; Aulabaugh, A; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jin, G; Lin, L; Lovering, FE; Malamas, MS; Stahl, ML; Strand, J; Sukhdeo, MN; Svenson, K; Turner, MJ; Wagner, E; Wu, J; Zhou, P; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16090348 46516975 ZINC14962120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30352 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O InChI=1S/C31H41F2N3O6/c1-4-12-36(13-5-2)31(42)23-9-7-8-22(17-23)30(41)35-26(16-20-14-24(32)19-25(33)15-20)27(37)18-21(6-3)29(40)34-11-10-28(38)39/h7-9,14-15,17,19,21,26-27,37H,4-6,10-13,16,18H2,1-3H3,(H,34,40)(H,35,41)(H,38,39)/t21-,26+,27+/m1/s1 IQPUAQWXFYEAKS-AIGMYPEUSA-N 16756 3-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]propanoic acid::CHEMBL295996::Hydroxyethylene-Based Peptidomimetic Inhibitor, 6 Beta-secretase 1 Homo sapiens 2800 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10167359 46516976 CHEMBL295996 ZINC14962124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30353 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCC(O)=O InChI=1S/C32H43F2N3O6/c1-4-13-37(14-5-2)32(43)24-10-7-9-23(18-24)31(42)36-27(17-21-15-25(33)20-26(34)16-21)28(38)19-22(6-3)30(41)35-12-8-11-29(39)40/h7,9-10,15-16,18,20,22,27-28,38H,4-6,8,11-14,17,19H2,1-3H3,(H,35,41)(H,36,42)(H,39,40)/t22-,27+,28+/m1/s1 UNMRHLWSLAAHOI-WWEDSPNTSA-N 16757 4-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]butanoic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 7 Beta-secretase 1 Homo sapiens 310 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10282270 46516977 ZINC14962127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30354 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(O)=O InChI=1S/C33H45F2N3O6/c1-4-14-38(15-5-2)33(44)25-11-9-10-24(19-25)32(43)37-28(18-22-16-26(34)21-27(35)17-22)29(39)20-23(6-3)31(42)36-13-8-7-12-30(40)41/h9-11,16-17,19,21,23,28-29,39H,4-8,12-15,18,20H2,1-3H3,(H,36,42)(H,37,43)(H,40,41)/t23-,28+,29+/m1/s1 ZKWKVFUBEDCLBE-MGONOCMRSA-N 16758 5-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]pentanoic acid::CHEMBL263260::Hydroxyethylene-Based Peptidomimetic Inhibitor, 8 Beta-secretase 1 Homo sapiens 400 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10282555 46509519 CHEMBL263260 ZINC14962131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30355 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCC(O)=O InChI=1S/C34H47F2N3O6/c1-4-15-39(16-5-2)34(45)26-12-10-11-25(20-26)33(44)38-29(19-23-17-27(35)22-28(36)18-23)30(40)21-24(6-3)32(43)37-14-9-7-8-13-31(41)42/h10-12,17-18,20,22,24,29-30,40H,4-9,13-16,19,21H2,1-3H3,(H,37,43)(H,38,44)(H,41,42)/t24-,29+,30+/m1/s1 VGCDJFXZQIRXCZ-FRDKBHKLSA-N 16759 6-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]hexanoic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 9 Beta-secretase 1 Homo sapiens 240 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10189477 46509520 ZINC14962136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30356 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(O)=O InChI=1S/C36H51F2N3O6/c1-4-17-41(18-5-2)36(47)28-14-12-13-27(22-28)35(46)40-31(21-25-19-29(37)24-30(38)20-25)32(42)23-26(6-3)34(45)39-16-11-9-7-8-10-15-33(43)44/h12-14,19-20,22,24,26,31-32,42H,4-11,15-18,21,23H2,1-3H3,(H,39,45)(H,40,46)(H,43,44)/t26-,31+,32+/m1/s1 QXPWEFXYHVCZEV-GWTOPCPNSA-N 16760 8-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]octanoic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 10 Beta-secretase 1 Homo sapiens 200 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10305107 46509521 ZINC29395048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30357 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C36H49F2N3O6/c1-4-14-41(15-5-2)35(45)28-9-7-8-27(19-28)34(44)40-31(18-24-16-29(37)21-30(38)17-24)32(42)20-25(6-3)33(43)39-22-23-10-12-26(13-11-23)36(46)47/h7-9,16-17,19,21,23,25-26,31-32,42H,4-6,10-15,18,20,22H2,1-3H3,(H,39,43)(H,40,44)(H,46,47)/t23-,25-,26-,31+,32+/m1/s1 YRTFQCVTZROZMF-HLRKYMGXSA-N 16761 4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 11::trans-4-({[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-({[3-(dipropylcarbamoyl)phenyl]carbonyl}amino)-2-ethyl-4-hydroxyhexanoyl]amino}methyl)cyclohexanecarboxylic acid Beta-secretase 1 Homo sapiens 50 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9809811 46509522 ZINC28380629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30358 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(=O)OC InChI=1S/C37H53F2N3O6/c1-5-18-42(19-6-2)37(47)29-15-13-14-28(23-29)36(46)41-32(22-26-20-30(38)25-31(39)21-26)33(43)24-27(7-3)35(45)40-17-12-10-8-9-11-16-34(44)48-4/h13-15,20-21,23,25,27,32-33,43H,5-12,16-19,22,24H2,1-4H3,(H,40,45)(H,41,46)/t27-,32+,33+/m1/s1 AAEFFNYHGPFQKQ-LGBXHZPNSA-N 16762 Hydroxyethylene-Based Peptidomimetic Inhibitor, 12::methyl 8-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]octanoate Beta-secretase 1 Homo sapiens 410 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10233530 46516509 ZINC29395045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30359 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)OC)OC InChI=1S/C36H51F2N3O6/c1-6-12-41(13-7-2)36(45)26-11-9-10-25(17-26)35(44)40-32(16-23-14-27(37)19-28(38)15-23)33(42)18-24(8-3)34(43)39-29-20-30(46-4)22-31(21-29)47-5/h9-11,14-15,17,19,24,29-33,42H,6-8,12-13,16,18,20-22H2,1-5H3,(H,39,43)(H,40,44)/t24-,29-,30+,31-,32+,33+/m1/s1 PELCHZGPMNNYHX-HMHRWXBJSA-N 16763 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-5-{[(1R,3R,5S)-3,5-dimethoxycyclohexyl]carbamoyl}-5-ethyl-3-hydroxypentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL295109::Hydroxyethylene-Based Peptidomimetic Inhibitor, 13 Beta-secretase 1 Homo sapiens 6600 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11354322 46516510 CHEMBL295109 ZINC29391167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30360 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccccc1 InChI=1S/C35H43F2N3O4/c1-4-15-40(16-5-2)35(44)28-14-10-13-27(20-28)34(43)39-31(19-25-17-29(36)22-30(37)18-25)32(41)21-26(6-3)33(42)38-23-24-11-8-7-9-12-24/h7-14,17-18,20,22,26,31-32,41H,4-6,15-16,19,21,23H2,1-3H3,(H,38,42)(H,39,43)/t26-,31+,32+/m1/s1 CERYXSCNSXHXDY-GWTOPCPNSA-N 16764 3-N-[(2S,3S,5R)-5-(benzylcarbamoyl)-1-(3,5-difluorophenyl)-5-ethyl-3-hydroxypentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL43962::Hydroxyethylene-Based Peptidomimetic Inhibitor, 14 Beta-secretase 1 Homo sapiens 1400 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10121628 46509523 CHEMBL43962 ZINC14962140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30361 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C35H47F2N3O6/c1-4-13-40(14-5-2)34(44)27-8-6-7-26(19-27)33(43)39-30(18-24-16-28(36)20-29(37)17-24)31(41)15-22(3)32(42)38-21-23-9-11-25(12-10-23)35(45)46/h6-8,16-17,19-20,22-23,25,30-31,41H,4-5,9-15,18,21H2,1-3H3,(H,38,42)(H,39,43)(H,45,46)/t22-,23-,25-,30+,31+/m1/s1 VVEHHRVMQUBJOL-QQCMVXMHSA-N 16765 4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-4-hydroxy-2-methylhexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 15 Beta-secretase 1 Homo sapiens 26 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10146138 46509524 ZINC14140714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30362 CCC[C@H](C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N(CCC)CCC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C37H51F2N3O6/c1-4-8-27(34(44)40-23-24-11-13-26(14-12-24)37(47)48)21-33(43)32(19-25-17-30(38)22-31(39)18-25)41-35(45)28-9-7-10-29(20-28)36(46)42(15-5-2)16-6-3/h7,9-10,17-18,20,22,24,26-27,32-33,43H,4-6,8,11-16,19,21,23H2,1-3H3,(H,40,44)(H,41,45)(H,47,48)/t24-,26-,27-,32+,33+/m1/s1 GRBJMPYEGQIZCN-JNKOLXFZSA-N 16766 4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-4-hydroxy-2-propylhexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 16 Beta-secretase 1 Homo sapiens 45 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10305242 46516511 ZINC29392524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30363 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CCC(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C34H45F2N3O6/c1-3-14-39(15-4-2)33(43)26-7-5-6-25(19-26)32(42)38-29(18-23-16-27(35)20-28(36)17-23)30(40)12-13-31(41)37-21-22-8-10-24(11-9-22)34(44)45/h5-7,16-17,19-20,22,24,29-30,40H,3-4,8-15,18,21H2,1-2H3,(H,37,41)(H,38,42)(H,44,45)/t22-,24-,29-,30-/m0/s1 ZRWGIFQKLXUXFA-VWUZJACNSA-N 16767 4-{[(4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-4-hydroxyhexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 17 Beta-secretase 1 Homo sapiens 400 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10122007 46509525 ZINC14962144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30364 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C38H53F2N3O6/c1-5-14-43(15-6-2)37(47)29-9-7-8-28(20-29)36(46)42-33(19-26-17-31(39)22-32(40)18-26)34(44)21-30(16-24(3)4)35(45)41-23-25-10-12-27(13-11-25)38(48)49/h7-9,17-18,20,22,24-25,27,30,33-34,44H,5-6,10-16,19,21,23H2,1-4H3,(H,41,45)(H,42,46)(H,48,49)/t25-,27-,30-,33+,34+/m1/s1 LAFQDXVUSUGFRL-GFMLWFCCSA-N 16768 4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-4-hydroxy-2-(2-methylpropyl)hexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 18 Beta-secretase 1 Homo sapiens 310 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10190146 46516512 ZINC29392493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30365 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C41H51F2N3O6/c1-3-17-46(18-4-2)40(50)32-12-8-11-31(23-32)39(49)45-36(22-29-20-34(42)25-35(43)21-29)37(47)24-33(19-27-9-6-5-7-10-27)38(48)44-26-28-13-15-30(16-14-28)41(51)52/h5-12,20-21,23,25,28,30,33,36-37,47H,3-4,13-19,22,24,26H2,1-2H3,(H,44,48)(H,45,49)(H,51,52)/t28-,30-,33-,36+,37+/m1/s1 ARCHDSDCVIHIIJ-YUBCICCUSA-N 16769 4-{[(2R,4S,5S)-2-benzyl-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-4-hydroxyhexanamido]methyl}cyclohexane-1-carboxylic acid::Hydroxyethylene-Based Peptidomimetic Inhibitor, 19 Beta-secretase 1 Homo sapiens 27000 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10283686 46516513 ZINC29392172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30366 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C InChI=1S/C31H43F2N3O4/c1-6-11-36(12-7-2)31(40)24-10-8-9-23(17-24)30(39)35-27(16-22-14-25(32)18-26(33)15-22)28(37)13-21(5)29(38)34-19-20(3)4/h8-10,14-15,17-18,20-21,27-28,37H,6-7,11-13,16,19H2,1-5H3,(H,34,38)(H,35,39)/t21-,27+,28+/m1/s1 XVGVQHKKBOYQOC-MHWRTBLVSA-N 15790 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL42908::Hydroxyethylene-Based Peptidomimetic Inhibitor, 20::hydroxyethylene (HE) Inhibitor 1 Beta-secretase 1 Homo sapiens 30 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918716 46516077 CHEMBL42908 ZINC14959542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30367 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O InChI=1S/C38H50F2N4O9/c1-5-10-44(11-6-2)36(49)24-9-7-8-23(15-24)34(47)42-30(14-22-12-27(39)19-28(40)13-22)31(45)20-32(46)43-33(21(3)4)35(48)41-29-17-25(37(50)51)16-26(18-29)38(52)53/h7-9,12-13,15,19,21,25-26,29-31,33,45H,5-6,10-11,14,16-18,20H2,1-4H3,(H,41,48)(H,42,47)(H,43,46)(H,50,51)(H,52,53)/t25-,26+,29-,30-,31-,33-/m0/s1 UIRBVORWZZIYQQ-UCTOGJPGSA-N 16770 (1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-5-(3,5-difluorophenyl)-4-{[3-(dipropylcarbamoyl)phenyl]formamido}-3-hydroxypentanamide]cyclohexane-1,3-dicarboxylic acid::Statine Compound, 21 Beta-secretase 1 Homo sapiens 1 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11181771 46516514 ZINC29393440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30368 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O InChI=1S/C38H43F2N3O9/c1-20(2)33(35(47)41-27-16-23(37(49)50)15-24(17-27)38(51)52)43-32(45)19-31(44)30(14-21-12-25(39)18-26(40)13-21)42-36(48)34(46)29-11-7-6-10-28(29)22-8-4-3-5-9-22/h3-13,18,20,23-24,27,30-31,33-34,44,46H,14-17,19H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,49,50)(H,51,52)/t23-,24+,27-,30-,31-,33-,34?/m0/s1 DIPNZVXJUGCGCY-KAUMSOOVSA-N 16771 (1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-5-(3,5-difluorophenyl)-3-hydroxy-4-[2-hydroxy-2-(2-phenylphenyl)acetamido]pentanamide]cyclohexane-1,3-dicarboxylic acid::Statine Compound, 22 Beta-secretase 1 Homo sapiens 20 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q2G73BZ6 14695829 aid1797555 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10952679 46516515 ZINC29388593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30369 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C36H57N7O11/c1-18(2)14-24(41-34(51)25(17-28(37)45)42-35(52)30(38)19(3)4)27(44)15-20(5)31(48)39-21(6)32(49)40-23(12-13-29(46)47)33(50)43-26(36(53)54)16-22-10-8-7-9-11-22/h7-11,18-21,23-27,30,44H,12-17,38H2,1-6H3,(H2,37,45)(H,39,48)(H,40,49)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,53,54)/t20-,21+,23+,24+,25+,26+,27+,30+/m1/s1 QLXGCRQIMMFYJL-RJVRHGFWSA-N 16772 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL509188::OM99-1::Val-Asn-LeuAla-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 36 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918517 46516530 CHEMBL509188 ZINC95613651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30370 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30371 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C29H47N5O7/c1-17(2)13-21(33-27(39)22(15-24(30)36)34-28(40)41-29(5,6)7)23(35)14-18(3)25(37)32-19(4)26(38)31-16-20-11-9-8-10-12-20/h8-12,17-19,21-23,35H,13-16H2,1-7H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,39)(H,34,40)/t18-,19+,21+,22+,23+/m1/s1 MOALZWBFKAHSKG-RNTGTLJKSA-N 16773 Substrate-based BACE-1 inhibitor, 12::tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)ethyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-carbamoylethyl]carbamate Beta-secretase 1 Homo sapiens 22423 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11028241 46509526 ZINC14962149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30372 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C31H51N5O7/c1-18(2)14-22(34-28(40)23(16-25(32)38)35-30(42)43-31(6,7)8)24(37)15-20(5)27(39)36-26(19(3)4)29(41)33-17-21-12-10-9-11-13-21/h9-13,18-20,22-24,26,37H,14-17H2,1-8H3,(H2,32,38)(H,33,41)(H,34,40)(H,35,42)(H,36,39)/t20-,22+,23+,24+,26+/m1/s1 ZGVWYOCELUQYGV-GQYOZWOXSA-N 16774 Substrate-based BACE-1 inhibitor, 13::tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-carbamoylethyl]carbamate Beta-secretase 1 Homo sapiens 3134 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11050296 46516531 ZINC10339605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30373 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C31H52N4O8S/c1-19(2)15-23(33-28(38)24(18-44(9,41)42)34-30(40)43-31(6,7)8)25(36)16-21(5)27(37)35-26(20(3)4)29(39)32-17-22-13-11-10-12-14-22/h10-14,19-21,23-26,36H,15-18H2,1-9H3,(H,32,39)(H,33,38)(H,34,40)(H,35,37)/t21-,23+,24+,25+,26+/m1/s1 XLXYOWSUVOIWNA-KAPZOZIZSA-N 16775 CHEMBL273916::Substrate-based BACE-1 inhibitor, 14::tert-butyl N-[(1R)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate Beta-secretase 1 Homo sapiens 1129 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10908388 46516534 CHEMBL273916 ZINC10339593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30374 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C34H56N6O8/c1-19(2)15-24(26(41)16-21(5)29(43)37-22(6)30(44)36-18-23-13-11-10-12-14-23)38-31(45)25(17-27(35)42)39-32(46)28(20(3)4)40-33(47)48-34(7,8)9/h10-14,19-22,24-26,28,41H,15-18H2,1-9H3,(H2,35,42)(H,36,44)(H,37,43)(H,38,45)(H,39,46)(H,40,47)/t21-,22+,24+,25+,26+,28+/m1/s1 MOLFRSZYCOAPEA-JNPYCOQJSA-N 16776 Substrate-based BACE-1 inhibitor, 15::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)ethyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 61.4 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11146809 46516536 ZINC26179969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30375 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H60N6O8/c1-20(2)16-25(27(43)17-23(7)31(45)41-29(21(3)4)33(47)38-19-24-14-12-11-13-15-24)39-32(46)26(18-28(37)44)40-34(48)30(22(5)6)42-35(49)50-36(8,9)10/h11-15,20-23,25-27,29-30,43H,16-19H2,1-10H3,(H2,37,44)(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)/t23-,25+,26+,27+,29+,30+/m1/s1 VBXFKHHFSHCRHR-CPPNCWEISA-N 16777 Substrate-based BACE-1 inhibitor, 16::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 5.9 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11083054 46516919 ZINC26175932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30376 CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O7S/c1-21(2)17-26(38-32(44)27(20-49-11)39-34(46)30(23(5)6)41-35(47)48-36(8,9)10)28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24-,26+,27+,28+,29+,30+/m1/s1 MWJGDTZPZCVPJM-MFHFOAAOSA-N 16778 Substrate-based BACE-1 inhibitor, 17::tert-butyl N-[(1S)-1-{[(1R)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-(methylsulfanyl)ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 50.1 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11061522 46516920 C03800 ZINC26182652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30377 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O9S/c1-21(2)17-26(28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25)38-32(44)27(20-51(11,48)49)39-34(46)30(23(5)6)41-35(47)50-36(8,9)10/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24-,26+,27+,28+,29+,30+/m1/s1 HQRXSCRNSOFDNU-MFHFOAAOSA-N 16779 Substrate-based BACE-1 inhibitor, 18::tert-butyl N-[(1S)-1-{[(1R)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 9.4 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11967065 46516921 ZINC26176827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30378 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H54N4O6S/c1-20(2)17-25(34-29(39)24(15-16-43-9)35-31(41)42-32(6,7)8)26(37)18-22(5)28(38)36-27(21(3)4)30(40)33-19-23-13-11-10-12-14-23/h10-14,20-22,24-27,37H,15-19H2,1-9H3,(H,33,40)(H,34,39)(H,35,41)(H,36,38)/t22-,24+,25+,26+,27+/m1/s1 QFTDPCREZCGEQF-AMNZSHNSSA-N 16780 Substrate-based BACE-1 inhibitor, 19::tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamate Beta-secretase 1 Homo sapiens 5808 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11093357 46509527 ZINC10339607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30379 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 OTAKXFOXYSLTCG-KNSFHFJMSA-N 16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 2.5 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212352 46516094 CHEMBL290001 ZINC26176801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30380 CC(C)C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O9S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-52(11,49)50)39-35(47)31(24(5)6)42-36(48)51-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 ZPHIGADCEJRCRP-KNSFHFJMSA-N 16781 Substrate-based BACE-1 inhibitor, 23::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-methanesulfonylpropyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 8.0 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10305901 46516924 ZINC26179516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30381 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C40H69N5O7S/c1-24(2)20-29(35(47)44-33(26(5)6)37(49)41-23-28-16-14-13-15-17-28)22-32(46)31(21-25(3)4)43-36(48)30(18-19-53-12)42-38(50)34(27(7)8)45-39(51)52-40(9,10)11/h13-17,24-27,29-34,46H,18-23H2,1-12H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t29-,30+,31+,32+,33+,34+/m1/s1 LNMPJCHUUOFABS-QLGIUQJMSA-N 16782 Substrate-based BACE-1 inhibitor, 24::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-6-methyl-1-(2-methylpropyl)heptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 10491 4.5 37.00 C Curated from the literature by BindingDB 10.1021/jm0101803 10.7270/Q2BG2M7W 11520194 aid1797556 Ghosh, AK; Bilcer, G; Harwood, C; Kawahama, R; Shin, D; Hussain, KA; Hong, L; Loy, JA; Nguyen, C; Koelsch, G; Ermolieff, J; Tang, J University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10974718 46516925 ZINC26180807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30409 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H66N6O11S/c1-22(2)19-31(46-39(55)30(17-18-59-9)45-40(56)35(24(5)6)43-26(8)48)33(49)21-28(23(3)4)37(53)42-25(7)36(52)44-29(15-16-34(50)51)38(54)47-32(41(57)58)20-27-13-11-10-12-14-27/h10-14,22-25,28-33,35,49H,15-21H2,1-9H3,(H,42,53)(H,43,48)(H,44,52)(H,45,56)(H,46,55)(H,47,54)(H,50,51)(H,57,58)/t25-,28-,29-,30-,31-,32-,33-,35-/m0/s1 MTWXTVPPJSYYJK-FHUIGARWSA-N 16798 (4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4-[(2S)-2-[(2S,4S,5S)-5-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-4-hydroxy-7-methyl-2-(propan-2-yl)octanamido]propanamido]butanoic acid::peptidic hydroxyethylene BACE inhibitor 1 Beta-secretase 1 Homo sapiens 30 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q22Z13RC 14695829 aid1797560 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918618 46516934 ZINC95543232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30410 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 OTAKXFOXYSLTCG-KNSFHFJMSA-N 16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 3 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q22Z13RC 14695829 aid1797560 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212352 46516094 CHEMBL290001 ZINC26176801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30411 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H55N5O11/c1-23(2)20-31(45-41(56)37(52)29-17-11-15-27-14-9-10-16-28(27)29)33(48)22-34(49)47-36(24(3)4)40(55)43-25(5)38(53)44-30(18-19-35(50)51)39(54)46-32(42(57)58)21-26-12-7-6-8-13-26/h6-17,23-25,30-33,36-37,48,52H,18-22H2,1-5H3,(H,43,55)(H,44,53)(H,45,56)(H,46,54)(H,47,49)(H,50,51)(H,57,58)/t25-,30-,31-,32-,33-,36-,37?/m0/s1 OKXXIBJDLBMFLA-LEQRVNFRSA-N 16799 (4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(3S,4S)-3-hydroxy-4-[2-hydroxy-2-(naphthalen-1-yl)acetamido]-6-methylheptanamido]-3-methylbutanamido]propanamido]butanoic acid::statine inhibitor 2 Beta-secretase 1 Homo sapiens 4000 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q22Z13RC 14695829 aid1797560 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647404 46516935 ZINC95615346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 30412 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H54N4O10/c1-23(2)20-32(44-40(53)36(49)29-17-11-15-27-14-9-10-16-28(27)29)34(46)22-30(24(3)4)38(51)42-25(5)37(50)43-31(18-19-35(47)48)39(52)45-33(41(54)55)21-26-12-7-6-8-13-26/h6-17,23-25,30-34,36,46,49H,18-22H2,1-5H3,(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)(H,54,55)/t25-,30-,31-,32-,33-,34-,36?/m0/s1 AOHSIJRTXBZIPX-XXJCSFQXSA-N 16800 (4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4-[(2S)-2-[(2S,4S,5S)-4-hydroxy-5-[2-hydroxy-2-(naphthalen-1-yl)acetamido]-7-methyl-2-(propan-2-yl)octanamido]propanamido]butanoic acid::hydroxyethylene BACE inhibitor 3 Beta-secretase 1 Homo sapiens 7500 4.8 37.00 C Curated from the literature by BindingDB 10.1021/jm0304008 10.7270/Q22Z13RC 14695829 aid1797560 Hom, RK; Gailunas, AF; Mamo, S; Fang, LY; Tung, JS; Walker, DE; Davis, D; Thorsett, ED; Jewett, NE; Moon, JB; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647405 46516936 ZINC95608836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 31937 CN(C1CCCCC1)C(=O)CCN1Cc2cc(ccc2N=C1N)C(=O)c1ccccc1 InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27) KTRFBFMYAJOXLG-UHFFFAOYSA-N 17783 2-aminoquinazoline, 1::3-(2-amino-6-benzoyl-3,4-dihydroquinazolin-3-yl)-N-cyclohexyl-N-methylpropanamide Beta-secretase 1 Homo sapiens 900 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0705408 10.7270/Q24M92T2 17685503 aid1797658 Baxter, EW; Conway, KA; Kennis, L; Bischoff, F; Mercken, MH; Winter, HL; Reynolds, CH; Tounge, BA; Luo, C; Scott, MK; Huang, Y; Braeken, M; Pieters, SM; Berthelot, DJ; Masure, S; Bruinzeel, WD; Jordan, AD; Parker, MH; Boyd, RE; Qu, J; Alexander, RS; Brenneman, DE; Reitz, AB Johnson & Johnson Pharmaceutical http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XX4 2Q11 16741238 46517937 DB08749 ZINC10339589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 31938 CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1 InChI=1S/C29H32N4O2/c1-32(24-11-4-2-5-12-24)28(34)22-10-8-9-21(17-22)19-33-20-23-18-26(15-16-27(23)31-29(33)30)35-25-13-6-3-7-14-25/h3,6-10,13-18,24H,2,4-5,11-12,19-20H2,1H3,(H2,30,31) FXTPEHCYBUSFBC-UHFFFAOYSA-N 17784 2-aminoquinazoline, 2::3-[(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)methyl]-N-cyclohexyl-N-methylbenzamide Beta-secretase 1 Homo sapiens 158 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0705408 10.7270/Q24M92T2 17685503 aid1797658 Baxter, EW; Conway, KA; Kennis, L; Bischoff, F; Mercken, MH; Winter, HL; Reynolds, CH; Tounge, BA; Luo, C; Scott, MK; Huang, Y; Braeken, M; Pieters, SM; Berthelot, DJ; Masure, S; Bruinzeel, WD; Jordan, AD; Parker, MH; Boyd, RE; Qu, J; Alexander, RS; Brenneman, DE; Reitz, AB Johnson & Johnson Pharmaceutical http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17756380 46517938 ZINC10339580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 31939 CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33) JKQCQYBXDQPJNC-UHFFFAOYSA-N 17785 2-aminoquinazoline, 3::4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide Beta-secretase 1 Homo sapiens 30 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0705408 10.7270/Q24M92T2 17685503 aid1797658 Baxter, EW; Conway, KA; Kennis, L; Bischoff, F; Mercken, MH; Winter, HL; Reynolds, CH; Tounge, BA; Luo, C; Scott, MK; Huang, Y; Braeken, M; Pieters, SM; Berthelot, DJ; Masure, S; Bruinzeel, WD; Jordan, AD; Parker, MH; Boyd, RE; Qu, J; Alexander, RS; Brenneman, DE; Reitz, AB Johnson & Johnson Pharmaceutical http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3MR 2Q15 17756484 46517939 ZINC10339557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 31940 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 JKQCQYBXDQPJNC-LJAQVGFWSA-N 17786 (4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide::2-aminoquinazoline, 3a Beta-secretase 1 Homo sapiens 11 5 22.00 C Curated from the literature by BindingDB 10.1021/jm0705408 10.7270/Q24M92T2 17685503 aid1797658 Baxter, EW; Conway, KA; Kennis, L; Bischoff, F; Mercken, MH; Winter, HL; Reynolds, CH; Tounge, BA; Luo, C; Scott, MK; Huang, Y; Braeken, M; Pieters, SM; Berthelot, DJ; Masure, S; Bruinzeel, WD; Jordan, AD; Parker, MH; Boyd, RE; Qu, J; Alexander, RS; Brenneman, DE; Reitz, AB Johnson & Johnson Pharmaceutical http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3MR 2Q15 16741239 46517940 ZINC10339556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 45997 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 InChI=1S/C26H32N4O/c31-25-28-24(27-22-12-6-2-7-13-22)26(30(25)23-14-8-3-9-15-23)16-18-29(19-17-26)20-21-10-4-1-5-11-21/h1,3-5,8-11,14-15,22H,2,6-7,12-13,16-20H2,(H,27,28,31) VAFQNFGVNZIBOO-UHFFFAOYSA-N 25353 8-benzyl-4-(cyclohexylamino)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 1 Beta-secretase 1 Homo sapiens 22000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11676050 56374492 ZINC38225697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 45998 O=C1NC2(CCN(Cc3ccccc3)CC2)C(NC2CCCCC2)=N1 InChI=1S/C20H28N4O/c25-19-22-18(21-17-9-5-2-6-10-17)20(23-19)11-13-24(14-12-20)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,25) AGSFDUNAXNWTSJ-UHFFFAOYSA-N 25354 8-benzyl-4-(cyclohexylamino)-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 9 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023923 56374493 ZINC40429201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 45999 CC(C)CCN1C(=O)N=C(NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 InChI=1S/C25H38N4O/c1-20(2)13-16-29-24(30)27-23(26-22-11-7-4-8-12-22)25(29)14-17-28(18-15-25)19-21-9-5-3-6-10-21/h3,5-6,9-10,20,22H,4,7-8,11-19H2,1-2H3,(H,26,27,30) UENREBBPIRJWDJ-UHFFFAOYSA-N 25355 8-benzyl-4-(cyclohexylamino)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 10 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023924 56374494 ZINC62154054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46000 O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1 InChI=1S/C27H34N4O/c32-26-29-25(28-24-14-8-3-9-15-24)27(31(26)21-23-12-6-2-7-13-23)16-18-30(19-17-27)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24H,3,8-9,14-21H2,(H,28,29,32) WYOZUUUAVPMXIT-UHFFFAOYSA-N 25356 1,8-dibenzyl-4-(cyclohexylamino)-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 11 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023925 56374495 ZINC40954106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46001 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1 InChI=1S/C26H31FN4O/c27-21-10-7-13-23(18-21)31-25(32)29-24(28-22-11-5-2-6-12-22)26(31)14-16-30(17-15-26)19-20-8-3-1-4-9-20/h1,3-4,7-10,13,18,22H,2,5-6,11-12,14-17,19H2,(H,28,29,32) PLPAEWRELXZNRK-UHFFFAOYSA-N 25357 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 12 Beta-secretase 1 Homo sapiens 11000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023926 56374496 ZINC40429942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46002 CC(=O)Nc1ccc(cc1)N1C(O)=NC(=NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 InChI=1S/C28H35N5O2/c1-21(34)29-24-12-14-25(15-13-24)33-27(35)31-26(30-23-10-6-3-7-11-23)28(33)16-18-32(19-17-28)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23H,3,6-7,10-11,16-20H2,1H3,(H,29,34)(H,30,31,35) FPDCVNHEKYJTLH-UHFFFAOYSA-N 25358 N-{4-[8-benzyl-4-(cyclohexylamino)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-1-yl]phenyl}acetamide::Spiropiperidine Iminohydantoin, 13 Beta-secretase 1 Homo sapiens 8000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023927 56374497 ZINC40422180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46003 OC1=NC(=NC2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1 InChI=1S/C19H25FN4O/c20-14-5-4-8-16(13-14)24-18(25)23-17(19(24)9-11-21-12-10-19)22-15-6-2-1-3-7-15/h4-5,8,13,15,21H,1-3,6-7,9-12H2,(H,22,23,25) CLSHIGIZZCVNHG-UHFFFAOYSA-N 25359 4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 14 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023928 56374498 ZINC40951254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46004 OC1=NC(=NC2CCCCC2)C2(CCN(CC2)c2ccc(F)cc2)N1c1cccc(F)c1 InChI=1S/C25H28F2N4O/c26-18-9-11-21(12-10-18)30-15-13-25(14-16-30)23(28-20-6-2-1-3-7-20)29-24(32)31(25)22-8-4-5-19(27)17-22/h4-5,8-12,17,20H,1-3,6-7,13-16H2,(H,28,29,32) ZWOBSDHHHCJSBJ-UHFFFAOYSA-N 25360 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 15 Beta-secretase 1 Homo sapiens >100000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023929 56374499 ZINC40955692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46005 CC(=O)Nc1ccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)cc1 InChI=1S/C28H34FN5O2/c1-20(35)30-24-12-10-21(11-13-24)19-33-16-14-28(15-17-33)26(31-23-7-3-2-4-8-23)32-27(36)34(28)25-9-5-6-22(29)18-25/h5-6,9-13,18,23H,2-4,7-8,14-17,19H2,1H3,(H,30,35)(H,31,32,36) VXIOVOURIXSOTD-UHFFFAOYSA-N 25361 N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide::Spiropiperidine Iminohydantoin, 16 Beta-secretase 1 Homo sapiens 2800 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25361&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SII 3FKT 25023930 56374500 ZINC39470958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46006 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3cccc(c3)-c3ccccc3)CC2)N1c1cccc(F)c1 InChI=1S/C32H35FN4O/c33-27-13-8-16-29(22-27)37-31(38)35-30(34-28-14-5-2-6-15-28)32(37)17-19-36(20-18-32)23-24-9-7-12-26(21-24)25-10-3-1-4-11-25/h1,3-4,7-13,16,21-22,28H,2,5-6,14-15,17-20,23H2,(H,34,35,38) JPHRZSOAJYCXBN-UHFFFAOYSA-N 25362 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[(3-phenylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 17 Beta-secretase 1 Homo sapiens 4600 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25362&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023931 56374501 ZINC40956184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 46007 Cc1ccccc1-c1cccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)c1 InChI=1S/C33H37FN4O/c1-24-9-5-6-16-30(24)26-11-7-10-25(21-26)23-37-19-17-33(18-20-37)31(35-28-13-3-2-4-14-28)36-32(39)38(33)29-15-8-12-27(34)22-29/h5-12,15-16,21-22,28H,2-4,13-14,17-20,23H2,1H3,(H,35,36,39) QQZNFBADZFMIHT-UHFFFAOYSA-N 25363 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-{[3-(2-methylphenyl)phenyl]methyl}-1,3,8-triazaspiro[4.5]dec-3-en-2-one::Spiropiperidine Iminohydantoin, 18 Beta-secretase 1 Homo sapiens 110 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800914n 10.7270/Q2KS6PVK 18811140 aid1798546 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25023932 56374502 ZINC40953874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48347 Cc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21) CXQRKICWSCAUGW-UHFFFAOYSA-N 26484 N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 5 Beta-secretase 1 Homo sapiens 24000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5MS 3EXO 25138203 56464921 DB07175 ZINC39205138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48348 CS(=O)(=O)Nc1cccc(Nc2cc(ncn2)-c2ccccc2)c1 InChI=1S/C17H16N4O2S/c1-24(22,23)21-15-9-5-8-14(10-15)20-17-11-16(18-12-19-17)13-6-3-2-4-7-13/h2-12,21H,1H3,(H,18,19,20) RPLQRJLTIZASFN-UHFFFAOYSA-N 26485 N-{3-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 6 Beta-secretase 1 Homo sapiens 400000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24289443 56464922 ZINC12231516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48349 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Cl InChI=1S/C17H15ClN4O2S/c1-25(23,24)22-16-9-13(7-8-14(16)18)21-17-10-15(19-11-20-17)12-5-3-2-4-6-12/h2-11,22H,1H3,(H,19,20,21) JDRNFLBYWNKJOF-UHFFFAOYSA-N 26486 N-{2-chloro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 7 Beta-secretase 1 Homo sapiens 16000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138204 56464923 ZINC40873836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48350 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br InChI=1S/C17H15BrN4O2S/c1-25(23,24)22-16-9-13(7-8-14(16)18)21-17-10-15(19-11-20-17)12-5-3-2-4-6-12/h2-11,22H,1H3,(H,19,20,21) JSYKRTSXODJXIS-UHFFFAOYSA-N 26487 N-{2-bromo-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 8 Beta-secretase 1 Homo sapiens 30000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138205 56464924 ZINC40393466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48351 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1F InChI=1S/C17H15FN4O2S/c1-25(23,24)22-16-9-13(7-8-14(16)18)21-17-10-15(19-11-20-17)12-5-3-2-4-6-12/h2-11,22H,1H3,(H,19,20,21) ZRWABHYRUCRKHV-UHFFFAOYSA-N 26488 N-{2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 9 Beta-secretase 1 Homo sapiens 110000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138206 56464925 ZINC40873436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48352 COc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O InChI=1S/C18H18N4O3S/c1-25-17-9-8-14(10-16(17)22-26(2,23)24)21-18-11-15(19-12-20-18)13-6-4-3-5-7-13/h3-12,22H,1-2H3,(H,19,20,21) RCANHPBTUVMERN-UHFFFAOYSA-N 26489 N-{2-methoxy-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 10 Beta-secretase 1 Homo sapiens 69000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138207 56464926 ZINC40873438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48353 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1-c1ccccc1 InChI=1S/C23H20N4O2S/c1-30(28,29)27-22-14-19(12-13-20(22)17-8-4-2-5-9-17)26-23-15-21(24-16-25-23)18-10-6-3-7-11-18/h2-16,27H,1H3,(H,24,25,26) IDHFMWCPFWHWHF-UHFFFAOYSA-N 26490 N-{2-phenyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 11 Beta-secretase 1 Homo sapiens >600000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138208 56464927 ZINC40879238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48354 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1CC=C InChI=1S/C20H20N4O2S/c1-3-7-15-10-11-17(12-19(15)24-27(2,25)26)23-20-13-18(21-14-22-20)16-8-5-4-6-9-16/h3-6,8-14,24H,1,7H2,2H3,(H,21,22,23) PDZIWNOITAZGJM-UHFFFAOYSA-N 26491 N-{5-[(6-phenylpyrimidin-4-yl)amino]-2-(prop-2-en-1-yl)phenyl}methanesulfonamide::aminopyrimidine, 12 Beta-secretase 1 Homo sapiens 570000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138209 56464928 ZINC40877095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48355 [O-][N+](=O)c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br InChI=1S/C16H11BrN4O2/c17-13-7-6-12(8-15(13)21(22)23)20-16-9-14(18-10-19-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20) LEBJQWAVNREOIG-UHFFFAOYSA-N 26492 N-(4-bromo-3-nitrophenyl)-6-phenylpyrimidin-4-amine::aminopyrimidine, 13 Beta-secretase 1 Homo sapiens >600000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138210 56464929 ZINC40833937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48356 Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br InChI=1S/C16H13BrN4/c17-13-7-6-12(8-14(13)18)21-16-9-15(19-10-20-16)11-4-2-1-3-5-11/h1-10H,18H2,(H,19,20,21) CUVGEONOKQXAEJ-UHFFFAOYSA-N 26493 4-bromo-1-N-(6-phenylpyrimidin-4-yl)benzene-1,3-diamine::aminopyrimidine, 14 Beta-secretase 1 Homo sapiens >600000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138211 56464930 ZINC40394547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48357 CC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C InChI=1S/C19H18N4O/c1-13-8-9-16(10-17(13)22-14(2)24)23-19-11-18(20-12-21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,20,21,23) UCTUSYYVGGFOAX-UHFFFAOYSA-N 26494 N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}acetamide::aminopyrimidine, 15 Beta-secretase 1 Homo sapiens >600000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138212 56464931 ZINC40977031 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48358 CN(c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C)S(C)(=O)=O InChI=1S/C19H20N4O2S/c1-14-9-10-16(11-18(14)23(2)26(3,24)25)22-19-12-17(20-13-21-19)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21,22) HTFPBBMPPXILKL-UHFFFAOYSA-N 26495 N-methyl-N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide::aminopyrimidine, 16 Beta-secretase 1 Homo sapiens >1600000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138213 56464932 ZINC40896161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48359 CN(C)c1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1 InChI=1S/C20H23N5O2S/c1-14-9-10-15(11-17(14)24-28(4,26)27)23-20-12-18(21-13-22-20)16-7-5-6-8-19(16)25(2)3/h5-13,24H,1-4H3,(H,21,22,23) UXXNJEXDZVELKD-UHFFFAOYSA-N 26496 N-[5-({6-[2-(dimethylamino)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide::aminopyrimidine, 4 Beta-secretase 1 Homo sapiens 317000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138214 56464933 ZINC40875391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48360 CN(C)c1ccc(cc1)-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1 InChI=1S/C20H23N5O2S/c1-14-5-8-16(11-18(14)24-28(4,26)27)23-20-12-19(21-13-22-20)15-6-9-17(10-7-15)25(2)3/h5-13,24H,1-4H3,(H,21,22,23) RYYWQDKKNIQWAD-UHFFFAOYSA-N 26497 N-[5-({6-[4-(dimethylamino)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide::aminopyrimidine, 17 Beta-secretase 1 Homo sapiens 15000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138215 56464934 ZINC40875005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48361 Cc1ccc(Nc2cc(ncn2)-c2ccccc2C)cc1NS(C)(=O)=O InChI=1S/C19H20N4O2S/c1-13-6-4-5-7-16(13)18-11-19(21-12-20-18)22-15-9-8-14(2)17(10-15)23-26(3,24)25/h4-12,23H,1-3H3,(H,20,21,22) VHVHHHVCWYYSGD-UHFFFAOYSA-N 26498 N-(2-methyl-5-{[6-(2-methylphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide::aminopyrimidine, 18 Beta-secretase 1 Homo sapiens 219000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138216 56464935 ZINC40875007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48362 Cc1ccc(Nc2cc(ncn2)-c2ccc(cc2)-c2ccccc2)cc1NS(C)(=O)=O InChI=1S/C24H22N4O2S/c1-17-8-13-21(14-22(17)28-31(2,29)30)27-24-15-23(25-16-26-24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-16,28H,1-2H3,(H,25,26,27) JIUIHZIUIIXFBM-UHFFFAOYSA-N 26499 N-(2-methyl-5-{[6-(4-phenylphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide::aminopyrimidine, 19 Beta-secretase 1 Homo sapiens 19000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138217 56464936 ZINC40394644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48363 Cc1ccc(Nc2cc(ncn2)-c2ccc(CCCO)cc2)cc1NS(C)(=O)=O InChI=1S/C21H24N4O3S/c1-15-5-10-18(12-19(15)25-29(2,27)28)24-21-13-20(22-14-23-21)17-8-6-16(7-9-17)4-3-11-26/h5-10,12-14,25-26H,3-4,11H2,1-2H3,(H,22,23,24) RAFREQMBHRNTEE-UHFFFAOYSA-N 26500 N-[5-({6-[4-(3-hydroxypropyl)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide::aminopyrimidine, 20 Beta-secretase 1 Homo sapiens 37000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138218 56464937 ZINC40881456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48364 Cc1ccc(Nc2cc(ncn2)-c2ccc3OCCOc3c2)cc1NS(C)(=O)=O InChI=1S/C20H20N4O4S/c1-13-3-5-15(10-16(13)24-29(2,25)26)23-20-11-17(21-12-22-20)14-4-6-18-19(9-14)28-8-7-27-18/h3-6,9-12,24H,7-8H2,1-2H3,(H,21,22,23) XBXXTTCMETZHTB-UHFFFAOYSA-N 26501 N-(5-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-2-methylphenyl)methanesulfonamide::aminopyrimidine, 21 Beta-secretase 1 Homo sapiens 21000 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2008.11.027 10.7270/Q22J696F 19036583 aid1798694 Steele, TG; Hills, ID; Nomland, AA; de León, P; Allison, T; McGaughey, G; Colussi, D; Tugusheva, K; Haugabook, SJ; Espeseth, AS; Zuck, P; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25138219 56464938 ZINC40891504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48365 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 GPMRAYXRPZKTFK-URLMMPGGSA-N 26502 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 7::BMCL193664 Compound 24::BMCL193664 Compound 9::BMCL193669 Compound 8::sultam hydroxyethylamine (HEA) derivative, 1 Beta-secretase 1 Homo sapiens 3 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM8 2VNM 24794397 56464939 ZINC16052624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48366 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H35F3N4O4S/c1-3-23-20-39-12-13-44(42,43)38(2)28-17-24(16-26(23)30(28)39)31(41)37-27(15-21-8-5-4-6-9-21)29(40)19-36-18-22-10-7-11-25(14-22)32(33,34)35/h4-11,14,16-17,20,27,29,36,40H,3,12-13,15,18-19H2,1-2H3,(H,37,41)/t27-,29+/m0/s1 MSHYGGHZTGSTOG-LMSSTIIKSA-N 26503 3-ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::BMCL193669 Compound 9::tricyclic hydroxyethylamine (HEA) derivative, 8a Beta-secretase 1 Homo sapiens 2 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM7 2VNN 11296859 56464940 ZINC16052623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48367 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1 InChI=1S/C31H36N4O4S/c1-3-24-21-35-14-15-40(38,39)34(2)28-18-25(17-26(24)30(28)35)31(37)33-27(16-22-10-6-4-7-11-22)29(36)20-32-19-23-12-8-5-9-13-23/h4-13,17-18,21,27,29,32,36H,3,14-16,19-20H2,1-2H3,(H,33,37)/t27-,29+/m0/s1 MZFWJFYQYIPXQF-LMSSTIIKSA-N 26504 N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8b Beta-secretase 1 Homo sapiens 34 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11456237 56464941 ZINC44308023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48368 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCCS1(=O)=O InChI=1S/C30H38N4O4S/c1-2-32-26-18-25(19-27(20-26)34-15-9-10-16-39(34,37)38)30(36)33-28(17-23-11-5-3-6-12-23)29(35)22-31-21-24-13-7-4-8-14-24/h3-8,11-14,18-20,28-29,31-32,35H,2,9-10,15-17,21-22H2,1H3,(H,33,36)/t28-,29+/m0/s1 WUYOJSGIKRCAKP-URLMMPGGSA-N 26505 BMCL181022 Compound 12::N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::sultam hydroxyethylamine (HEA) derivative, 9b Beta-secretase 1 Homo sapiens 120 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878893 56464942 ZINC29039606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48369 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C InChI=1S/C33H48N4O4S/c1-7-25-22-37-16-17-42(40,41)36(6)29-20-26(19-27(25)31(29)37)32(39)35-28(18-24-13-9-8-10-14-24)30(38)21-34-33(4,5)15-11-12-23(2)3/h8-10,13-14,19-20,22-23,28,30,34,38H,7,11-12,15-18,21H2,1-6H3,(H,35,39)/t28-,30+/m0/s1 WICLUVROROXQTO-MFMCTBQISA-N 26506 BMCL193669 Compound 24::N-[(2S,3R)-4-[(2,6-dimethylheptan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8c Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11308212 56464943 ZINC42806162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48370 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCCS1(=O)=O InChI=1S/C32H50N4O4S/c1-6-33-27-20-26(21-28(22-27)36-17-10-11-18-41(36,39)40)31(38)35-29(19-25-14-8-7-9-15-25)30(37)23-34-32(4,5)16-12-13-24(2)3/h7-9,14-15,20-22,24,29-30,33-34,37H,6,10-13,16-19,23H2,1-5H3,(H,35,38)/t29-,30+/m0/s1 HTVIBPYYVYUSBD-XZWHSSHBSA-N 26507 N-[(2S,3R)-4-[(2,6-dimethylheptan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::sultam hydroxyethylamine (HEA) derivative, 9c Beta-secretase 1 Homo sapiens 30 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878897 56464944 ZINC42804037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48371 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 InChI=1S/C30H40N4O4S/c1-3-22-20-34-14-15-39(37,38)33(2)27-18-23(17-25(22)29(27)34)30(36)32-26(16-21-10-6-4-7-11-21)28(35)19-31-24-12-8-5-9-13-24/h4,6-7,10-11,17-18,20,24,26,28,31,35H,3,5,8-9,12-16,19H2,1-2H3,(H,32,36)/t26-,28+/m0/s1 MZZUETJXSRAUTC-XTEPFMGCSA-N 26508 BMCL193669 Compound 26::N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8d Beta-secretase 1 Homo sapiens 9 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11215541 56464945 ZINC42807978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48372 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCCS1(=O)=O InChI=1S/C29H42N4O4S/c1-2-30-25-18-23(19-26(20-25)33-15-9-10-16-38(33,36)37)29(35)32-27(17-22-11-5-3-6-12-22)28(34)21-31-24-13-7-4-8-14-24/h3,5-6,11-12,18-20,24,27-28,30-31,34H,2,4,7-10,13-17,21H2,1H3,(H,32,35)/t27-,28+/m0/s1 PKMPPUBHPJPCRL-WUFINQPMSA-N 26509 N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::sultam hydroxyethylamine (HEA) derivative, 9d Beta-secretase 1 Homo sapiens 69 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878895 56464946 ZINC44360310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48373 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1 STVPNNWNBWFITL-UKILVPOCSA-N 26510 BMCL193669 Compound 18::N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8e Beta-secretase 1 Homo sapiens 20 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11444313 56464947 ZINC40429666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48374 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O InChI=1S/C26H36N4O4S/c1-2-27-22-15-20(16-23(17-22)30-12-6-7-13-35(30,33)34)26(32)29-24(14-19-8-4-3-5-9-19)25(31)18-28-21-10-11-21/h3-5,8-9,15-17,21,24-25,27-28,31H,2,6-7,10-14,18H2,1H3,(H,29,32)/t24-,25+/m0/s1 AMVDNFIQANYLEW-LOSJGSFVSA-N 26511 BMCL193669 Compound 17::N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::sultam hydroxyethylamine (HEA) derivative, 9e Beta-secretase 1 Homo sapiens 120 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878946 56464948 ZINC40952890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48375 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC InChI=1S/C25H32N4O4S/c1-4-18-16-29-10-11-34(32,33)28(3)22-14-19(13-20(18)24(22)29)25(31)27-21(23(30)15-26-2)12-17-8-6-5-7-9-17/h5-9,13-14,16,21,23,26,30H,4,10-12,15H2,1-3H3,(H,27,31)/t21-,23+/m0/s1 GXBZBNGARSSJGU-JTHBVZDNSA-N 26512 3-ethyl-N-[(2S,3R)-3-hydroxy-4-(methylamino)-1-phenylbutan-2-yl]-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::BMCL193669 Compound 28::tricyclic hydroxyethylamine (HEA) derivative, 8f Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11785880 56464949 ZINC36436615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48376 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC)N1CCCCS1(=O)=O InChI=1S/C24H34N4O4S/c1-3-26-20-14-19(15-21(16-20)28-11-7-8-12-33(28,31)32)24(30)27-22(23(29)17-25-2)13-18-9-5-4-6-10-18/h4-6,9-10,14-16,22-23,25-26,29H,3,7-8,11-13,17H2,1-2H3,(H,27,30)/t22-,23+/m0/s1 RGVHPEANFGTPJD-XZOQPEGZSA-N 26513 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-4-(methylamino)-1-phenylbutan-2-yl]benzamide::sultam hydroxyethylamine (HEA) derivative, 9f Beta-secretase 1 Homo sapiens 140 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm800138h 10.7270/Q2XS5SQR 18457381 aid1798695 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; East, P; Hawkins, J; Howes, C; Hussain, I; Jeffrey, P; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878948 56464950 ZINC40953514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48855 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C31H34F3N3O4/c1-2-41-26-17-23(16-25(18-26)37-13-7-12-29(37)39)30(40)36-27(15-21-8-4-3-5-9-21)28(38)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35,38H,2,7,12-13,15,19-20H2,1H3,(H,36,40)/t27-,28+/m0/s1 RNICSWUEDSWABW-WUFINQPMSA-N 26768 3-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide::hydroxy ethylamine (HEA), 1 Beta-secretase 1 Homo sapiens 380 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190481 57298480 ZINC29039581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48856 CCOc1cc(cc(c1)C1=C(C)CCC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C33H35F3N2O4/c1-3-42-27-17-24(31-21(2)12-13-29(31)39)16-25(18-27)32(41)38-28(15-22-8-5-4-6-9-22)30(40)20-37-19-23-10-7-11-26(14-23)33(34,35)36/h4-11,14,16-18,28,30,37,40H,3,12-13,15,19-20H2,1-2H3,(H,38,41)/t28-,30+/m0/s1 WWXGDXAFNGFFSZ-MFMCTBQISA-N 26769 3-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-5-(2-methyl-5-oxocyclopent-1-en-1-yl)benzamide::hydroxy ethylamine (HEA), 2 Beta-secretase 1 Homo sapiens 250 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190482 57298481 ZINC29039588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48857 CCOc1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C35H35F3N2O4/c1-3-44-29-19-26(31-15-8-7-14-30(31)23(2)41)18-27(20-29)34(43)40-32(17-24-10-5-4-6-11-24)33(42)22-39-21-25-12-9-13-28(16-25)35(36,37)38/h4-16,18-20,32-33,39,42H,3,17,21-22H2,1-2H3,(H,40,43)/t32-,33+/m0/s1 YJKAWDNPEIHQRW-JHOUSYSJSA-N 26770 3-(2-acetylphenyl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 3 Beta-secretase 1 Homo sapiens 280 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190483 57298482 ZINC29039590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48858 CCOc1cc(cc(c1)-c1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C34H32F3N3O3/c1-2-43-29-18-26(30-14-7-6-12-25(30)20-38)17-27(19-29)33(42)40-31(16-23-9-4-3-5-10-23)32(41)22-39-21-24-11-8-13-28(15-24)34(35,36)37/h3-15,17-19,31-32,39,41H,2,16,21-22H2,1H3,(H,40,42)/t31-,32+/m0/s1 BNYUGOVGEXCJEV-AJQTZOPKSA-N 26771 3-(2-cyanophenyl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 4 Beta-secretase 1 Homo sapiens 160 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190484 57298483 ZINC29039592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48859 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCS1(=O)=O InChI=1S/C30H34F3N3O5S/c1-2-41-26-17-23(16-25(18-26)36-12-7-13-42(36,39)40)29(38)35-27(15-21-8-4-3-5-9-21)28(37)20-34-19-22-10-6-11-24(14-22)30(31,32)33/h3-6,8-11,14,16-18,27-28,34,37H,2,7,12-13,15,19-20H2,1H3,(H,35,38)/t27-,28+/m0/s1 QCGIDYZRRCDEKC-WUFINQPMSA-N 26772 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 5 Beta-secretase 1 Homo sapiens 50 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190485 57298484 ZINC29039594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48860 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C31H36F3N3O5S/c1-2-42-27-18-24(17-26(19-27)37-13-6-7-14-43(37,40)41)30(39)36-28(16-22-9-4-3-5-10-22)29(38)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35,38H,2,6-7,13-14,16,20-21H2,1H3,(H,36,39)/t28-,29+/m0/s1 OYLCLJYJJSLIFC-URLMMPGGSA-N 26773 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 6 Beta-secretase 1 Homo sapiens 6 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190486 57298485 ZINC29039596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48861 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 GPMRAYXRPZKTFK-URLMMPGGSA-N 26502 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 7::BMCL193664 Compound 24::BMCL193664 Compound 9::BMCL193669 Compound 8::sultam hydroxyethylamine (HEA) derivative, 1 Beta-secretase 1 Homo sapiens 3 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM8 2VNM 24794397 56464939 ZINC16052624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48862 CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C32H38F3N3O4S/c1-2-9-24-16-26(20-28(18-24)38-14-6-7-15-43(38,41)42)31(40)37-29(19-23-10-4-3-5-11-23)30(39)22-36-21-25-12-8-13-27(17-25)32(33,34)35/h3-5,8,10-13,16-18,20,29-30,36,39H,2,6-7,9,14-15,19,21-22H2,1H3,(H,37,40)/t29-,30+/m0/s1 FDUNRVDGFUHUJI-XZWHSSHBSA-N 26774 3-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-5-propylbenzamide::hydroxy ethylamine (HEA), 8 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190487 57298486 ZINC29039598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48863 CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C32H39F3N4O4S/c1-22(2)37-27-17-25(18-28(19-27)39-13-6-7-14-44(39,42)43)31(41)38-29(16-23-9-4-3-5-10-23)30(40)21-36-20-24-11-8-12-26(15-24)32(33,34)35/h3-5,8-12,15,17-19,22,29-30,36-37,40H,6-7,13-14,16,20-21H2,1-2H3,(H,38,41)/t29-,30+/m0/s1 BQOZRTKLLZQOLL-XZWHSSHBSA-N 26775 3-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-5-(propan-2-ylamino)benzamide::hydroxy ethylamine (HEA), 9 Beta-secretase 1 Homo sapiens 11 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190488 57298487 ZINC29039600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48864 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O InChI=1S/C31H36F3N3O6S/c1-2-42-27-18-24(17-25(19-27)37-13-6-7-14-44(37,40)41)30(39)36-28(16-22-9-4-3-5-10-22)29(38)21-35-20-23-11-8-12-26(15-23)43-31(32,33)34/h3-5,8-12,15,17-19,28-29,35,38H,2,6-7,13-14,16,20-21H2,1H3,(H,36,39)/t28-,29+/m0/s1 YEZDYUAEDBVCGS-URLMMPGGSA-N 26776 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethoxy)phenyl]methyl}amino)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 10 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190489 57298488 ZINC29039602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48865 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O InChI=1S/C31H37F3N4O5S/c1-2-36-25-17-24(18-26(19-25)38-13-6-7-14-44(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-27(15-23)43-31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 XLBWUOMBCABEHD-URLMMPGGSA-N 26777 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethoxy)phenyl]methyl}amino)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 11 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190490 57298489 ZINC29039604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48866 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCCS1(=O)=O InChI=1S/C30H38N4O4S/c1-2-32-26-18-25(19-27(20-26)34-15-9-10-16-39(34,37)38)30(36)33-28(17-23-11-5-3-6-12-23)29(35)22-31-21-24-13-7-4-8-14-24/h3-8,11-14,18-20,28-29,31-32,35H,2,9-10,15-17,21-22H2,1H3,(H,33,36)/t28-,29+/m0/s1 WUYOJSGIKRCAKP-URLMMPGGSA-N 26505 BMCL181022 Compound 12::N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::sultam hydroxyethylamine (HEA) derivative, 9b Beta-secretase 1 Homo sapiens 120 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878893 56464942 ZINC29039606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48867 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCCS1(=O)=O InChI=1S/C32H40N4O4S/c1-2-33-26-19-25(20-27(21-26)36-16-8-9-17-41(36,39)40)32(38)35-30(18-23-10-4-3-5-11-23)31(37)22-34-29-15-14-24-12-6-7-13-28(24)29/h3-7,10-13,19-21,29-31,33-34,37H,2,8-9,14-18,22H2,1H3,(H,35,38)/t29-,30-,31+/m0/s1 PRQFEELAHDKHBV-RWSKJCERSA-N 26778 N-[(2S,3R)-4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::hydroxy ethylamine (HEA), 13 Beta-secretase 1 Homo sapiens 34 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190491 57298490 ZINC29039608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48868 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCc2ccc(OC)cc12)N1CCCCS1(=O)=O InChI=1S/C33H42N4O5S/c1-3-34-26-18-25(19-27(20-26)37-15-7-8-16-43(37,40)41)33(39)36-31(17-23-9-5-4-6-10-23)32(38)22-35-30-14-12-24-11-13-28(42-2)21-29(24)30/h4-6,9-11,13,18-21,30-32,34-35,38H,3,7-8,12,14-17,22H2,1-2H3,(H,36,39)/t30?,31-,32+/m0/s1 AZLWHCAOZGWHCN-XXWVNBFBSA-N 26779 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]benzamide::BMCL193664 Compound 26::hydroxy ethylamine (HEA), 14 Beta-secretase 1 Homo sapiens 18 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190492 57298491 ZINC29039612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48869 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCCS1(=O)=O InChI=1S/C29H40N6O4S/c1-3-31-25-15-24(16-26(17-25)35-12-8-9-13-40(35,38)39)29(37)33-27(14-22-10-6-5-7-11-22)28(36)20-30-18-23-19-32-34(4-2)21-23/h5-7,10-11,15-17,19,21,27-28,30-31,36H,3-4,8-9,12-14,18,20H2,1-2H3,(H,33,37)/t27-,28+/m0/s1 FRCSXRRNAXDKOX-WUFINQPMSA-N 26780 3-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(2S,3R)-4-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-(ethylamino)benzamide::BMCL193664 Compound 5::hydroxy ethylamine (HEA), 15 Beta-secretase 1 Homo sapiens 12 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190493 57298492 ZINC29039614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48870 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C31H40N4O5S/c1-3-33-26-18-25(19-27(20-26)35-14-7-8-15-41(35,38)39)31(37)34-29(17-23-10-5-4-6-11-23)30(36)22-32-21-24-12-9-13-28(16-24)40-2/h4-6,9-13,16,18-20,29-30,32-33,36H,3,7-8,14-15,17,21-22H2,1-2H3,(H,34,37)/t29-,30+/m0/s1 SHIKCAICRTZTAO-XZWHSSHBSA-N 26781 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]benzamide::hydroxy ethylamine (HEA), 16 Beta-secretase 1 Homo sapiens 8 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190494 57298493 ZINC29039616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48871 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C31H38F2N4O5S/c1-3-35-26-15-23(16-27(18-26)37-9-4-5-10-43(37,40)41)31(39)36-29(14-22-11-24(32)17-25(33)12-22)30(38)20-34-19-21-7-6-8-28(13-21)42-2/h6-8,11-13,15-18,29-30,34-35,38H,3-5,9-10,14,19-20H2,1-2H3,(H,36,39)/t29-,30+/m0/s1 OYRJVJLVRLQYHL-XZWHSSHBSA-N 26782 N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::hydroxy ethylamine (HEA), 17 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190495 57298494 ZINC29039618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48872 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccco1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C29H38N4O6S/c1-3-31-23-15-22(16-24(17-23)33-11-4-5-13-40(33,36)37)29(35)32-27(18-26-10-7-12-39-26)28(34)20-30-19-21-8-6-9-25(14-21)38-2/h6-10,12,14-17,27-28,30-31,34H,3-5,11,13,18-20H2,1-2H3,(H,32,35)/t27-,28+/m0/s1 DZDPXRZSBXSGCD-WUFINQPMSA-N 26783 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-1-(furan-2-yl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]benzamide::hydroxy ethylamine (HEA), 18 Beta-secretase 1 Homo sapiens 40 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190496 57298495 ZINC29039620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48873 CCNc1cc(cc(c1)C(=O)N[C@@H](Cn1cccn1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C28H38N6O5S/c1-3-30-23-15-22(16-24(17-23)34-12-4-5-13-40(34,37)38)28(36)32-26(20-33-11-7-10-31-33)27(35)19-29-18-21-8-6-9-25(14-21)39-2/h6-11,14-17,26-27,29-30,35H,3-5,12-13,18-20H2,1-2H3,(H,32,36)/t26-,27+/m0/s1 OFELJLDMFBJYRB-RRPNLBNLSA-N 26784 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}-1-(1H-pyrazol-1-yl)butan-2-yl]benzamide::hydroxy ethylamine (HEA), 19 Beta-secretase 1 Homo sapiens 2690 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190497 57298496 ZINC29039622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48874 CCNc1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C28H42N4O5S/c1-5-30-23-15-22(16-24(17-23)32-11-6-7-12-38(32,35)36)28(34)31-26(13-20(2)3)27(33)19-29-18-21-9-8-10-25(14-21)37-4/h8-10,14-17,20,26-27,29-30,33H,5-7,11-13,18-19H2,1-4H3,(H,31,34)/t26-,27+/m0/s1 AFXWQUICQRHFQB-RRPNLBNLSA-N 26785 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2R,3S)-2-hydroxy-1-{[(3-methoxyphenyl)methyl]amino}-5-methylhexan-3-yl]benzamide::hydroxy ethylamine (HEA), 20 Beta-secretase 1 Homo sapiens 5750 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190498 57298497 ZINC59029412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48875 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C31H39FN4O5S/c1-3-34-24-18-26(30(32)28(19-24)36-14-7-8-15-42(36,39)40)31(38)35-27(17-22-10-5-4-6-11-22)29(37)21-33-20-23-12-9-13-25(16-23)41-2/h4-6,9-13,16,18-19,27,29,33-34,37H,3,7-8,14-15,17,20-21H2,1-2H3,(H,35,38)/t27-,29+/m0/s1 UGVUREZIOUDVMM-LMSSTIIKSA-N 26786 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]benzamide::hydroxy ethylamine (HEA), 21 Beta-secretase 1 Homo sapiens 4 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190499 57298498 ZINC29039632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48876 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1 InChI=1S/C29H39FN6O4S/c1-3-32-23-15-24(28(30)26(16-23)36-12-8-9-13-41(36,39)40)29(38)34-25(14-21-10-6-5-7-11-21)27(37)19-31-17-22-18-33-35(4-2)20-22/h5-7,10-11,15-16,18,20,25,27,31-32,37H,3-4,8-9,12-14,17,19H2,1-2H3,(H,34,38)/t25-,27+/m0/s1 KNUSIDUILOGCPF-AHKZPQOWSA-N 26787 3-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(2S,3R)-4-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-(ethylamino)-2-fluorobenzamide::hydroxy ethylamine (HEA), 22 Beta-secretase 1 Homo sapiens 6 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190500 57298499 ZINC29039635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 48877 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H36F4N4O4S/c1-2-37-24-17-25(29(32)27(18-24)39-13-6-7-14-44(39,42)43)30(41)38-26(16-21-9-4-3-5-10-21)28(40)20-36-19-22-11-8-12-23(15-22)31(33,34)35/h3-5,8-12,15,17-18,26,28,36-37,40H,2,6-7,13-14,16,19-20H2,1H3,(H,38,41)/t26-,28+/m0/s1 DGEILIRHSDUTDK-XTEPFMGCSA-N 26788 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 23::GSK188909 Beta-secretase 1 Homo sapiens 4 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2007.12.020 10.7270/Q2MC8XBP 18171615 aid1798729 Beswick, P; Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Gleave, R; Hawkins, J; Hussain, I; Johnson, CN; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Skidmore, J; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Stuart, A; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15981486 57298500 ZINC04401730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54212 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C InChI=1S/C32H46N4O4S/c1-7-24-20-36-21-41(39,40)35(6)28-18-25(17-26(24)30(28)36)31(38)34-27(16-23-13-9-8-10-14-23)29(37)19-33-32(4,5)15-11-12-22(2)3/h8-10,13-14,17-18,20,22,27,29,33,37H,7,11-12,15-16,19,21H2,1-6H3,(H,34,38)/t27-,29+/m0/s1 GPAVTBALSLYNRZ-LMSSTIIKSA-N 29783 6,6,5 tricyclic sulfonamide, 23 Beta-secretase 1 Homo sapiens 23 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11227430 85147549 ZINC42923527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54213 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C InChI=1S/C33H48N4O4S/c1-7-25-22-37-16-17-42(40,41)36(6)29-20-26(19-27(25)31(29)37)32(39)35-28(18-24-13-9-8-10-14-24)30(38)21-34-33(4,5)15-11-12-23(2)3/h8-10,13-14,19-20,22-23,28,30,34,38H,7,11-12,15-18,21H2,1-6H3,(H,35,39)/t28-,30+/m0/s1 WICLUVROROXQTO-MFMCTBQISA-N 26506 BMCL193669 Compound 24::N-[(2S,3R)-4-[(2,6-dimethylheptan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8c Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11308212 56464943 ZINC42806162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54214 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 InChI=1S/C29H38N4O4S/c1-3-21-18-33-19-38(36,37)32(2)26-16-22(15-24(21)28(26)33)29(35)31-25(14-20-10-6-4-7-11-20)27(34)17-30-23-12-8-5-9-13-23/h4,6-7,10-11,15-16,18,23,25,27,30,34H,3,5,8-9,12-14,17,19H2,1-2H3,(H,31,35)/t25-,27+/m0/s1 JFEIECKPYMIBAC-AHKZPQOWSA-N 29784 6,6,5 tricyclic sulfonamide, 25 Beta-secretase 1 Homo sapiens 60 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11250223 85147550 ZINC42963415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54215 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 InChI=1S/C30H40N4O4S/c1-3-22-20-34-14-15-39(37,38)33(2)27-18-23(17-25(22)29(27)34)30(36)32-26(16-21-10-6-4-7-11-21)28(35)19-31-24-12-8-5-9-13-24/h4,6-7,10-11,17-18,20,24,26,28,31,35H,3,5,8-9,12-16,19H2,1-2H3,(H,32,36)/t26-,28+/m0/s1 MZZUETJXSRAUTC-XTEPFMGCSA-N 26508 BMCL193669 Compound 26::N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8d Beta-secretase 1 Homo sapiens 9 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11215541 56464945 ZINC42807978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54216 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC InChI=1S/C24H30N4O4S/c1-4-17-14-28-15-33(31,32)27(3)21-12-18(11-19(17)23(21)28)24(30)26-20(22(29)13-25-2)10-16-8-6-5-7-9-16/h5-9,11-12,14,20,22,25,29H,4,10,13,15H2,1-3H3,(H,26,30)/t20-,22+/m0/s1 POGMNGBOVVGHGD-RBBKRZOGSA-N 29785 6,6,5 tricyclic sulfonamide, 27 Beta-secretase 1 Homo sapiens 91 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11178891 85147551 ZINC38335979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54217 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC InChI=1S/C25H32N4O4S/c1-4-18-16-29-10-11-34(32,33)28(3)22-14-19(13-20(18)24(22)29)25(31)27-21(23(30)15-26-2)12-17-8-6-5-7-9-17/h5-9,13-14,16,21,23,26,30H,4,10-12,15H2,1-3H3,(H,27,31)/t21-,23+/m0/s1 GXBZBNGARSSJGU-JTHBVZDNSA-N 26512 3-ethyl-N-[(2S,3R)-3-hydroxy-4-(methylamino)-1-phenylbutan-2-yl]-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::BMCL193669 Compound 28::tricyclic hydroxyethylamine (HEA) derivative, 8f Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11785880 56464949 ZINC36436615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54218 CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H40N4O5S/c1-4-25-22-37-14-9-15-43(40,41)36(2)30-19-26(18-28(25)32(30)37)33(39)35-29(17-23-10-6-5-7-11-23)31(38)21-34-20-24-12-8-13-27(16-24)42-3/h5-8,10-13,16,18-19,22,29,31,34,38H,4,9,14-15,17,20-21H2,1-3H3,(H,35,39)/t29-,31+/m0/s1 ZOHZQJBRAJSDQU-IGYGKHONSA-N 29786 8,6,5 tricyclic sulfonamide, 32 Beta-secretase 1 Homo sapiens 28 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11578023 85147552 ZINC70622141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54219 CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C28H36N4O4S/c1-3-20-18-32-12-7-13-37(35,36)31(2)25-16-21(15-23(20)27(25)32)28(34)30-24(14-19-8-5-4-6-9-19)26(33)17-29-22-10-11-22/h4-6,8-9,15-16,18,22,24,26,29,33H,3,7,10-14,17H2,1-2H3,(H,30,34)/t24-,26+/m0/s1 HKWZRHATYFWBJJ-AZGAKELHSA-N 29787 8,6,5 tricyclic sulfonamide, 33 Beta-secretase 1 Homo sapiens 490 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143281 85147553 ZINC62233568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54220 CCc1cn2CCS(=O)(=O)Nc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C31H36N4O5S/c1-3-23-20-35-12-13-41(38,39)34-28-17-24(16-26(23)30(28)35)31(37)33-27(15-21-8-5-4-6-9-21)29(36)19-32-18-22-10-7-11-25(14-22)40-2/h4-11,14,16-17,20,27,29,32,34,36H,3,12-13,15,18-19H2,1-2H3,(H,33,37)/t27-,29+/m0/s1 WPHAMDWBDNXCBJ-LMSSTIIKSA-N 29788 7,6,5 tricyclic sulfonamide, 34 Beta-secretase 1 Homo sapiens 14 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11215318 85147554 ZINC42920398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54221 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C30H40N4O5S/c1-3-22-20-33-12-15-40(37,38)34(4-2)27-18-23(17-25(22)29(27)33)30(36)32-26(16-21-8-6-5-7-9-21)28(35)19-31-24-10-13-39-14-11-24/h5-9,17-18,20,24,26,28,31,35H,3-4,10-16,19H2,1-2H3,(H,32,36)/t26-,28+/m0/s1 VHIKANGIVZQCPI-XTEPFMGCSA-N 29789 7,6,5 tricyclic sulfonamide, 35 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11444912 85147555 ZINC43122439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54222 CCc1cn2CCS(=O)(=O)N(C(C)C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C31H42N4O5S/c1-4-23-20-34-12-15-41(38,39)35(21(2)3)28-18-24(17-26(23)30(28)34)31(37)33-27(16-22-8-6-5-7-9-22)29(36)19-32-25-10-13-40-14-11-25/h5-9,17-18,20-21,25,27,29,32,36H,4,10-16,19H2,1-3H3,(H,33,37)/t27-,29+/m0/s1 BKJAHVKDVOINBT-LMSSTIIKSA-N 29790 7,6,5 tricyclic sulfonamide, 36 Beta-secretase 1 Homo sapiens 23 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11467778 85147556 ZINC42920203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54223 CCc1cn2CCS(=O)(=O)N(CC(F)(F)F)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C30H37F3N4O5S/c1-2-21-18-36-10-13-43(40,41)37(19-30(31,32)33)26-16-22(15-24(21)28(26)36)29(39)35-25(14-20-6-4-3-5-7-20)27(38)17-34-23-8-11-42-12-9-23/h3-7,15-16,18,23,25,27,34,38H,2,8-14,17,19H2,1H3,(H,35,39)/t25-,27+/m0/s1 GLEZETRPRUIAGJ-AHKZPQOWSA-N 29791 7,6,5 tricyclic sulfonamide, 37 Beta-secretase 1 Homo sapiens 29 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11377351 85147557 ZINC42965485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54224 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 InChI=1S/C31H42N4O4S/c1-3-23-21-34-15-16-40(38,39)35(4-2)28-19-24(18-26(23)30(28)34)31(37)33-27(17-22-11-7-5-8-12-22)29(36)20-32-25-13-9-6-10-14-25/h5,7-8,11-12,18-19,21,25,27,29,32,36H,3-4,6,9-10,13-17,20H2,1-2H3,(H,33,37)/t27-,29+/m0/s1 XBSGWVTXAJRWKB-LMSSTIIKSA-N 29792 7,6,5 tricyclic sulfonamide, 38 Beta-secretase 1 Homo sapiens 7 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11227304 85147558 ZINC42963555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54225 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C28H36N4O4S/c1-3-20-18-31-12-13-37(35,36)32(4-2)25-16-21(15-23(20)27(25)31)28(34)30-24(14-19-8-6-5-7-9-19)26(33)17-29-22-10-11-22/h5-9,15-16,18,22,24,26,29,33H,3-4,10-14,17H2,1-2H3,(H,30,34)/t24-,26+/m0/s1 NPKMQRVOVLQVSN-AZGAKELHSA-N 29793 7,6,5 tricyclic sulfonamide, 39 Beta-secretase 1 Homo sapiens 20 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143282 85147559 ZINC42923591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54137 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H36F4N4O4S/c1-2-37-24-17-25(29(32)27(18-24)39-13-6-7-14-44(39,42)43)30(41)38-26(16-21-9-4-3-5-10-21)28(40)20-36-19-22-11-8-12-23(15-22)31(33,34)35/h3-5,8-12,15,17-18,26,28,36-37,40H,2,6-7,13-14,16,19-20H2,1H3,(H,38,41)/t26-,28+/m0/s1 DGEILIRHSDUTDK-XTEPFMGCSA-N 26788 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 23::GSK188909 Beta-secretase 1 Homo sapiens 2 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15981486 57298500 ZINC04401730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54138 CCNc1cc(N2CCCC2=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H34F4N4O3/c1-2-37-23-16-24(29(32)26(17-23)39-13-7-12-28(39)41)30(42)38-25(15-20-8-4-3-5-9-20)27(40)19-36-18-21-10-6-11-22(14-21)31(33,34)35/h3-6,8-11,14,16-17,25,27,36-37,40H,2,7,12-13,15,18-19H2,1H3,(H,38,42)/t25-,27+/m0/s1 RQXGWBAZTYRGOW-AHKZPQOWSA-N 29755 hydroxyethylamine derivative, 4 Beta-secretase 1 Homo sapiens 9 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143257 85147521 ZINC44307190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54139 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCCS1(=O)=O InChI=1S/C29H40N6O4S/c1-3-31-25-15-24(16-26(17-25)35-12-8-9-13-40(35,38)39)29(37)33-27(14-22-10-6-5-7-11-22)28(36)20-30-18-23-19-32-34(4-2)21-23/h5-7,10-11,15-17,19,21,27-28,30-31,36H,3-4,8-9,12-14,18,20H2,1-2H3,(H,33,37)/t27-,28+/m0/s1 FRCSXRRNAXDKOX-WUFINQPMSA-N 26780 3-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(2S,3R)-4-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-(ethylamino)benzamide::BMCL193664 Compound 5::hydroxy ethylamine (HEA), 15 Beta-secretase 1 Homo sapiens 10 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190493 57298492 ZINC29039614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54140 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1 QPGDTFHILHXFBQ-WUFINQPMSA-N 29756 CHEMBL403429::hydroxyethylamine derivative, 6 Beta-secretase 1 Homo sapiens 49 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG6 2VJ7 10008157 85147522 CHEMBL403429 ZINC16052618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54141 CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H37F3N4O3/c1-3-37-26-17-24(18-28(21(26)2)39-14-8-13-30(39)41)31(42)38-27(16-22-9-5-4-6-10-22)29(40)20-36-19-23-11-7-12-25(15-23)32(33,34)35/h4-7,9-12,15,17-18,27,29,36-37,40H,3,8,13-14,16,19-20H2,1-2H3,(H,38,42)/t27-,29+/m0/s1 XSDWSIBQQPTUOF-LMSSTIIKSA-N 29757 hydroxyethylamine derivative, 7 Beta-secretase 1 Homo sapiens 63 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143258 85147523 ZINC44359429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54142 CCNc1cc(cc(N2CCCC2=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H37F3N4O4/c1-3-37-26-17-23(18-27(30(26)43-2)39-14-8-13-29(39)41)31(42)38-25(16-21-9-5-4-6-10-21)28(40)20-36-19-22-11-7-12-24(15-22)32(33,34)35/h4-7,9-12,15,17-18,25,28,36-37,40H,3,8,13-14,16,19-20H2,1-2H3,(H,38,42)/t25-,28+/m0/s1 GKNLPEWXTIMDRO-LBNVMWSVSA-N 29758 hydroxyethylamine derivative, 8 Beta-secretase 1 Homo sapiens 110 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143259 85147524 ZINC44280659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54143 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 GPMRAYXRPZKTFK-URLMMPGGSA-N 26502 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 7::BMCL193664 Compound 24::BMCL193664 Compound 9::BMCL193669 Compound 8::sultam hydroxyethylamine (HEA) derivative, 1 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM8 2VNM 24794397 56464939 ZINC16052624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54144 CCNc1cc(cc(N2CCCCS2(=O)=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H39F3N4O4S/c1-3-37-27-18-25(19-29(22(27)2)39-14-7-8-15-44(39,42)43)31(41)38-28(17-23-10-5-4-6-11-23)30(40)21-36-20-24-12-9-13-26(16-24)32(33,34)35/h4-6,9-13,16,18-19,28,30,36-37,40H,3,7-8,14-15,17,20-21H2,1-2H3,(H,38,41)/t28-,30+/m0/s1 GYMHELIUJKCORO-MFMCTBQISA-N 29759 hydroxyethylamine derivative, 10 Beta-secretase 1 Homo sapiens 23 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143260 85147525 ZINC42834921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54145 CCNc1cc(cc(N2CCCCS2(=O)=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H39F3N4O5S/c1-3-37-27-18-24(19-28(30(27)44-2)39-14-7-8-15-45(39,42)43)31(41)38-26(17-22-10-5-4-6-11-22)29(40)21-36-20-23-12-9-13-25(16-23)32(33,34)35/h4-6,9-13,16,18-19,26,29,36-37,40H,3,7-8,14-15,17,20-21H2,1-2H3,(H,38,41)/t26-,29+/m0/s1 GDPXKICHFRFONP-LITSAYRRSA-N 29760 hydroxyethylamine derivative, 11 Beta-secretase 1 Homo sapiens 18 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143261 85147526 ZINC49888934 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54146 CCn1cnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C32H34F3N5O3/c1-2-39-20-37-30-26(39)16-23(17-27(30)40-13-7-12-29(40)42)31(43)38-25(15-21-8-4-3-5-9-21)28(41)19-36-18-22-10-6-11-24(14-22)32(33,34)35/h3-6,8-11,14,16-17,20,25,28,36,41H,2,7,12-13,15,18-19H2,1H3,(H,38,43)/t25-,28+/m0/s1 JTMOMHWUYKYKBN-LBNVMWSVSA-N 29761 hydroxyethylamine derivative, 16 Beta-secretase 1 Homo sapiens 19 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143262 85147527 ZINC42807712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54147 CCn1ccc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C33H35F3N4O3/c1-2-39-15-13-26-28(39)18-24(19-29(26)40-14-7-12-31(40)42)32(43)38-27(17-22-8-4-3-5-9-22)30(41)21-37-20-23-10-6-11-25(16-23)33(34,35)36/h3-6,8-11,13,15-16,18-19,27,30,37,41H,2,7,12,14,17,20-21H2,1H3,(H,38,43)/t27-,30+/m0/s1 BJAZGJCGTUFTCO-BHBYDHKZSA-N 29762 hydroxyethylamine derivative, 17 Beta-secretase 1 Homo sapiens 23 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143263 85147528 ZINC42803087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54148 CCc1c[nH]c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C33H35F3N4O3/c1-2-23-19-38-31-26(23)16-24(17-28(31)40-13-7-12-30(40)42)32(43)39-27(15-21-8-4-3-5-9-21)29(41)20-37-18-22-10-6-11-25(14-22)33(34,35)36/h3-6,8-11,14,16-17,19,27,29,37-38,41H,2,7,12-13,15,18,20H2,1H3,(H,39,43)/t27-,29+/m0/s1 MHUJDBRPTZFLGV-LMSSTIIKSA-N 29763 hydroxyethylamine derivative, 18a Beta-secretase 1 Homo sapiens 26 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143264 85147529 ZINC44306788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54149 CCn1ncc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C32H34F3N5O3/c1-2-40-28-17-23(16-27(25(28)19-37-40)39-13-7-12-30(39)42)31(43)38-26(15-21-8-4-3-5-9-21)29(41)20-36-18-22-10-6-11-24(14-22)32(33,34)35/h3-6,8-11,14,16-17,19,26,29,36,41H,2,7,12-13,15,18,20H2,1H3,(H,38,43)/t26-,29+/m0/s1 JWSLPJZVLFZEJV-LITSAYRRSA-N 29764 hydroxyethylamine derivative, 19 Beta-secretase 1 Homo sapiens 28 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143265 85147530 ZINC44351753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54150 CCn1nnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C31H33F3N6O3/c1-2-40-26-17-22(16-25(29(26)37-38-40)39-13-7-12-28(39)42)30(43)36-24(15-20-8-4-3-5-9-20)27(41)19-35-18-21-10-6-11-23(14-21)31(32,33)34/h3-6,8-11,14,16-17,24,27,35,41H,2,7,12-13,15,18-19H2,1H3,(H,36,43)/t24-,27+/m0/s1 WJVIKTWKVRMSDW-RPLLCQBOSA-N 29765 hydroxyethylamine derivative, 20 Beta-secretase 1 Homo sapiens 34 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143266 85147531 ZINC44350985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54151 CCc1cn(C)c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C34H37F3N4O3/c1-3-24-21-40(2)32-27(24)17-25(18-29(32)41-14-8-13-31(41)43)33(44)39-28(16-22-9-5-4-6-10-22)30(42)20-38-19-23-11-7-12-26(15-23)34(35,36)37/h4-7,9-12,15,17-18,21,28,30,38,42H,3,8,13-14,16,19-20H2,1-2H3,(H,39,44)/t28-,30+/m0/s1 LETZXDGOOFGVHV-MFMCTBQISA-N 29766 hydroxyethylamine derivative, 18b Beta-secretase 1 Homo sapiens 40 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143267 85147532 ZINC42835176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54152 CCc1coc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C33H34F3N3O4/c1-2-23-20-43-31-26(23)16-24(17-28(31)39-13-7-12-30(39)41)32(42)38-27(15-21-8-4-3-5-9-21)29(40)19-37-18-22-10-6-11-25(14-22)33(34,35)36/h3-6,8-11,14,16-17,20,27,29,37,40H,2,7,12-13,15,18-19H2,1H3,(H,38,42)/t27-,29+/m0/s1 LXQLUGGTPKXSBK-LMSSTIIKSA-N 29767 hydroxyethylamine derivative, 21 Beta-secretase 1 Homo sapiens 87 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143268 85147533 ZINC44305790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54153 CCc1ccnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C34H35F3N4O3/c1-2-24-13-14-39-32-27(24)18-25(19-29(32)41-15-7-12-31(41)43)33(44)40-28(17-22-8-4-3-5-9-22)30(42)21-38-20-23-10-6-11-26(16-23)34(35,36)37/h3-6,8-11,13-14,16,18-19,28,30,38,42H,2,7,12,15,17,20-21H2,1H3,(H,40,44)/t28-,30+/m0/s1 YDNCUOPJVVQEMT-MFMCTBQISA-N 29768 hydroxyethylamine derivative, 22 Beta-secretase 1 Homo sapiens 210 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZY0 2WF0 44143269 85147534 ZINC38998461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54154 CCn1c2cc(cc(N3CCCC3=O)c2[nH]c1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C32H37N5O5/c1-3-36-26-17-23(18-27(30(26)35-32(36)41)37-14-8-13-29(37)39)31(40)34-25(16-21-9-5-4-6-10-21)28(38)20-33-19-22-11-7-12-24(15-22)42-2/h4-7,9-12,15,17-18,25,28,33,38H,3,8,13-14,16,19-20H2,1-2H3,(H,34,40)(H,35,41)/t25-,28+/m0/s1 RQAUBIXATGJXNE-LBNVMWSVSA-N 29769 hydroxyethylamine derivative, 23 Beta-secretase 1 Homo sapiens 420 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143270 85147535 ZINC44307778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54155 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C33H41F3N4O4S/c1-4-37-27-18-24(19-28(21-27)40-15-8-9-16-45(40,43)44)31(42)39-29(17-23-11-6-5-7-12-23)30(41)22-38-32(2,3)25-13-10-14-26(20-25)33(34,35)36/h5-7,10-14,18-21,29-30,37-38,41H,4,8-9,15-17,22H2,1-3H3,(H,39,42)/t29-,30+/m0/s1 LQKSXPXJHUCHMO-XZWHSSHBSA-N 29770 hydroxyethylamine derivative, 25 Beta-secretase 1 Homo sapiens 6 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143271 85147536 ZINC49899456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54156 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cncc(c1)C#N)N1CCCCS1(=O)=O InChI=1S/C30H36N6O4S/c1-2-34-26-14-25(15-27(16-26)36-10-6-7-11-41(36,39)40)30(38)35-28(13-22-8-4-3-5-9-22)29(37)21-33-20-24-12-23(17-31)18-32-19-24/h3-5,8-9,12,14-16,18-19,28-29,33-34,37H,2,6-7,10-11,13,20-21H2,1H3,(H,35,38)/t28-,29+/m0/s1 YNNNGZRXTAOFAM-URLMMPGGSA-N 29771 hydroxyethylamine derivative, 27 Beta-secretase 1 Homo sapiens 40 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143272 85147537 ZINC42805252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54191 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 GPMRAYXRPZKTFK-URLMMPGGSA-N 26502 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 7::BMCL193664 Compound 24::BMCL193664 Compound 9::BMCL193669 Compound 8::sultam hydroxyethylamine (HEA) derivative, 1 Beta-secretase 1 Homo sapiens 3 Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM8 2VNM 24794397 56464939 ZINC16052624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54192 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCc2ccc(OC)cc12)N1CCCCS1(=O)=O InChI=1S/C33H42N4O5S/c1-3-34-26-18-25(19-27(20-26)37-15-7-8-16-43(37,40)41)33(39)36-31(17-23-9-5-4-6-10-23)32(38)22-35-30-14-12-24-11-13-28(42-2)21-29(24)30/h4-6,9-11,13,18-21,30-32,34-35,38H,3,7-8,12,14-17,22H2,1-2H3,(H,36,39)/t30?,31-,32+/m0/s1 AZLWHCAOZGWHCN-XXWVNBFBSA-N 26779 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]benzamide::BMCL193664 Compound 26::hydroxy ethylamine (HEA), 14 Beta-secretase 1 Homo sapiens 18 Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.165 10.7270/Q2F18X23 19428244 aid1799029 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25190492 57298491 ZINC29039612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54197 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C31H37F3N4O4S/c1-2-36-26-17-24(18-27(19-26)38-13-6-7-14-43(38,41)42)30(40)37-28(16-22-9-4-3-5-10-22)29(39)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35-36,39H,2,6-7,13-14,16,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 GPMRAYXRPZKTFK-URLMMPGGSA-N 26502 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide::BMCL181022 Compound 7::BMCL193664 Compound 24::BMCL193664 Compound 9::BMCL193669 Compound 8::sultam hydroxyethylamine (HEA) derivative, 1 Beta-secretase 1 Homo sapiens 7 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM8 2VNM 24794397 56464939 ZINC16052624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54198 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H35F3N4O4S/c1-3-23-20-39-12-13-44(42,43)38(2)28-17-24(16-26(23)30(28)39)31(41)37-27(15-21-8-5-4-6-9-21)29(40)19-36-18-22-10-7-11-25(14-22)32(33,34)35/h4-11,14,16-17,20,27,29,36,40H,3,12-13,15,18-19H2,1-2H3,(H,37,41)/t27-,29+/m0/s1 MSHYGGHZTGSTOG-LMSSTIIKSA-N 26503 3-ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::BMCL193669 Compound 9::tricyclic hydroxyethylamine (HEA) derivative, 8a Beta-secretase 1 Homo sapiens 2 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM7 2VNN 11296859 56464940 ZINC16052623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54199 CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H40F3N5O4S/c1-3-39-12-13-40-14-15-45(43,44)38(2)27-18-24(19-28(39)30(27)40)31(42)37-26(17-22-8-5-4-6-9-22)29(41)21-36-20-23-10-7-11-25(16-23)32(33,34)35/h4-11,16,18-19,26-27,29-30,36,41H,3,12-15,17,20-21H2,1-2H3,(H,37,42)/t26-,27?,29+,30?/m0/s1 RRNNGAJPJXHPBJ-YOADDRSASA-N 29772 7,6,6 tricyclic sulfonamide, 10 Beta-secretase 1 Homo sapiens 26 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143273 85147538 ZINC49650163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54200 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H37F3N4O4S/c1-3-36-26-17-23(18-28-25(26)13-8-14-43(41,42)38(28)2)30(40)37-27(16-21-9-5-4-6-10-21)29(39)20-35-19-22-11-7-12-24(15-22)31(32,33)34/h4-7,9-12,15,17-18,27,29,35-36,39H,3,8,13-14,16,19-20H2,1-2H3,(H,37,40)/t27-,29+/m0/s1 WQHZROCXTAISEJ-LMSSTIIKSA-N 29773 bicyclic sulfonamide analogue, 11 Beta-secretase 1 Homo sapiens 19 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143274 85147539 ZINC42921860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54201 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1)N1CCCCS1(=O)=O InChI=1S/C28H40N4O5S/c1-2-29-24-17-22(18-25(19-24)32-12-6-7-15-38(32,35)36)28(34)31-26(16-21-8-4-3-5-9-21)27(33)20-30-23-10-13-37-14-11-23/h3-5,8-9,17-19,23,26-27,29-30,33H,2,6-7,10-16,20H2,1H3,(H,31,34)/t26-,27+/m0/s1 GSMXCHRMEXPRGE-RRPNLBNLSA-N 29774 cyclized sulfonamide analogue, 12 Beta-secretase 1 Homo sapiens 91 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143275 85147540 ZINC43072334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54202 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C29H38N4O5S/c1-3-21-19-33-11-14-39(36,37)32(2)26-17-22(16-24(21)28(26)33)29(35)31-25(15-20-7-5-4-6-8-20)27(34)18-30-23-9-12-38-13-10-23/h4-8,16-17,19,23,25,27,30,34H,3,9-15,18H2,1-2H3,(H,31,35)/t25-,27+/m0/s1 FBCAWJXDTWUBGJ-AHKZPQOWSA-N 29775 7,6,5 tricyclic sulfonamide, 13::BMCL193674 Compound 6 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11786748 85147541 ZINC43120168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54203 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C28H40N4O5S/c1-3-29-24-17-21(18-26-23(24)10-7-15-38(35,36)32(26)2)28(34)31-25(16-20-8-5-4-6-9-20)27(33)19-30-22-11-13-37-14-12-22/h4-6,8-9,17-18,22,25,27,29-30,33H,3,7,10-16,19H2,1-2H3,(H,31,34)/t25-,27+/m0/s1 KTXBXDPQEZZPTQ-AHKZPQOWSA-N 29776 bicyclic sulfonamide analogue, 14 Beta-secretase 1 Homo sapiens 190 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143276 85147542 ZINC43015336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54204 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F InChI=1S/C27H33F3N4O4S/c1-3-19-17-34-11-12-39(37,38)33(2)23-15-20(14-21(19)25(23)34)26(36)32-22(13-18-7-5-4-6-8-18)24(35)16-31-10-9-27(28,29)30/h4-8,14-15,17,22,24,31,35H,3,9-13,16H2,1-2H3,(H,32,36)/t22-,24+/m0/s1 JBSIWTPPHNMPRR-LADGPHEKSA-N 29777 7,6,5 tricyclic sulfonamide, 15::BMCL193674 Compound 8 Beta-secretase 1 Homo sapiens 7 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143277 85147543 ZINC43123453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54205 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F InChI=1S/C26H35F3N4O4S/c1-3-31-21-15-19(16-23-20(21)10-7-13-38(36,37)33(23)2)25(35)32-22(14-18-8-5-4-6-9-18)24(34)17-30-12-11-26(27,28)29/h4-6,8-9,15-16,22,24,30-31,34H,3,7,10-14,17H2,1-2H3,(H,32,35)/t22-,24+/m0/s1 CXEAEKCTSODPSS-LADGPHEKSA-N 29778 bicyclic sulfonamide analogue, 16 Beta-secretase 1 Homo sapiens 26 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143278 85147544 ZINC43066708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54206 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O InChI=1S/C26H36N4O4S/c1-2-27-22-15-20(16-23(17-22)30-12-6-7-13-35(30,33)34)26(32)29-24(14-19-8-4-3-5-9-19)25(31)18-28-21-10-11-21/h3-5,8-9,15-17,21,24-25,27-28,31H,2,6-7,10-14,18H2,1H3,(H,29,32)/t24-,25+/m0/s1 AMVDNFIQANYLEW-LOSJGSFVSA-N 26511 BMCL193669 Compound 17::N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide::sultam hydroxyethylamine (HEA) derivative, 9e Beta-secretase 1 Homo sapiens 120 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24878946 56464948 ZINC40952890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54207 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1 STVPNNWNBWFITL-UKILVPOCSA-N 26510 BMCL193669 Compound 18::N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8e Beta-secretase 1 Homo sapiens 20 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11444313 56464947 ZINC40429666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54208 CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H39N5O4S/c1-3-31-11-12-32-13-14-37(35,36)30(2)23-16-20(17-24(31)26(23)32)27(34)29-22(15-19-7-5-4-6-8-19)25(33)18-28-21-9-10-21/h4-8,16-17,21-23,25-26,28,33H,3,9-15,18H2,1-2H3,(H,29,34)/t22-,23?,25+,26?/m0/s1 YINGAUWXSHHKHN-ZKWAXQEBSA-N 29779 7,6,6 tricyclic sulfonamide, 19 Beta-secretase 1 Homo sapiens 550 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143279 85147545 ZINC43080602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54209 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C26H36N4O4S/c1-3-27-22-15-19(16-24-21(22)10-7-13-35(33,34)30(24)2)26(32)29-23(14-18-8-5-4-6-9-18)25(31)17-28-20-11-12-20/h4-6,8-9,15-16,20,23,25,27-28,31H,3,7,10-14,17H2,1-2H3,(H,29,32)/t23-,25+/m0/s1 HALKXQJKSWVOGT-UKILVPOCSA-N 29780 bicyclic sulfonamide analogue, 20 Beta-secretase 1 Homo sapiens 150 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143280 85147546 ZINC62233564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54210 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C31H36N4O5S/c1-4-23-19-35-20-41(38,39)34(2)28-16-24(15-26(23)30(28)35)31(37)33-27(14-21-9-6-5-7-10-21)29(36)18-32-17-22-11-8-12-25(13-22)40-3/h5-13,15-16,19,27,29,32,36H,4,14,17-18,20H2,1-3H3,(H,33,37)/t27-,29+/m0/s1 BIFXFADRRVXKMW-LMSSTIIKSA-N 29781 6,6,5 tricyclic sulfonamide, 21 Beta-secretase 1 Homo sapiens 8 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11467715 85147547 ZINC42921776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54211 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C32H38N4O5S/c1-4-24-21-36-13-14-42(39,40)35(2)29-18-25(17-27(24)31(29)36)32(38)34-28(16-22-9-6-5-7-10-22)30(37)20-33-19-23-11-8-12-26(15-23)41-3/h5-12,15,17-18,21,28,30,33,37H,4,13-14,16,19-20H2,1-3H3,(H,34,38)/t28-,30+/m0/s1 MNGUVHPNHVMEDL-MFMCTBQISA-N 29782 7,6,5 tricyclic sulfonamide, 22 Beta-secretase 1 Homo sapiens 2 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.150 10.7270/Q29885BR 19477642 aid1799033 Charrier, N; Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZY1 2WF1 9938431 85147548 ZINC38998652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993497 C[C@]1(C=CSC(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF2N3S/c1-18(6-7-25-17(22)24-18)13-8-11(2-4-14(13)20)9-15(21)16-5-3-12(19)10-23-16/h2-10H,1H3,(H2,22,24)/b15-9-/t18-/m0/s1 KDZXSSXGZIROJU-YHTSIIMFSA-N 477880 US10889579, Example 100 Beta-secretase 1 Homo sapiens 220 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126038 442137494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993500 C[C@]1(C=CSC(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F2N4S/c1-19(6-7-26-18(23)25-19)14-8-12(2-4-15(14)20)9-16(21)17-5-3-13(10-22)11-24-17/h2-9,11H,1H3,(H2,23,25)/b16-9-/t19-/m0/s1 WKOIVUXVVOAIDL-QHVUTBCBSA-N 477881 US10889579, Example 101 Beta-secretase 1 Homo sapiens 98.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126429 442137495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54284 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C29H38N4O5S/c1-3-33-19-21-11-14-39(36,37)32(2)25-16-22(17-26(33)28(21)25)29(35)31-24(15-20-7-5-4-6-8-20)27(34)18-30-23-9-12-38-13-10-23/h4-8,16-17,19,23-24,27,30,34H,3,9-15,18H2,1-2H3,(H,31,35)/t24-,27+/m0/s1 OSAYNAICIRJYGY-RPLLCQBOSA-N 29794 sulfonamide tricyclic analogue, 5 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11157167 85147560 ZINC42923523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54285 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C29H38N4O5S/c1-3-21-19-33-11-14-39(36,37)32(2)26-17-22(16-24(21)28(26)33)29(35)31-25(15-20-7-5-4-6-8-20)27(34)18-30-23-9-12-38-13-10-23/h4-8,16-17,19,23,25,27,30,34H,3,9-15,18H2,1-2H3,(H,31,35)/t25-,27+/m0/s1 FBCAWJXDTWUBGJ-AHKZPQOWSA-N 29775 7,6,5 tricyclic sulfonamide, 13::BMCL193674 Compound 6 Beta-secretase 1 Homo sapiens 15 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11786748 85147541 ZINC43120168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54286 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F InChI=1S/C27H33F3N4O4S/c1-3-34-17-19-9-12-39(37,38)33(2)22-14-20(15-23(34)25(19)22)26(36)32-21(13-18-7-5-4-6-8-18)24(35)16-31-11-10-27(28,29)30/h4-8,14-15,17,21,24,31,35H,3,9-13,16H2,1-2H3,(H,32,36)/t21-,24+/m0/s1 BFPPEQNMYUIWBA-XUZZJYLKSA-N 29796 sulfonamide tricyclic analogue, 7 Beta-secretase 1 Homo sapiens 4 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11192316 85147561 ZINC43073458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54287 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F InChI=1S/C27H33F3N4O4S/c1-3-19-17-34-11-12-39(37,38)33(2)23-15-20(14-21(19)25(23)34)26(36)32-22(13-18-7-5-4-6-8-18)24(35)16-31-10-9-27(28,29)30/h4-8,14-15,17,22,24,31,35H,3,9-13,16H2,1-2H3,(H,32,36)/t22-,24+/m0/s1 JBSIWTPPHNMPRR-LADGPHEKSA-N 29777 7,6,5 tricyclic sulfonamide, 15::BMCL193674 Compound 8 Beta-secretase 1 Homo sapiens 7 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143277 85147543 ZINC43123453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54288 CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)23(14-20-10-8-7-9-11-20)30-28(34)22-15-24-27-21(12-13-37(35,36)31(24)4)18-32(6-2)25(27)16-22/h7-11,15-16,18-19,23,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,23+,26-/m1/s1 YUZALEJJOXEEJU-FRPAHBMMSA-N 10145 lysine sulfonamide analogue 9::methyl N-[(1S)-1-{[(5R)-5-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-6-hydroxyhexyl]carbamoyl}-2-phenylethyl]-N-methylcarbamate::sulfonamide tricyclic analogue, 9 Beta-secretase 1 Homo sapiens 10 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342148 46510794 ZINC62233572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54289 CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)24(14-20-10-8-7-9-11-20)30-28(34)22-15-23-21(6-2)18-32-12-13-37(35,36)31(4)25(16-22)27(23)32/h7-11,15-16,18-19,24,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,24+,26-/m1/s1 WSZHJFHSCUWOJZ-YZXAJQSBSA-N 29799 sulfonamide tricyclic analogue, 10 Beta-secretase 1 Homo sapiens 22 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11329962 85147563 ZINC62233575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54290 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C InChI=1S/C27H32N4O4S/c1-4-12-28-17-25(32)22(14-19-9-7-6-8-10-19)29-27(33)21-15-23-26-20(11-13-36(34,35)30(23)3)18-31(5-2)24(26)16-21/h1,6-10,15-16,18,22,25,28,32H,5,11-14,17H2,2-3H3,(H,29,33)/t22-,25+/m0/s1 BQPQSYLPPXUPAF-WIOPSUGQSA-N 29800 sulfonamide tricyclic analogue, 11 Beta-secretase 1 Homo sapiens 11 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11295146 85147564 ZINC43018784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54291 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C InChI=1S/C27H32N4O4S/c1-4-11-28-17-25(32)23(14-19-9-7-6-8-10-19)29-27(33)21-15-22-20(5-2)18-31-12-13-36(34,35)30(3)24(16-21)26(22)31/h1,6-10,15-16,18,23,25,28,32H,5,11-14,17H2,2-3H3,(H,29,33)/t23-,25+/m0/s1 BOWMTWSMHYUISC-UKILVPOCSA-N 29801 sulfonamide tricyclic analogue, 12 Beta-secretase 1 Homo sapiens 73 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11168125 85147565 ZINC38324291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54292 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 InChI=1S/C26H34N4O4S/c1-4-27-16-24(31)21(13-18-9-7-6-8-10-18)28-26(32)20-14-22-25-19(11-12-35(33,34)29(22)3)17-30(5-2)23(25)15-20/h6-10,14-15,17,21,24,27,31H,4-5,11-13,16H2,1-3H3,(H,28,32)/t21-,24+/m0/s1 OTTLWNIOFJDSBI-XUZZJYLKSA-N 29802 sulfonamide tricyclic analogue, 13 Beta-secretase 1 Homo sapiens 23 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11478322 85147566 ZINC34581927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54293 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 InChI=1S/C26H34N4O4S/c1-4-19-17-30-11-12-35(33,34)29(3)23-15-20(14-21(19)25(23)30)26(32)28-22(24(31)16-27-5-2)13-18-9-7-6-8-10-18/h6-10,14-15,17,22,24,27,31H,4-5,11-13,16H2,1-3H3,(H,28,32)/t22-,24+/m0/s1 MBEIKKKHBAEUDD-LADGPHEKSA-N 29803 sulfonamide tricyclic analogue, 14 Beta-secretase 1 Homo sapiens 48 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11295726 85147567 ZINC42923511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54294 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H34N4O4S/c1-3-31-17-19-11-12-36(34,35)30(2)23-14-20(15-24(31)26(19)23)27(33)29-22(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21-22,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t22-,25+/m0/s1 NWYPYVAFLQQNQH-WIOPSUGQSA-N 29804 sulfonamide tricyclic analogue, 15 Beta-secretase 1 Homo sapiens 9 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11238286 85147568 ZINC43014529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54295 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1 STVPNNWNBWFITL-UKILVPOCSA-N 26510 BMCL193669 Compound 18::N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8e Beta-secretase 1 Homo sapiens 20 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11444313 56464947 ZINC40429666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54296 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H35F3N4O4S/c1-3-23-20-39-12-13-44(42,43)38(2)28-17-24(16-26(23)30(28)39)31(41)37-27(15-21-8-5-4-6-9-21)29(40)19-36-18-22-10-7-11-25(14-22)32(33,34)35/h4-11,14,16-17,20,27,29,36,40H,3,12-13,15,18-19H2,1-2H3,(H,37,41)/t27-,29+/m0/s1 MSHYGGHZTGSTOG-LMSSTIIKSA-N 26503 3-ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::BMCL193669 Compound 9::tricyclic hydroxyethylamine (HEA) derivative, 8a Beta-secretase 1 Homo sapiens 2 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CM7 2VNN 11296859 56464940 ZINC16052623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54297 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H32F3N3O5S/c1-2-22-19-37-11-12-43(40,41)42-28-16-23(15-25(22)29(28)37)30(39)36-26(14-20-7-4-3-5-8-20)27(38)18-35-17-21-9-6-10-24(13-21)31(32,33)34/h3-10,13,15-16,19,26-27,35,38H,2,11-12,14,17-18H2,1H3,(H,36,39)/t26-,27+/m0/s1 FYARDFZESROLIJ-RRPNLBNLSA-N 29805 sulfone tricyclic analogue, 18 Beta-secretase 1 Homo sapiens 8 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143283 85147569 ZINC42920544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54298 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 InChI=1S/C28H35N3O6S/c1-2-20-18-31-10-13-38(34,35)37-26-16-21(15-23(20)27(26)31)28(33)30-24(14-19-6-4-3-5-7-19)25(32)17-29-22-8-11-36-12-9-22/h3-7,15-16,18,22,24-25,29,32H,2,8-14,17H2,1H3,(H,30,33)/t24-,25+/m0/s1 JYGITBJTSAPDMP-LOSJGSFVSA-N 29806 sulfone tricyclic analogue, 19 Beta-secretase 1 Homo sapiens 86 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143284 85147570 ZINC70622142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54299 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C InChI=1S/C26H29N3O5S/c1-3-10-27-16-23(30)22(13-18-8-6-5-7-9-18)28-26(31)20-14-21-19(4-2)17-29-11-12-35(32,33)34-24(15-20)25(21)29/h1,5-9,14-15,17,22-23,27,30H,4,10-13,16H2,2H3,(H,28,31)/t22-,23+/m0/s1 PLZZTYZARDIULX-XZOQPEGZSA-N 29807 sulfone tricyclic analogue, 20 Beta-secretase 1 Homo sapiens 360 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143285 85147571 ZINC43017833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54300 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C26H31N3O5S/c1-2-18-16-29-10-11-35(32,33)34-24-14-19(13-21(18)25(24)29)26(31)28-22(12-17-6-4-3-5-7-17)23(30)15-27-20-8-9-20/h3-7,13-14,16,20,22-23,27,30H,2,8-12,15H2,1H3,(H,28,31)/t22-,23+/m0/s1 GLABHUZSEHKTBW-XZOQPEGZSA-N 29808 sulfone tricyclic analogue, 21 Beta-secretase 1 Homo sapiens 250 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143286 85147572 ZINC43020111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54301 CCCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 InChI=1S/C27H36N4O4S/c1-4-12-28-17-25(32)22(14-19-9-7-6-8-10-19)29-27(33)21-15-23-26-20(11-13-36(34,35)30(23)3)18-31(5-2)24(26)16-21/h6-10,15-16,18,22,25,28,32H,4-5,11-14,17H2,1-3H3,(H,29,33)/t22-,25+/m0/s1 QKUYWGQZOKYCIF-WIOPSUGQSA-N 29809 sulfonamide tricyclic analogue, 22 Beta-secretase 1 Homo sapiens 8 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11443660 85147573 ZINC43062567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54302 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF InChI=1S/C26H33FN4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)23-15-20(14-21(19)25(23)31)26(33)29-22(24(32)16-28-10-9-27)13-18-7-5-4-6-8-18/h4-8,14-15,17,22,24,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t22-,24+/m0/s1 KDQRIUPZQXCNKH-LADGPHEKSA-N 29810 sulfonamide tricyclic analogue, 23 Beta-secretase 1 Homo sapiens 50 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11284421 85147574 ZINC43020517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54303 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF InChI=1S/C26H33FN4O4S/c1-3-31-17-19-9-12-36(34,35)30(2)22-14-20(15-23(31)25(19)22)26(33)29-21(24(32)16-28-11-10-27)13-18-7-5-4-6-8-18/h4-8,14-15,17,21,24,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t21-,24+/m0/s1 MRGNUQIOLFDABG-XUZZJYLKSA-N 29811 sulfonamide tricyclic analogue, 24 Beta-secretase 1 Homo sapiens 40 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11238352 85147575 ZINC43123053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54304 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)F InChI=1S/C26H32F2N4O4S/c1-3-32-16-18-9-10-37(35,36)31(2)21-12-19(13-22(32)25(18)21)26(34)30-20(11-17-7-5-4-6-8-17)23(33)14-29-15-24(27)28/h4-8,12-13,16,20,23-24,29,33H,3,9-11,14-15H2,1-2H3,(H,30,34)/t20-,23+/m0/s1 XQBSYJKOKFDCEX-NZQKXSOJSA-N 29812 sulfonamide tricyclic analogue, 25 Beta-secretase 1 Homo sapiens 20 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11318606 85147576 ZINC42988922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54305 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)C(F)(F)F InChI=1S/C27H31F5N4O4S/c1-3-36-15-18-9-10-41(39,40)35(2)21-12-19(13-22(36)24(18)21)25(38)34-20(11-17-7-5-4-6-8-17)23(37)14-33-16-26(28,29)27(30,31)32/h4-8,12-13,15,20,23,33,37H,3,9-11,14,16H2,1-2H3,(H,34,38)/t20-,23+/m0/s1 JRVZLAIIMIAJLW-NZQKXSOJSA-N 29813 sulfonamide tricyclic analogue, 26 Beta-secretase 1 Homo sapiens 32 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11354252 85147577 ZINC43062570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54306 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F InChI=1S/C26H31F3N4O4S/c1-3-33-15-18-9-10-38(36,37)32(2)21-12-19(13-22(33)24(18)21)25(35)31-20(11-17-7-5-4-6-8-17)23(34)14-30-16-26(27,28)29/h4-8,12-13,15,20,23,30,34H,3,9-11,14,16H2,1-2H3,(H,31,35)/t20-,23+/m0/s1 RSFSVTXVNZOHJN-NZQKXSOJSA-N 29814 sulfonamide tricyclic analogue, 27 Beta-secretase 1 Homo sapiens 79 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11180403 85147578 ZINC43122183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 54307 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1 InChI=1S/C30H34N4O4S/c1-3-34-20-22-14-15-39(37,38)33(2)26-17-23(18-27(34)29(22)26)30(36)32-25(16-21-10-6-4-7-11-21)28(35)19-31-24-12-8-5-9-13-24/h4-13,17-18,20,25,28,31,35H,3,14-16,19H2,1-2H3,(H,32,36)/t25-,28+/m0/s1 VVGUAFLWFRBLLM-LBNVMWSVSA-N 29815 sulfonamide tricyclic analogue, 28 Beta-secretase 1 Homo sapiens 5 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.03.149 10.7270/Q25H7DKK 19406640 aid1799036 Charrier, N; Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hubbard, J; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GSK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11753622 85147579 ZINC43122968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 178047 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 InChI=1S/C18H17ClF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 NQNLROFWOGGJGK-SFHVURJKSA-N 18751 US8846658, 92::US8846658, 93 Beta-secretase 1 Homo sapiens 8 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913216 249493546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 178056 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H16ClF3N4O2/c1-9-4-10(19)6-24-15(9)16(27)25-11-2-3-13(20)12(5-11)18(17(21)22)8-28-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 RFBSKPMTVVJHML-SFHVURJKSA-N 19476 US8846658, 115::US8846658, 44 Beta-secretase 1 Homo sapiens 6 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=19476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=19476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1AVD,1BDO,1BIB,1DF8,1F27,1HXD,1KQS,1LUQ,1MEP,1MK5,1N43,1N9M,1NDJ,1NQM,1STP,1SWD,1SWE,1SWG,1SWK,1SWN,1SWP,1SWR,1SWT,1WBI,1WPY,1XNY,1Y52,1Y55,2AVI,2B8G,2BDO,2C1Q,2C4I,2DTH,2DTO,2DXT,2E3Y,2F01,2FYK,2GH7,2IZF,2IZG,2IZH,2IZI,2IZJ,2RTD,2RTE,2RTF,2RTG 50914548 249493547 ZINC58161345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 178069 Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H16BrF3N4O2/c1-9-4-10(19)6-24-15(9)16(27)25-11-2-3-13(20)12(5-11)18(17(21)22)8-28-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 NSHIOKOUABVPPT-SFHVURJKSA-N 22021 US8846658, 116::US8846658, 45 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914549 249493548 ZINC58161345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 178070 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C19H16F3N5O2/c1-10-4-11(6-23)7-25-16(10)17(28)26-12-2-3-14(20)13(5-12)19(18(21)22)9-29-8-15(24)27-19/h2-5,7,18H,8-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 DHIZXRDJXNCTKQ-IBGZPJMESA-N 23140 US8846658, 144::US8846658, 147 Beta-secretase 1 Homo sapiens 79 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118873 249493549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187181 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23) FSIYTVBWWROBPT-UHFFFAOYSA-N 38220 US8546380, 1100::US8633188, 1100 Beta-secretase 1 Homo sapiens 37 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SKW 7B1E 57628098 249738315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187182 NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C16H15ClN4OS/c17-11-4-5-14(19-9-11)15(22)20-12-3-1-2-10(8-12)13-6-7-23-16(18)21-13/h1-5,8-9,13H,6-7H2,(H2,18,21)(H,20,22) BDACCOISZGTICY-UHFFFAOYSA-N 38221 US8546380, 740::US8633188, 740 Beta-secretase 1 Homo sapiens 505 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627088 249738316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187183 Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C18H20BrN3O2S/c1-10-6-11(2)24-15(10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23) YBFOOYGOQXCPKH-UHFFFAOYSA-N 38222 US8546380, 436::US8633188, 436 Beta-secretase 1 Homo sapiens 160 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91664030 249738317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187184 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24) VVZZZUNCWSTIOI-UHFFFAOYSA-N 38224 US8546380, 1043::US8633188, 1043 Beta-secretase 1 Homo sapiens 27 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 16058767 249738318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187185 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C17H16Cl2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24) NRRWRNWYWPFBKV-UHFFFAOYSA-N 38226 US8546380, 1199::US8633188, 1199 Beta-secretase 1 Homo sapiens 32 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627243 249738319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187186 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(N)=O)c1 InChI=1S/C18H19N5O2S/c1-18(7-8-26-17(20)23-18)12-3-2-4-13(9-12)22-16(25)14-6-5-11(10-21-14)15(19)24/h2-6,9-10H,7-8H2,1H3,(H2,19,24)(H2,20,23)(H,22,25) DIQKWLYXJBCWSP-UHFFFAOYSA-N 38228 US8546380, 73::US8633188, 73 Beta-secretase 1 Homo sapiens 435 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627528 249738320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187187 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C17H16Cl2N4OS/c1-17(5-6-25-16(20)23-17)10-3-2-4-12(7-10)22-15(24)14-13(19)8-11(18)9-21-14/h2-4,7-9H,5-6H2,1H3,(H2,20,23)(H,22,24) AYXQTOHSSLPRLR-UHFFFAOYSA-N 38229 US8546380, 127::US8633188, 127 Beta-secretase 1 Homo sapiens 54 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627447 249738321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187188 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C17H19N5OS/c1-11-9-20-14(10-19-11)15(23)21-13-5-3-4-12(8-13)17(2)6-7-24-16(18)22-17/h3-5,8-10H,6-7H2,1-2H3,(H2,18,22)(H,21,23) LERXARHEQLVFRC-UHFFFAOYSA-N 38230 US8546380, 309::US8633188, 309 Beta-secretase 1 Homo sapiens 833 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627000 249738322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187189 CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H23ClN4O2S/c1-12(2)27-16-9-13(20(3)6-7-28-19(22)25-20)8-15(10-16)24-18(26)17-5-4-14(21)11-23-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,25)(H,24,26) WAKBRVWIQUWQRJ-UHFFFAOYSA-N 38231 US8546380, 1135::US8633188, 1135 Beta-secretase 1 Homo sapiens 2296 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627943 249738323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187190 COc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C18H19ClN4O2S/c1-18(5-6-26-17(20)23-18)11-7-13(9-14(8-11)25-2)22-16(24)15-4-3-12(19)10-21-15/h3-4,7-10H,5-6H2,1-2H3,(H2,20,23)(H,22,24) CGAWUBIEAFQSLM-UHFFFAOYSA-N 38232 US8546380, 1035::US8633188, 1035 Beta-secretase 1 Homo sapiens 174 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626952 249738324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187150 CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3 ILIUOAJYRLUFQV-UHFFFAOYSA-N 34542 US8546380, 220::US8633188, 220 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627669 249738294 ZINC00246567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187156 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cc3ccccc3s2)c1 InChI=1S/C19H22N4O2/c1-12(2)9-19(24)20-16-11-18-17(10-13(16)3)21-23(22-18)14-5-7-15(25-4)8-6-14/h5-8,10-12H,9H2,1-4H3,(H,20,24) SZPGBISEGCWQJW-UHFFFAOYSA-N 34549 US8546380, 1014::US8633188, 1014 Beta-secretase 1 Homo sapiens 165 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627393 249738296 ZINC00316758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187157 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C(F)(F)F InChI=1S/C13H10FN3S/c14-10-5-2-1-4-9(10)8-18-13-16-11-6-3-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17) ORJUZLVUOWEXML-UHFFFAOYSA-N 34551 US8546380, 964::US8633188, 964 Beta-secretase 1 Homo sapiens 264 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627012 249738297 ZINC13113601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187158 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H19NO3/c1-4-21-15-7-5-6-13(17(15)20)10-18-14-9-11(2)8-12(3)16(14)19/h5-10,18-19H,4H2,1-3H3/b13-10+ MWCUTYXJACUZHF-JLHYYAGUSA-N 34552 US8546380, 793::US8633188, 793 Beta-secretase 1 Homo sapiens 61 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626946 249738298 ZINC13130797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187159 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 InChI=1S/C15H21N3OS/c1-12(19)17-8-10-18(11-9-17)15(20)13-4-6-14(7-5-13)16(2)3/h4-7H,8-11H2,1-3H3 SSDHMSVCFZRGKM-UHFFFAOYSA-N 34553 US8546380, 625::US8633188, 625 Beta-secretase 1 Homo sapiens 1288 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627467 249738299 ZINC04190064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187160 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 InChI=1S/C10H7N3OS3/c15-9-13-12-8(14-9)5-16-10-11-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15) JQUJYSYDBLQZJE-UHFFFAOYSA-N 34558 US8546380, 498::US8633188, 498 Beta-secretase 1 Homo sapiens 930 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626916 249738300 ZINC02481150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187161 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C16H17NO/c1-2-18-16-9-7-15(8-10-16)17-11-13-5-3-4-6-14(13)12-17/h3-10H,2,11-12H2,1H3 ZEASNDNRJFOYFA-UHFFFAOYSA-N 34559 US8546380, 26::US8633188, 26 Beta-secretase 1 Homo sapiens 1977 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627546 249738301 ZINC00439486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187162 COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H14N4OS/c1-25-13-8-6-12(7-9-13)18-14(10-21)19(23)24-16-4-2-3-5-17(16)26-20(24)15(18)11-22/h2-9,18H,23H2,1H3 SAGWJOHJTFYXJF-UHFFFAOYSA-N 34560 US8546380, 465::US8633188, 465 Beta-secretase 1 Homo sapiens 3239 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627935 249738302 ZINC00850184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187163 COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H22BrN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25) QJDYGDJENJQNNN-UHFFFAOYSA-N 35082 US8546380, 1197::US8633188, 1197 Beta-secretase 1 Homo sapiens 912 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627155 249738303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187164 COCc1cc(NC(=O)c2ccc(Cl)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H22ClN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25) FJGZWNVLLFJOIE-UHFFFAOYSA-N 35086 US8546380, 395::US8633188, 395 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35086&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627587 249738304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187165 COCc1cc(NC(=O)c2ccc(F)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H22FN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25) KCEVQICKCKDJAP-UHFFFAOYSA-N 35281 US8546380, 896::US8633188, 896 Beta-secretase 1 Homo sapiens 8497 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627645 249738305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187166 COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C21H22F3N3O2S/c1-20(7-8-30-19(25)27-20)16-9-13(12-29-2)10-17(11-16)26-18(28)14-3-5-15(6-4-14)21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28) LEPVPSRMWGBCJT-UHFFFAOYSA-N 35282 US8546380, 660::US8633188, 660 Beta-secretase 1 Homo sapiens 4586 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627328 249738306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187167 COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C21H22F3N3O3S/c1-20(7-8-31-19(25)27-20)15-9-13(12-29-2)10-16(11-15)26-18(28)14-3-5-17(6-4-14)30-21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28) CWSPCNJAYNLGIT-UHFFFAOYSA-N 35652 US8546380, 664::US8633188, 664 Beta-secretase 1 Homo sapiens 3642 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628054 249738307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187168 COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C28H28N2O7/c1-35-24-14-12-22(13-15-24)27(33)36-19-23(31)17-29-26(32)25(16-20-8-4-2-5-9-20)30-28(34)37-18-21-10-6-3-7-11-21/h2-15,25H,16-19H2,1H3,(H,29,32)(H,30,34) CLDOAGSYVOYMSM-UHFFFAOYSA-N 36326 US8546380, 176::US8633188, 176 Beta-secretase 1 Homo sapiens 1479 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628137 172097659 ZINC62260280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187169 COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23) LVOBTCONHRNJJA-UHFFFAOYSA-N 36405 US8546380, 284::US8633188, 284 Beta-secretase 1 Homo sapiens 229 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627308 117643991 ZINC08581989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187170 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2nc3ccccc3s2)c1 InChI=1S/C14H14BrN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18) ZLMVXCGWUJXFNP-UHFFFAOYSA-N 36406 US8546380, 912::US8633188, 912 Beta-secretase 1 Homo sapiens 175 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627278 117643992 ZINC08581906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187171 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(F)cn2)c1 InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21) GEZALMMCQYDFML-UHFFFAOYSA-N 36407 US8546380, 212::US8633188, 212 Beta-secretase 1 Homo sapiens 220 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KS5 3EN6 57627305 117643993 ZINC20148983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187172 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccco2)cc(c1)C(F)(F)F InChI=1S/C21H18Cl3F3N4O/c1-20(2,3)16-10-17(29-19(32)28-13-6-4-12(22)5-7-13)31(30-16)18-14(23)8-11(9-15(18)24)21(25,26)27/h4-10H,1-3H3,(H2,28,29,32) XZLKYCWHZQUSFJ-UHFFFAOYSA-N 36451 US8546380, 163::US8633188, 163 Beta-secretase 1 Homo sapiens 2278 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627690 117644037 ZINC45320430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187173 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26) LIIKCMUGEUYUSJ-UHFFFAOYSA-N 36793 US8546380, 1244::US8546380, 1312 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59374760 118043360 ZINC70719291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187175 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cc2)c1 InChI=1S/C18H17BrClN3OS/c1-18(6-7-25-17(21)23-18)12-8-14(20)10-15(9-12)22-16(24)11-2-4-13(19)5-3-11/h2-5,8-10H,6-7H2,1H3,(H2,21,23)(H,22,24) RRGAZBYPOBROOI-UHFFFAOYSA-N 38211 US8546380, 698::US8633188, 698 Beta-secretase 1 Homo sapiens 165 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628077 249738309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187176 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2nc3ccccc3s2)c1 InChI=1S/C19H17ClN4OS2/c1-19(6-7-26-18(21)24-19)11-8-12(20)10-13(9-11)22-16(25)17-23-14-4-2-3-5-15(14)27-17/h2-5,8-10H,6-7H2,1H3,(H2,21,24)(H,22,25) ZVUVZWBZCHXFFC-UHFFFAOYSA-N 38213 US8546380, 96::US8633188, 96 Beta-secretase 1 Homo sapiens 163 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628078 249738310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187177 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccco2)c1 InChI=1S/C16H16ClN3O2S/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21) LGCFSOXQSVXNQA-UHFFFAOYSA-N 38215 US8546380, 822::US8633188, 822 Beta-secretase 1 Homo sapiens 243 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628101 249738311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187178 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H16Cl2N4OS/c1-17(4-5-25-16(20)23-17)10-6-12(19)8-13(7-10)22-15(24)14-3-2-11(18)9-21-14/h2-3,6-9H,4-5H2,1H3,(H2,20,23)(H,22,24) ISFYHTGWOJKTMA-UHFFFAOYSA-N 38216 US8546380, 739::US8633188, 739 Beta-secretase 1 Homo sapiens 49 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627527 249738312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187179 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2cc3ccccc3s2)c1 InChI=1S/C20H18ClN3OS2/c1-20(6-7-26-19(22)24-20)13-9-14(21)11-15(10-13)23-18(25)17-8-12-4-2-3-5-16(12)27-17/h2-5,8-11H,6-7H2,1H3,(H2,22,24)(H,23,25) KDLYSZWBMLLFGW-UHFFFAOYSA-N 38218 US8546380, 832::US8633188, 832 Beta-secretase 1 Homo sapiens 222 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628025 249738313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 187180 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(c1)C(F)(F)F InChI=1S/C19H16F6N4OS/c1-17(4-5-31-16(26)29-17)11-6-12(19(23,24)25)8-13(7-11)28-15(30)14-3-2-10(9-27-14)18(20,21)22/h2-3,6-9H,4-5H2,1H3,(H2,26,29)(H,28,30) PBHKXIPITVBACJ-UHFFFAOYSA-N 103410 US8546380, 897::US8633188, 897 Beta-secretase 1 Homo sapiens 816 US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627255 172098701 ZINC96174348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191663 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31) JBVZPXHGLQAXRZ-UHFFFAOYSA-N 41536 US8865706, 15 Beta-secretase 1 Homo sapiens 39.8 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SI5 4XRY,4XXS 72547320 249815361 ZINC08782552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191664 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C18H18N4O2/c1-12-4-2-3-5-14(12)10-22-11-15(9-19-22)20-18(23)16-8-17(24-21-16)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,20,23) DGQYKGPPZKJJDN-UHFFFAOYSA-N 41537 US10231967, Example 114::US8865911, 114::US9918985, Example 114 Beta-secretase 1 Homo sapiens 1.2 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 249815362 ZINC03908784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191665 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 InChI=1S/C17H15FN4O2/c18-13-5-1-11(2-6-13)9-22-10-14(8-19-22)20-17(23)15-7-16(24-21-15)12-3-4-12/h1-2,5-8,10,12H,3-4,9H2,(H,20,23) QFNHROBQMOCFOF-UHFFFAOYSA-N 41538 US8865911, 117 Beta-secretase 1 Homo sapiens 163 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979630 249815363 ZINC02465719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191666 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C22H20N4O3/c1-15-7-3-4-8-16(15)13-26-14-17(12-23-26)24-22(27)19-11-21(29-25-19)18-9-5-6-10-20(18)28-2/h3-12,14H,13H2,1-2H3,(H,24,27) YLYLCNVYPMZXKN-UHFFFAOYSA-N 41540 US10231967, Example 76-Isomer-2::US8865911, 118 Beta-secretase 1 Homo sapiens 23 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91667609 249815364 ZINC04880871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191667 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 InChI=1S/C19H16N4O3/c1-13-5-2-3-6-14(13)11-23-12-15(10-20-23)21-19(24)16-9-18(26-22-16)17-7-4-8-25-17/h2-10,12H,11H2,1H3,(H,21,24) DDIAPZNZXPLMGL-UHFFFAOYSA-N 41541 US8865911, 119 Beta-secretase 1 Homo sapiens 23 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979364 249815365 ZINC03908444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191668 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C17H17FN4O2/c1-2-3-15-8-16(21-24-15)17(23)20-14-9-19-22(11-14)10-12-4-6-13(18)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,20,23) MJBZMUZAEXQVAB-UHFFFAOYSA-N 41542 US8865911, 122 Beta-secretase 1 Homo sapiens 25 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 249815366 ZINC03909028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 191669 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C19H20N4O2/c1-13-6-2-3-7-14(13)11-23-12-15(10-20-23)21-19(24)18-16-8-4-5-9-17(16)25-22-18/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,21,24) HCFHQXFPEBHPGZ-UHFFFAOYSA-N 41543 US8865911, 125 Beta-secretase 1 Homo sapiens 20 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979516 249815367 ZINC00426537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 198685 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2O)cc1 InChI=1S/C19H16O5/c20-15-6-1-13(2-7-15)3-8-16(21)11-17(22)9-4-14-5-10-18(23)12-19(14)24/h1-10,12,20,23-24H,11H2/b8-3+,9-4+ NZDWIYBIPNRXTM-BQYBEJQRSA-N 47175 US8962674, CU319 Beta-secretase 1 Homo sapiens 1700 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550263 313362577 C18089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 198686 COCOc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C21H20O6/c1-26-14-27-21-13-20(25)11-6-16(21)5-10-19(24)12-18(23)9-4-15-2-7-17(22)8-3-15/h2-11,13,22,25H,12,14H2,1H3/b9-4+,10-5+ QHRPQGHKWUEZKD-LUZURFALSA-N 47176 US8962674, CU319 Beta-secretase 1 Homo sapiens 1700 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91824848 252148185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 198855 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 4.88 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801222 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 198904 COc1ccc(cc1)-c1nc(SCC(=O)Nc2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C23H17N5O3S2/c1-31-16-9-7-15(8-10-16)20-17(11-24)21(30)28-23(27-20)33-13-19(29)26-22-25-18(12-32-22)14-5-3-2-4-6-14/h2-10,12H,13H2,1H3,(H,25,26,29)(H,27,28,30) JPKLHRNQSFLZDZ-UHFFFAOYSA-N 91654 B51 Beta-secretase 1 Homo sapiens 4760 Curated from the literature by BindingDB 10.1111/j.1747-0285.2012.01367.x 10.7270/Q25719MR 22381116 aid1799726 Niu, Y; Ma, C; Jin, H; Xu, F; Gao, H; Liu, P; Li, Y; Wang, C; Yang, G; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=91654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=91654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57340899 136353196 ZINC59456785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 198905 Oc1c(cnc2cc(ccc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NCc1ccc2OCOc2c1 InChI=1S/C25H18F3N3O6S/c26-25(27,28)15-2-1-3-16(9-15)31-38(34,35)17-5-6-18-20(10-17)29-12-19(23(18)32)24(33)30-11-14-4-7-21-22(8-14)37-13-36-21/h1-10,12,31H,11,13H2,(H,29,32)(H,30,33) FSMUNBBJYBVODL-UHFFFAOYSA-N 91655 B53 Beta-secretase 1 Homo sapiens 310 Curated from the literature by BindingDB 10.1111/j.1747-0285.2012.01367.x 10.7270/Q25719MR 22381116 aid1799726 Niu, Y; Ma, C; Jin, H; Xu, F; Gao, H; Liu, P; Li, Y; Wang, C; Yang, G; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=91655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=91655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57340900 136353197 ZINC89469034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200963 CCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C#N InChI=1S/C22H18FNO2/c1-2-10-25-19-7-5-6-17(13-19)18-11-16(15-24)12-20(14-18)26-22-9-4-3-8-21(22)23/h3-9,11-14H,2,10H2,1H3 AOVHTQDQGHGIRN-UHFFFAOYSA-N 92617 Benzonitrile, 5c Beta-secretase 1 Homo sapiens 8.035e+4 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702038 160845110 ZINC87613155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200965 CCCOc1cccc(c1)-c1cc(Oc2ccccc2)cc(c1)C(N)=N InChI=1S/C22H22N2O2/c1-2-11-25-20-10-6-7-16(13-20)17-12-18(22(23)24)15-21(14-17)26-19-8-4-3-5-9-19/h3-10,12-15H,2,11H2,1H3,(H3,23,24) UUVLJQOIAWMHOF-UHFFFAOYSA-N 92619 Benzimidamide, 6a Beta-secretase 1 Homo sapiens 8.02e+3 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702040 160845112 ZINC87613156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200966 CCCCOc1cccc(c1)-c1cc(Oc2ccccc2)cc(c1)C(N)=N InChI=1S/C23H24N2O2/c1-2-3-12-26-21-11-7-8-17(14-21)18-13-19(23(24)25)16-22(15-18)27-20-9-5-4-6-10-20/h4-11,13-16H,2-3,12H2,1H3,(H3,24,25) ILNLXEHLDZXTBQ-UHFFFAOYSA-N 92620 Benzimidamide, 6b Beta-secretase 1 Homo sapiens 7.03e+3 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702041 160845113 ZINC89469752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200967 CCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C(N)=N InChI=1S/C22H21FN2O2/c1-2-10-26-18-7-5-6-15(12-18)16-11-17(22(24)25)14-19(13-16)27-21-9-4-3-8-20(21)23/h3-9,11-14H,2,10H2,1H3,(H3,24,25) VHISSPKJDAMYAN-UHFFFAOYSA-N 92621 Benzimidamide, 6c Beta-secretase 1 Homo sapiens 4.36e+3 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702042 160845114 ZINC87613157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200968 CCCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C(N)=N InChI=1S/C23H23FN2O2/c1-2-3-11-27-19-8-6-7-16(13-19)17-12-18(23(25)26)15-20(14-17)28-22-10-5-4-9-21(22)24/h4-10,12-15H,2-3,11H2,1H3,(H3,25,26) CEMGJEVJJNONNE-UHFFFAOYSA-N 92622 Benzimidamide, 6d Beta-secretase 1 Homo sapiens 3.35e+3 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702043 160845115 ZINC89469755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200969 Oc1cccc(c1)-c1cc(cc(c1)-c1cccc(O)c1)C#C InChI=1S/C20H14O2/c1-2-14-9-17(15-5-3-7-19(21)12-15)11-18(10-14)16-6-4-8-20(22)13-16/h1,3-13,21-22H KSPMTJVHIADUCX-UHFFFAOYSA-N 92623 Benzonitrile, 8b Beta-secretase 1 Homo sapiens 9.76e+3 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702044 160845116 ZINC87613158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 200964 CCCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C#N InChI=1S/C23H20FNO2/c1-2-3-11-26-20-8-6-7-18(14-20)19-12-17(16-25)13-21(15-19)27-23-10-5-4-9-22(23)24/h4-10,12-15H,2-3,11H2,1H3 UAKATWPAMPUAOK-UHFFFAOYSA-N 92618 Benzonitrile, 5d Beta-secretase 1 Homo sapiens 9.35e+3 Curated from the literature by BindingDB 10.1111/cbdd.12016 10.7270/Q2G73C93 22882897 aid1799812 Niu, Y; Gao, H; Xu, F; Wang, C; Liu, P; Yang, G; Sun, Q; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70702039 160845111 ZINC89469747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202197 CC(C)CC1NC(=O)C(SCc2cccc(c2)C(F)(F)F)C1=O InChI=1S/C16H18F3NO2S/c1-9(2)6-12-13(21)14(15(22)20-12)23-8-10-4-3-5-11(7-10)16(17,18)19/h3-5,7,9,12,14H,6,8H2,1-2H3,(H,20,22) ZENJFANEXNMOLV-UHFFFAOYSA-N 93267 Tetramic acid, 25 Beta-secretase 1 Homo sapiens 1.94e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899477 164034511 ZINC35942027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202198 CC(C)CC1NC(=O)C(SCC(=O)NCc2ccc3OCOc3c2)C1=O InChI=1S/C18H22N2O5S/c1-10(2)5-12-16(22)17(18(23)20-12)26-8-15(21)19-7-11-3-4-13-14(6-11)25-9-24-13/h3-4,6,10,12,17H,5,7-9H2,1-2H3,(H,19,21)(H,20,23) ZHSPCCXUXWWHIP-UHFFFAOYSA-N 93268 Tetramic acid, 30 Beta-secretase 1 Homo sapiens 2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899478 164034512 ZINC38279310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202199 CCC(C)C1NC(=O)C(SCc2cccc(c2)C(F)(F)F)C1=O InChI=1S/C16H18F3NO2S/c1-3-9(2)12-13(21)14(15(22)20-12)23-8-10-5-4-6-11(7-10)16(17,18)19/h4-7,9,12,14H,3,8H2,1-2H3,(H,20,22) QGHRPTIBZHSFKL-UHFFFAOYSA-N 50261631 3-(3-(trifluoromethyl)benzylthio)-5-sec-butyl-4-hydroxy-1H-pyrrol-2(5H)-one::CHEMBL468168::Tetramic acid, 38 Beta-secretase 1 Homo sapiens 6.0e+4 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91935399 104110583 CHEMBL468168 ZINC38238014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202200 CCC(C)C1NC(=O)C(SCc2ccco2)C1=O InChI=1S/C13H17NO3S/c1-3-8(2)10-11(15)12(13(16)14-10)18-7-9-5-4-6-17-9/h4-6,8,10,12H,3,7H2,1-2H3,(H,14,16) MQNWUFYXWMVYJA-UHFFFAOYSA-N 93269 Tetramic acid, 43 Beta-secretase 1 Homo sapiens 2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899479 164034513 ZINC38219221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202201 CCC(C)C1NC(=O)C(SCC(=O)NCc2ccc3OCOc3c2)C1=O InChI=1S/C18H22N2O5S/c1-3-10(2)15-16(22)17(18(23)20-15)26-8-14(21)19-7-11-4-5-12-13(6-11)25-9-24-12/h4-6,10,15,17H,3,7-9H2,1-2H3,(H,19,21)(H,20,23) UOKYUMQCJCVNKC-UHFFFAOYSA-N 93270 Tetramic acid, 44 Beta-secretase 1 Homo sapiens >2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899480 164034514 ZINC38267685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202202 O=C1NC(Cc2ccccc2)C(=O)C1SCc1ccco1 InChI=1S/C16H15NO3S/c18-14-13(9-11-5-2-1-3-6-11)17-16(19)15(14)21-10-12-7-4-8-20-12/h1-8,13,15H,9-10H2,(H,17,19) SQCHLYQFUCFPLQ-UHFFFAOYSA-N 93271 Tetramic acid, 56 Beta-secretase 1 Homo sapiens 1.45e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899481 164034515 ZINC35995009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202203 O=C1OC(C(=O)C1Sc1ccccc1)c1ccccc1 InChI=1S/C16H12O3S/c17-13-14(11-7-3-1-4-8-11)19-16(18)15(13)20-12-9-5-2-6-10-12/h1-10,14-15H ULOBAHSSOWMIEZ-UHFFFAOYSA-N 93272 Tetramic acid, 72 Beta-secretase 1 Homo sapiens 1.05e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899482 164034516 ZINC96142697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202204 O=C1OC(C(=O)C1SCCc1ccccc1)c1ccccc1 InChI=1S/C18H16O3S/c19-15-16(14-9-5-2-6-10-14)21-18(20)17(15)22-12-11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2 DQNNIILEBIUGOO-UHFFFAOYSA-N 93273 Tetramic acid, 74 Beta-secretase 1 Homo sapiens >2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899483 164034517 ZINC96142698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202205 O=C1OC(CCc2ccccc2)C(=O)C1Sc1ccccc1 InChI=1S/C18H16O3S/c19-16-15(12-11-13-7-3-1-4-8-13)21-18(20)17(16)22-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2 SKARSWILZIHORV-UHFFFAOYSA-N 93274 Tetramic acid, 76 Beta-secretase 1 Homo sapiens >2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899484 164034518 ZINC96142699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202206 FC(F)(F)c1cccc(CSC2C(=O)OC(CCc3ccccc3)C2=O)c1 InChI=1S/C20H17F3O3S/c21-20(22,23)15-8-4-7-14(11-15)12-27-18-17(24)16(26-19(18)25)10-9-13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12H2 LHGGVYPISQCFNW-UHFFFAOYSA-N 93275 Tetramic acid, 77 Beta-secretase 1 Homo sapiens >2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899485 164034519 ZINC35859797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202207 FC(F)(F)c1cccc(CN2CC(=O)C(Sc3ccccc3)C2=O)c1 InChI=1S/C18H14F3NO2S/c19-18(20,21)13-6-4-5-12(9-13)10-22-11-15(23)16(17(22)24)25-14-7-2-1-3-8-14/h1-9,16H,10-11H2 ZTKLULRIBKQUJE-UHFFFAOYSA-N 93276 N-Substituted tetramic acid, 89 Beta-secretase 1 Homo sapiens >2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899486 164034520 ZINC34600509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202208 COc1ccc(CN2CC(=O)C(Sc3ccccc3)C2=O)cc1 InChI=1S/C18H17NO3S/c1-22-14-9-7-13(8-10-14)11-19-12-16(20)17(18(19)21)23-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3 JGCHQIODRMDCSS-UHFFFAOYSA-N 93277 N-Substituted tetramic acid, 91 Beta-secretase 1 Homo sapiens >2.00e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899487 164034521 ZINC34640245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202209 FC(F)(F)c1cccc(CSC2C(=O)CN(Cc3ccccc3)C2=O)c1 InChI=1S/C19H16F3NO2S/c20-19(21,22)15-8-4-7-14(9-15)12-26-17-16(24)11-23(18(17)25)10-13-5-2-1-3-6-13/h1-9,17H,10-12H2 JQXURPMGZYGVOL-UHFFFAOYSA-N 93278 N-Substituted tetramic acid, 92 Beta-secretase 1 Homo sapiens 2.12e+5 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899488 164034522 ZINC35847073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202210 FC(F)(F)c1cccc(CSC2C(=O)CN(CCc3ccccc3)C2=O)c1 InChI=1S/C20H18F3NO2S/c21-20(22,23)16-8-4-7-15(11-16)13-27-18-17(25)12-24(19(18)26)10-9-14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2 XZMWOWWFJBPMIF-UHFFFAOYSA-N 93279 N-Substituted tetramic acid, 93 Beta-secretase 1 Homo sapiens 184000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899489 164034523 ZINC38209457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202211 FC(F)(F)c1cccc(CSC2C(=O)CN(Cc3cccc(c3)C(F)(F)F)C2=O)c1 InChI=1S/C20H15F6NO2S/c21-19(22,23)14-5-1-3-12(7-14)9-27-10-16(28)17(18(27)29)30-11-13-4-2-6-15(8-13)20(24,25)26/h1-8,17H,9-11H2 AHJOUDYKQFZQNN-UHFFFAOYSA-N 93280 N-Substituted tetramic acid, 94 Beta-secretase 1 Homo sapiens 258000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899490 164034524 ZINC34631120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202212 FC(F)(F)c1cccc(CSC2C(=O)CN(Cc3ccc4OCOc4c3)C2=O)c1 InChI=1S/C20H16F3NO4S/c21-20(22,23)14-3-1-2-13(6-14)10-29-18-15(25)9-24(19(18)26)8-12-4-5-16-17(7-12)28-11-27-16/h1-7,18H,8-11H2 MSGLHUFUUVASIA-UHFFFAOYSA-N 93281 N-Substituted tetramic acid, 95 Beta-secretase 1 Homo sapiens 265000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899491 164034525 ZINC34661558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202213 COc1ccc(CN2CC(=O)C(SCc3cccc(c3)C(F)(F)F)C2=O)cc1 InChI=1S/C20H18F3NO3S/c1-27-16-7-5-13(6-8-16)10-24-11-17(25)18(19(24)26)28-12-14-3-2-4-15(9-14)20(21,22)23/h2-9,18H,10-12H2,1H3 ODJMZITUTJYLFQ-UHFFFAOYSA-N 93282 N-Substituted tetramic acid, 96 Beta-secretase 1 Homo sapiens 241000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899492 164034526 ZINC96142700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202214 O=C1CN(Cc2ccccc2)C(=O)C1SCCc1ccccc1 InChI=1S/C19H19NO2S/c21-17-14-20(13-16-9-5-2-6-10-16)19(22)18(17)23-12-11-15-7-3-1-4-8-15/h1-10,18H,11-14H2 JDECFFOWZONCHE-UHFFFAOYSA-N 93283 N-Substituted tetramic acid, 97 Beta-secretase 1 Homo sapiens 459000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899493 164034527 ZINC96142701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202215 O=C1CN(CCc2ccccc2)C(=O)C1SCCc1ccccc1 InChI=1S/C20H21NO2S/c22-18-15-21(13-11-16-7-3-1-4-8-16)20(23)19(18)24-14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2 OQCOASITJXAPLM-UHFFFAOYSA-N 93284 N-Substituted tetramic acid, 98 Beta-secretase 1 Homo sapiens 424000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899494 164034528 ZINC35930346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202216 FC(F)(F)c1cccc(CN2CC(=O)C(SCCc3ccccc3)C2=O)c1 InChI=1S/C20H18F3NO2S/c21-20(22,23)16-8-4-7-15(11-16)12-24-13-17(25)18(19(24)26)27-10-9-14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2 OBOYTNRYLSXKKL-UHFFFAOYSA-N 93285 N-Substituted tetramic acid, 99 Beta-secretase 1 Homo sapiens 212000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899495 164034529 ZINC96142702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202217 O=C1CN(Cc2ccc3OCOc3c2)C(=O)C1SCCc1ccccc1 InChI=1S/C20H19NO4S/c22-16-12-21(11-15-6-7-17-18(10-15)25-13-24-17)20(23)19(16)26-9-8-14-4-2-1-3-5-14/h1-7,10,19H,8-9,11-13H2 DKFPIBKZZCJRNM-UHFFFAOYSA-N 93286 N-Substituted tetramic acid, 100 Beta-secretase 1 Homo sapiens 139000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899496 164034530 ZINC34612315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202218 CC(C)CC1NC(=O)C(C1=O)S(=O)Cc1cccc(c1)C(F)(F)F InChI=1S/C16H18F3NO3S/c1-9(2)6-12-13(21)14(15(22)20-12)24(23)8-10-4-3-5-11(7-10)16(17,18)19/h3-5,7,9,12,14H,6,8H2,1-2H3,(H,20,22) OBNRZBKQIUGVRC-UHFFFAOYSA-N 93287 Sulfo-tetramic acid, 108 Beta-secretase 1 Homo sapiens >200000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899497 164034531 ZINC38208773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202219 CC(C)CC1NC(=O)C(C1=O)S(=O)(=O)Cc1cccc(c1)C(F)(F)F InChI=1S/C16H18F3NO4S/c1-9(2)6-12-13(21)14(15(22)20-12)25(23,24)8-10-4-3-5-11(7-10)16(17,18)19/h3-5,7,9,12,14H,6,8H2,1-2H3,(H,20,22) JQLKDJXBTFQKGM-UHFFFAOYSA-N 93288 Sulfo-tetramic acid, 109 Beta-secretase 1 Homo sapiens >200000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899498 164034532 ZINC96142703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 202220 COc1ccc(CN2CC(=O)C(SCCc3ccccc3)C2=O)cc1 InChI=1S/C20H21NO3S/c1-24-17-9-7-16(8-10-17)13-21-14-18(22)19(20(21)23)25-12-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3 QSWUGHOXZRQPOW-UHFFFAOYSA-N 93289 N-Substituted tetramic acid, 101 Beta-secretase 1 Homo sapiens >200000000 20.00 C Curated from the literature by BindingDB 10.1021/cc0600021 10.7270/Q279439P 16827559 aid1799903 Larbig, G; Schmidt, B Darmstadt Technical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=93289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91899499 164034533 ZINC38208658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214677 COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1[nH]c(N)nc1C(O)c1ccccc1 InChI=1S/C26H24F3N3O2/c1-34-20-13-9-17(10-14-20)21(15-16-7-11-19(12-8-16)26(27,28)29)22-23(32-25(30)31-22)24(33)18-5-3-2-4-6-18/h2-14,21,24,33H,15H2,1H3,(H3,30,31,32) PEISCVAISDVDHE-UHFFFAOYSA-N 98557 US8492387, 2 Beta-secretase 1 Homo sapiens 5e+3 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70791591 164039801 ZINC96168411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214678 Cn1cc(nc1N)C1(Cc2ccccc2)CCc2ccccc12 InChI=1S/C20H21N3/c1-23-14-18(22-19(23)21)20(13-15-7-3-2-4-8-15)12-11-16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H2,21,22) ADLOETABPCBQJL-UHFFFAOYSA-N 98556 US8492387, 3 Beta-secretase 1 Homo sapiens 1.2e+4 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44218796 164039800 ZINC96168407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214679 COc1ccc(cc1)C(Cc1cccc(Br)c1)c1cn(C)c(N)n1 InChI=1S/C19H20BrN3O/c1-23-12-18(22-19(23)21)17(11-13-4-3-5-15(20)10-13)14-6-8-16(24-2)9-7-14/h3-10,12,17H,11H2,1-2H3,(H2,21,22) WMWMOBHMDLLMAB-UHFFFAOYSA-N 98549 US8492387, 18 Beta-secretase 1 Homo sapiens 9e+2 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219585 164039793 ZINC96168396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214680 COc1ccc(cc1)C(Cc1cccc(c1)-c1ccc(cc1Cl)C(F)(F)F)c1cn(C)c(N)n1 InChI=1S/C26H23ClF3N3O/c1-33-15-24(32-25(33)31)22(17-6-9-20(34-2)10-7-17)13-16-4-3-5-18(12-16)21-11-8-19(14-23(21)27)26(28,29)30/h3-12,14-15,22H,13H2,1-2H3,(H2,31,32) ULERMYDPCRFPQG-UHFFFAOYSA-N 98550 US8492387, 45 Beta-secretase 1 Homo sapiens 1.1e+4 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219425 164039794 ZINC96168398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214681 COc1ccc(cc1)C1(CCCCC1)c1cn(C)c(N)n1 InChI=1S/C17H23N3O/c1-20-12-15(19-16(20)18)17(10-4-3-5-11-17)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19) JUTAXIBRLHICPU-UHFFFAOYSA-N 98551 US8492387, 52 Beta-secretase 1 Homo sapiens 2.7e+4 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219584 164039795 ZINC96168399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214682 COc1ccc(cc1)C(Cc1ccc(cc1)-c1ccc(=O)[nH]c1)c1cn(C)c(N)n1 InChI=1S/C24H24N4O2/c1-28-15-22(27-24(28)25)21(18-7-10-20(30-2)11-8-18)13-16-3-5-17(6-4-16)19-9-12-23(29)26-14-19/h3-12,14-15,21H,13H2,1-2H3,(H2,25,27)(H,26,29) CGSKUTVDJXNMIB-UHFFFAOYSA-N 98552 US8492387, 66 Beta-secretase 1 Homo sapiens 1.7e+4 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44217397 164039796 ZINC96168401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214683 COc1ccc2c(CCC2(Cc2cc(ccc2OC)[N+]([O-])=O)c2cn(C)c(N)n2)c1 InChI=1S/C22H24N4O4/c1-25-13-20(24-21(25)23)22(9-8-14-11-17(29-2)5-6-18(14)22)12-15-10-16(26(27)28)4-7-19(15)30-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,23,24) LOABEFJEEMGKBS-UHFFFAOYSA-N 98553 US8492387, 122 Beta-secretase 1 Homo sapiens 3.2e+3 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58138221 164039797 ZINC96168403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214684 COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(Cc3ccccc3)c(N)n2)c1 InChI=1S/C27H25F3N4O/c1-35-21-8-9-22-20(13-21)11-12-26(22,14-19-7-10-23(32-15-19)27(28,29)30)24-17-34(25(31)33-24)16-18-5-3-2-4-6-18/h2-10,13,15,17H,11-12,14,16H2,1H3,(H2,31,33) ZMBNCXPSSNTXIA-UHFFFAOYSA-N 98554 US8492387, 114 Beta-secretase 1 Homo sapiens 63 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44186788 164039798 ZINC96125945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 214685 COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(CCCO)c(N)n2)c1 InChI=1S/C23H25F3N4O2/c1-32-17-4-5-18-16(11-17)7-8-22(18,20-14-30(9-2-10-31)21(27)29-20)12-15-3-6-19(28-13-15)23(24,25)26/h3-6,11,13-14,31H,2,7-10,12H2,1H3,(H2,27,29) FNZBCPXUDIYPTM-UHFFFAOYSA-N 98555 US8492387, 126 Beta-secretase 1 Homo sapiens 3.3e+3 6.5 US Patent 10.7270/Q2DB80FN aid1799974 US8492387 Hills, ID; Coburn, CA; Graham, SL; Moore, KP; Nantermet, PG; Rajapakse, HA; Stachel, SJ; Zhu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44218353 164039799 ZINC96168405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220511 Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)o1 InChI=1S/C18H21N3O2S/c1-11-9-15(12(2)23-11)16(22)20-14-6-4-5-13(10-14)18(3)7-8-24-17(19)21-18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,21)(H,20,22)/t18-/m0/s1 AFVVAWRGFVCRMO-SFHVURJKSA-N 100987 US8507479, 3 Beta-secretase 1 Homo sapiens 8e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250930 165223448 ZINC96172028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220512 Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)s1 InChI=1S/C18H21N3OS2/c1-11-9-15(12(2)24-11)16(22)20-14-6-4-5-13(10-14)18(3)7-8-23-17(19)21-18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,21)(H,20,22)/t18-/m0/s1 VDAJFIYSGSXGEG-SFHVURJKSA-N 100988 US8507479, 11::US8541408, 11 Beta-secretase 1 Homo sapiens 1.7e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250938 165223449 ZINC96172029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220514 CC1(CCSC(N)=N1)c1cccc(N\C(=N\O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C19H24N6OS/c1-12-10-22-15(11-21-12)17(26)23-13-5-6-16(25(3)4)14(9-13)19(2)7-8-27-18(20)24-19/h5-6,9-11H,7-8H2,1-4H3,(H2,20,24)(H,23,26)/t19-/m0/s1 OYIYYCGXTSVTFD-IBGZPJMESA-N 102916 US8541408, 26 Beta-secretase 1 Homo sapiens 4.85e+3 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88589044 172098207 ZINC96173833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220515 C\C=C\COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C21H24N4O2S/c1-3-4-11-27-17-8-9-18(23-14-17)19(26)24-16-7-5-6-15(13-16)21(2)10-12-28-20(22)25-21/h3-9,13-14H,10-12H2,1-2H3,(H2,22,25)(H,24,26)/b4-3+/t21-/m0/s1 CZJZHSDCMZLNRA-SHTLVRLNSA-N 100991 US8507479, 34 Beta-secretase 1 Homo sapiens 1.0e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250709 165223452 ZINC96172032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220516 CSc1ccc(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H18FN3OS3/c1-17(7-8-24-16(19)21-17)11-9-10(3-4-12(11)18)20-15(22)13-5-6-14(23-2)25-13/h3-6,9H,7-8H2,1-2H3,(H2,19,21)(H,20,22)/t17-/m0/s1 ARMYNVLQTGPDFO-KRWDZBQOSA-N 100992 US8507479, 38 Beta-secretase 1 Homo sapiens 1.4e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250839 165223453 ZINC96172033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220517 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Br)s2)ccc1F InChI=1S/C16H15BrFN3OS2/c1-16(6-7-23-15(19)21-16)10-8-9(2-3-11(10)18)20-14(22)12-4-5-13(17)24-12/h2-5,8H,6-7H2,1H3,(H2,19,21)(H,20,22)/t16-/m0/s1 FWIUNZDAWUCMID-INIZCTEOSA-N 100993 US8507479, 41 Beta-secretase 1 Homo sapiens 1.5e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250752 165223454 ZINC96172034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220518 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C19H23N5O3S/c1-19(6-9-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)27-8-7-26-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25) RJVJNKJJGQFNQK-UHFFFAOYSA-N 100994 US8507479, 62 Beta-secretase 1 Homo sapiens 1.7e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250536 165223455 ZINC96172035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220519 CC#CC(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1 UHIXWFSSYYDGOE-HNNXBMFYSA-N 100995 US8507479, 65 Beta-secretase 1 Homo sapiens 7.2e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250263 165223456 ZINC96172036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220520 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(C=C)cn2)c1 InChI=1S/C18H19N5OS/c1-3-13-10-21-15(11-20-13)16(24)22-14-6-4-5-12(9-14)18(2)7-8-25-17(19)23-18/h3-6,9-11H,1,7-8H2,2H3,(H2,19,23)(H,22,24)/t18-/m0/s1 LSEROVCCXRMHBS-SFHVURJKSA-N 100996 US8507479, 66 Beta-secretase 1 Homo sapiens 1.5e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250649 165223457 ZINC96172037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220521 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H23N5O3S/c1-19(6-9-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)27-8-7-26-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 RJVJNKJJGQFNQK-IBGZPJMESA-N 100997 US8507479, 70 Beta-secretase 1 Homo sapiens 9e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250492 165223458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220522 CCCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H25N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h5-7,11-13H,3-4,8-10H2,1-2H3,(H2,21,25)(H,24,26) YQPMKLRSAJIIJZ-UHFFFAOYSA-N 100998 US8507479, 71 Beta-secretase 1 Homo sapiens 1.6e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250430 165223459 ZINC96172038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220523 CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H23N5O2S/c1-3-8-26-16-12-21-15(11-22-16)17(25)23-14-6-4-5-13(10-14)19(2)7-9-27-18(20)24-19/h4-6,10-12H,3,7-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 PTUPJCRZTUKAKL-IBGZPJMESA-N 100999 US8507479, 72 Beta-secretase 1 Homo sapiens 1.1e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250409 165223460 ZINC96172039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220524 CSCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H23N5O2S2/c1-19(6-8-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)26-7-9-27-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 BRTGXFZYUZGBIL-IBGZPJMESA-N 101000 US8507479, 76 Beta-secretase 1 Homo sapiens 1.8e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250243 165223461 ZINC96172040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220525 CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C18H21N5OS2/c1-3-25-15-11-20-14(10-21-15)16(24)22-13-6-4-5-12(9-13)18(2)7-8-26-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1 BMAIEHAATLKYFE-SFHVURJKSA-N 2677 US8507479, 140::US8507479, 80::US8541408, 80 Beta-secretase 1 Homo sapiens 7e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250461 242052644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220526 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC=C)cn2)c1 InChI=1S/C20H23N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h3,5-7,11-13H,1,4,8-10H2,2H3,(H2,21,25)(H,24,26)/t20-/m0/s1 WZFQYQRPZUHUOR-FQEVSTJZSA-N 101002 US8507479, 86 Beta-secretase 1 Homo sapiens 1.9e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250278 165223463 ZINC96172042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220527 CC(C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C20H25N5O2S/c1-13(2)12-27-17-11-22-16(10-23-17)18(26)24-15-6-4-5-14(9-15)20(3)7-8-28-19(21)25-20/h4-6,9-11,13H,7-8,12H2,1-3H3,(H2,21,25)(H,24,26)/t20-/m0/s1 RBZOOOXHHFZGKS-FQEVSTJZSA-N 101003 US8507479, 87 Beta-secretase 1 Homo sapiens 9e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250242 165223464 ZINC96172043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220528 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC(F)F)cn2)c1 InChI=1S/C18H19F2N5O2S/c1-18(5-6-28-17(21)25-18)11-3-2-4-12(7-11)24-16(26)13-8-23-15(9-22-13)27-10-14(19)20/h2-4,7-9,14H,5-6,10H2,1H3,(H2,21,25)(H,24,26)/t18-/m0/s1 WYIWOBJYOFQEAY-SFHVURJKSA-N 101004 US8507479, 92 Beta-secretase 1 Homo sapiens 8e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250510 165223465 ZINC96172044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220529 COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C20H23FN4O3S/c1-20(7-10-29-19(22)25-20)15-11-13(3-5-16(15)21)24-18(26)17-6-4-14(12-23-17)28-9-8-27-2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,25)(H,24,26)/t20-/m0/s1 AZXWGYDGLRCJSB-FQEVSTJZSA-N 101005 US8507479, 93 Beta-secretase 1 Homo sapiens 8e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250303 165223466 ZINC96172045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220530 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC3CCO3)cn2)c1 InChI=1S/C20H23N5O3S/c1-20(6-8-29-19(21)25-20)13-3-2-4-14(9-13)24-18(26)16-10-23-17(11-22-16)28-12-15-5-7-27-15/h2-4,9-11,15H,5-8,12H2,1H3,(H2,21,25)(H,24,26)/t15?,20-/m0/s1 XDPGUCZOTHSVFH-MBABXSBOSA-N 101006 US8507479, 94 Beta-secretase 1 Homo sapiens 1.7e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250593 165223467 ZINC96172046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220531 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCc3ccccc3)cn2)c1 InChI=1S/C23H23N5O2S/c1-23(10-11-31-22(24)28-23)17-8-5-9-18(12-17)27-21(29)19-13-26-20(14-25-19)30-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H2,24,28)(H,27,29)/t23-/m0/s1 VCUZXDSJBFJFFB-QHCPKHFHSA-N 101007 US8507479, 101 Beta-secretase 1 Homo sapiens 8e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250975 165223468 ZINC96172047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220532 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC#C)cn2)c1 InChI=1S/C20H21N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h1,5-7,11-13H,4,8-10H2,2H3,(H2,21,25)(H,24,26)/t20-/m0/s1 ZVKKCCNHUNOGMG-FQEVSTJZSA-N 101008 US8507479, 105 Beta-secretase 1 Homo sapiens 1.3e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250786 165223469 ZINC96172048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220533 CC#CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C21H23N5O2S/c1-3-4-5-10-28-18-14-23-17(13-24-18)19(27)25-16-8-6-7-15(12-16)21(2)9-11-29-20(22)26-21/h6-8,12-14H,5,9-11H2,1-2H3,(H2,22,26)(H,25,27)/t21-/m0/s1 KGGBPBMEJAIYQE-NRFANRHFSA-N 101009 US8507479, 106 Beta-secretase 1 Homo sapiens 1.2e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250788 165223470 ZINC96172049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220534 CC(=C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C20H23N5O2S/c1-13(2)12-27-17-11-22-16(10-23-17)18(26)24-15-6-4-5-14(9-15)20(3)7-8-28-19(21)25-20/h4-6,9-11H,1,7-8,12H2,2-3H3,(H2,21,25)(H,24,26)/t20-/m0/s1 FGZYHGSQWXMZED-FQEVSTJZSA-N 101010 US8507479, 109 Beta-secretase 1 Homo sapiens 1.0e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250503 165223471 ZINC96172050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220535 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cn2)c1 InChI=1S/C24H23FN4O2S/c1-24(11-12-32-23(26)29-24)17-3-2-4-19(13-17)28-22(30)21-10-9-20(14-27-21)31-15-16-5-7-18(25)8-6-16/h2-10,13-14H,11-12,15H2,1H3,(H2,26,29)(H,28,30)/t24-/m0/s1 PMYUGICRSHUJGW-DEOSSOPVSA-N 101011 US8507479, 111 Beta-secretase 1 Homo sapiens 1.8e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250952 165223472 ZINC96172051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220536 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F InChI=1S/C19H21FN4O3S/c1-19(6-9-28-18(21)24-19)14-10-12(2-4-15(14)20)23-17(26)16-5-3-13(11-22-16)27-8-7-25/h2-5,10-11,25H,6-9H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 HZLSLHLRACBAAN-IBGZPJMESA-N 101012 US8507479, 114 Beta-secretase 1 Homo sapiens 1.6e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250873 165223473 ZINC96172052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220537 COc1nc(Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(OC)n1 InChI=1S/C16H19FN6O2S/c1-16(6-7-26-12(18)23-16)10-8-9(4-5-11(10)17)19-13-20-14(24-2)22-15(21-13)25-3/h4-5,8H,6-7H2,1-3H3,(H2,18,23)(H,19,20,21,22)/t16-/m0/s1 JNCHNPPRMGKURQ-INIZCTEOSA-N 101013 US8507479, 126 Beta-secretase 1 Homo sapiens 2.14e+3 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250803 165223474 ZINC96172053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220538 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccco2)ccc1F InChI=1S/C20H18FN5O2S/c1-20(6-8-29-19(22)26-20)13-9-12(4-5-14(13)21)25-18(27)16-11-23-15(10-24-16)17-3-2-7-28-17/h2-5,7,9-11H,6,8H2,1H3,(H2,22,26)(H,25,27)/t20-/m0/s1 DDUHVQZYSCUFKU-FQEVSTJZSA-N 101014 US8507479, 136 Beta-secretase 1 Homo sapiens 1.1e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250601 165223475 ZINC96172054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220539 Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C1(C)CCSC(N)=N1 InChI=1S/C17H18ClN5OS/c1-10-3-4-11(22-15(24)13-8-21-14(18)9-20-13)7-12(10)17(2)5-6-25-16(19)23-17/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24) KFZBNXGVAUKQLR-UHFFFAOYSA-N 101015 US8507479, 141 Beta-secretase 1 Homo sapiens 1.2e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250928 165223476 ZINC96172055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220540 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)COc2ccccc2O)ccc1F InChI=1S/C19H20FN3O3S/c1-19(8-9-27-18(21)23-19)13-10-12(6-7-14(13)20)22-17(25)11-26-16-5-3-2-4-15(16)24/h2-7,10,24H,8-9,11H2,1H3,(H2,21,23)(H,22,25)/t19-/m0/s1 RSDWHUIXYKSYEX-IBGZPJMESA-N 101016 US8507479, 149 Beta-secretase 1 Homo sapiens 9.25e+3 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250472 165223477 ZINC96172056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220541 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2cccc(N)c2)ccc1F InChI=1S/C20H23FN4OS/c1-20(9-10-27-19(23)25-20)16-12-15(6-7-17(16)21)24-18(26)8-5-13-3-2-4-14(22)11-13/h2-4,6-7,11-12H,5,8-10,22H2,1H3,(H2,23,25)(H,24,26)/t20-/m0/s1 XUWVTMJPPLBZJZ-FQEVSTJZSA-N 101017 US8507479, 150 Beta-secretase 1 Homo sapiens 2.48e+3 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250535 165223478 ZINC96172057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220542 Cc1cc(SCC(=O)Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(N)n1 InChI=1S/C18H21FN6OS2/c1-10-7-15(24-16(20)22-10)28-9-14(26)23-11-3-4-13(19)12(8-11)18(2)5-6-27-17(21)25-18/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,25)(H,23,26)(H2,20,22,24)/t18-/m0/s1 GKBNHMWTJISSGH-SFHVURJKSA-N 101018 US8507479, 151 Beta-secretase 1 Homo sapiens 6.77e+3 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250734 165223479 ZINC96172058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220543 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CSc2nccc(O)n2)ccc1F InChI=1S/C17H18FN5O2S2/c1-17(5-7-26-15(19)23-17)11-8-10(2-3-12(11)18)21-14(25)9-27-16-20-6-4-13(24)22-16/h2-4,6,8H,5,7,9H2,1H3,(H2,19,23)(H,21,25)(H,20,22,24)/t17-/m0/s1 OPSUNBGKOLQZFQ-KRWDZBQOSA-N 101020 US8507479, 163 Beta-secretase 1 Homo sapiens 6.79e+3 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250447 165223481 ZINC96172060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220544 COCCOCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C21H26FN5O4S/c1-21(5-10-32-20(23)27-21)15-11-14(3-4-16(15)22)26-19(28)17-12-25-18(13-24-17)31-9-8-30-7-6-29-2/h3-4,11-13H,5-10H2,1-2H3,(H2,23,27)(H,26,28)/t21-/m0/s1 UVKZKADKAZXAFM-NRFANRHFSA-N 101021 US8507479, 164 Beta-secretase 1 Homo sapiens 8e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250988 165223482 ZINC96172061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220545 Cc1cn2cc(ncc2n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1 YCMKBHZLNZFGCA-IBGZPJMESA-N 101022 US8507479, 652 Beta-secretase 1 Homo sapiens 6e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250951 165223483 ZINC96172062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220546 CC1(C)C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ncccc2F)ccn1 InChI=1S/C18H20FN5OS/c1-17(2)10-18(3,24-16(20)26-17)13-9-11(6-8-21-13)23-15(25)14-12(19)5-4-7-22-14/h4-9H,10H2,1-3H3,(H2,20,24)(H,21,23,25)/t18-/m0/s1 YDJXVZIDQIWZQL-SFHVURJKSA-N 101023 US8507479, 655 Beta-secretase 1 Homo sapiens 1e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250418 165223484 ZINC96172063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220547 C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ncccc2F)ccc1F InChI=1S/C17H14F4N4OS/c1-16(17(20,21)8-27-15(22)25-16)10-7-9(4-5-11(10)18)24-14(26)13-12(19)3-2-6-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 MNIBPWROZYODMC-MRXNPFEDSA-N 101024 US8507479, 660 Beta-secretase 1 Homo sapiens 1.1e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250677 165223485 ZINC96172064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220548 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F InChI=1S/C17H16F3N5OS/c1-9-6-23-13(7-22-9)14(26)24-10-3-4-12(18)11(5-10)16(2)17(19,20)8-27-15(21)25-16/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1 CRPLGCKZUCPADZ-MRXNPFEDSA-N 101025 US8507479, 662 Beta-secretase 1 Homo sapiens 1.7e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250880 165223486 ZINC96172065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220549 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F InChI=1S/C16H15F3N4O2S/c1-8-21-12(6-25-8)13(24)22-9-3-4-11(17)10(5-9)15(2)16(18,19)7-26-14(20)23-15/h3-6H,7H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m1/s1 AYYBFTWPIBNTMS-OAHLLOKOSA-N 101026 US8507479, 664 Beta-secretase 1 Homo sapiens 2e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250644 165223487 ZINC96172066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220550 CCCCc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F InChI=1S/C21H23F3N4OS/c1-3-4-5-13-6-9-17(26-11-13)18(29)27-14-7-8-16(22)15(10-14)20(2)21(23,24)12-30-19(25)28-20/h6-11H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t20-/m1/s1 HZVDYOJJNKICNT-HXUWFJFHSA-N 101027 US8507479, 665 Beta-secretase 1 Homo sapiens 8.7e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250402 165223488 ZINC96172067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220551 C[C@]1(CCSC(N)=N1)c1cc(Nc2ncc3ccccn23)ccc1F InChI=1S/C18H18FN5S/c1-18(7-9-25-16(20)23-18)14-10-12(5-6-15(14)19)22-17-21-11-13-4-2-3-8-24(13)17/h2-6,8,10-11H,7,9H2,1H3,(H2,20,23)(H,21,22)/t18-/m0/s1 DBIAUUFKVHYVFU-SFHVURJKSA-N 101028 US8507479, 668 Beta-secretase 1 Homo sapiens 5.1e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250518 165223489 ZINC96172068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220552 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)(F)F)ccc1F InChI=1S/C16H14F4N4O2S/c1-15(4-5-27-14(21)24-15)9-6-8(2-3-10(9)17)22-12(25)11-7-26-13(23-11)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H2,21,24)(H,22,25)/t15-/m0/s1 PTTRJWDXRYWTSV-HNNXBMFYSA-N 101029 US8507479, 669 Beta-secretase 1 Homo sapiens 1e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25115955 165223490 ZINC96172069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220553 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC11CC1 InChI=1S/C19H20FN5OS/c1-11-8-23-15(9-22-11)16(26)24-12-3-4-14(20)13(7-12)18(2)19(5-6-19)10-27-17(21)25-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m1/s1 NOGGMIQGUZFIDD-GOSISDBHSA-N 101030 US8507479, 674 Beta-secretase 1 Homo sapiens 1e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250496 165223491 ZINC96172070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220554 COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 InChI=1S/C17H20N6O2S/c1-10-7-20-13(9-19-10)14(24)22-11-6-12(15(25-3)21-8-11)17(2)4-5-26-16(18)23-17/h6-9H,4-5H2,1-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1 NRKGBPFDYGIPKB-KRWDZBQOSA-N 101031 US8507479, 680 Beta-secretase 1 Homo sapiens 5e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250746 165223492 ZINC96172071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220555 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1 ZUARGEIOHVXBSK-QGZVFWFLSA-N 101032 US8507479, 689 Beta-secretase 1 Homo sapiens 4e+1 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250826 165223493 ZINC96172072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220556 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC#N)cn2)ccc1F InChI=1S/C18H18FN7OS/c1-18(4-7-28-17(21)26-18)12-8-11(2-3-13(12)19)25-16(27)14-9-24-15(10-23-14)22-6-5-20/h2-3,8-10H,4,6-7H2,1H3,(H2,21,26)(H,22,24)(H,25,27)/t18-/m0/s1 BWYAUCXINZEEKF-SFHVURJKSA-N 101033 US8507479, 701 Beta-secretase 1 Homo sapiens 2.0e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88589052 165223494 ZINC96172073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220557 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F InChI=1S/C18H18F4N6OS/c1-17(4-5-30-16(23)28-17)11-6-10(2-3-12(11)19)27-15(29)13-7-25-14(8-24-13)26-9-18(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H2,23,28)(H,25,26)(H,27,29)/t17-/m0/s1 YTISVJNOJAZCLS-KRWDZBQOSA-N 101034 US8507479, 702 Beta-secretase 1 Homo sapiens 1.6e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250721 165223495 ZINC96172074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220574 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C19H21FN6O2/c1-11-14(20)15(28-3)23-18(22-11)26-9-13-16(27)25(2)17(21)24-19(13,10-26)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H2,21,24)/t13-,19+/m0/s1 CYEJSPJMRTVXJN-ORAYPTAESA-N 102941 US8541427, 12 Beta-secretase 1 Homo sapiens 12 38 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467507 172098232 ZINC96173853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220575 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 LKDWXLBCDHUZRF-HXPMCKFVSA-N 102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45 Beta-secretase 1 Homo sapiens 8.5 28 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467574 172098235 ZINC96173856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220576 COc1nc(nc(C)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F InChI=1S/C19H20ClFN6O2/c1-10-14(20)15(29-3)24-18(23-10)27-8-12-16(28)26(2)17(22)25-19(12,9-27)11-6-4-5-7-13(11)21/h4-7,12H,8-9H2,1-3H3,(H2,22,25)/t12-,19+/m0/s1 VWBOQEDMLQMYHY-HXPMCKFVSA-N 102947 US8541427, 18 Beta-secretase 1 Homo sapiens 9.3 32 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467577 172098238 ZINC96173858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220577 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-10-16(29)27(2)17(23)26-19(10,8-28)13-11(20)5-4-6-12(13)21/h4-6,10H,7-8H2,1-3H3,(H2,23,26)/t10-,19-/m0/s1 NAXGDHGFSCZYGN-OVWNDWIMSA-N 102940 US8541427, 11 Beta-secretase 1 Homo sapiens 32 61 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467506 172098231 ZINC96173852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220578 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-13-16(28)26(2)17(22)25-19(13,9-27)11-4-6-12(20)7-5-11/h4-7,13H,8-9H2,1-3H3,(H2,22,25)/t13-,19+/m0/s1 VUVKLOMPJFHDFF-ORAYPTAESA-N 102946 US8541427, 17 Beta-secretase 1 Homo sapiens 7.3 16 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467576 172098237 ZINC68153036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220579 CCOc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C20H23FN6O2/c1-4-29-16-15(21)12(2)23-19(24-16)27-10-14-17(28)26(3)18(22)25-20(14,11-27)13-8-6-5-7-9-13/h5-9,14H,4,10-11H2,1-3H3,(H2,22,25)/t14-,20+/m0/s1 PFTIAJNVYBMLPN-VBKZILBWSA-N 102933 US8541427, 4 racemic Beta-secretase 1 Homo sapiens 59 323 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467433 172098224 ZINC96173847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220580 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1ccccc1 InChI=1S/C19H21FN6O/c1-11-15(20)12(2)23-18(22-11)26-9-14-16(27)25(3)17(21)24-19(14,10-26)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3,(H2,21,24)/t14-,19+/m0/s1 YBVHFBKWEBEMKU-IFXJQAMLSA-N 102952 US8541427, 23 racemic Beta-secretase 1 Homo sapiens 154 292 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467643 172098243 ZINC96173862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220581 CCOc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C20H23FN6O3/c1-4-30-16-14(21)15(29-3)23-19(24-16)27-10-13-17(28)26(2)18(22)25-20(13,11-27)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H2,22,25)/t13-,20+/m0/s1 JYMQUHNXWJFFIJ-RNODOKPDSA-N 102953 US8541427, 24 racemic Beta-secretase 1 Homo sapiens 137 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58252360 172098244 ZINC96173863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220582 CCc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C20H23FN6O/c1-4-15-16(21)12(2)23-19(24-15)27-10-14-17(28)26(3)18(22)25-20(14,11-27)13-8-6-5-7-9-13/h5-9,14H,4,10-11H2,1-3H3,(H2,22,25)/t14-,20+/m0/s1 BEGOBRNYXOMFHQ-VBKZILBWSA-N 102934 US8541427, 5 racemic Beta-secretase 1 Homo sapiens 61 217 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467434 172098225 ZINC96173848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220583 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C20H23FN6O2/c1-4-14-15(21)16(29-3)24-19(23-14)27-10-13-17(28)26(2)18(22)25-20(13,11-27)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H2,22,25)/t13-,20+/m0/s1 QSASCCWLAFUFLW-RNODOKPDSA-N 102935 US8541427, 6 racemic Beta-secretase 1 Homo sapiens 16 144 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467435 172098226 ZINC96173849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220584 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F InChI=1S/C19H18F4N6O2/c1-8-14(23)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-12(21)13(22)5-11(9)20/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19+/m0/s1 ITPNKZFHSOFLSJ-APBUJDDRSA-N 102937 US8541427, 8 Beta-secretase 1 Homo sapiens 7.7 35 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467504 172098228 ZINC68153044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220585 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1ccccc1 InChI=1S/C21H23FN6O/c1-12-16(22)17(13-8-9-13)25-20(24-12)28-10-15-18(29)27(2)19(23)26-21(15,11-28)14-6-4-3-5-7-14/h3-7,13,15H,8-11H2,1-2H3,(H2,23,26)/t15-,21+/m0/s1 QPFLJCORUPCHJG-YCRPNKLZSA-N 102954 US8541427, 25 racemic Beta-secretase 1 Homo sapiens 44 349 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467645 172098245 ZINC96173864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220586 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(Cl)c(n1)C1CC1)c1ccccc1 InChI=1S/C21H23ClN6O/c1-12-16(22)17(13-8-9-13)25-20(24-12)28-10-15-18(29)27(2)19(23)26-21(15,11-28)14-6-4-3-5-7-14/h3-7,13,15H,8-11H2,1-2H3,(H2,23,26)/t15-,21+/m0/s1 ROYCEFARUPDTED-YCRPNKLZSA-N 102936 US8541427, 7 racemic Beta-secretase 1 Homo sapiens 94 664 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467436 172098227 ZINC96173850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220587 CCc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C22H25ClN6O/c1-3-16-17(23)18(13-9-10-13)26-21(25-16)29-11-15-19(30)28(2)20(24)27-22(15,12-29)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H2,24,27)/t15-,22+/m0/s1 UREFRLNGLNBSHS-OYHNWAKOSA-N 102955 US8541427, 26 racemic Beta-secretase 1 Homo sapiens 180 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467646 172098246 ZINC96173865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220588 COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 InChI=1S/C19H20F2N6O3/c1-26-16(28)12-8-27(18-23-14(29-2)13(21)15(24-18)30-3)9-19(12,25-17(26)22)10-4-6-11(20)7-5-10/h4-7,12H,8-9H2,1-3H3,(H2,22,25)/t12-,19+/m0/s1 NAPJKGYDRZMCMA-HXPMCKFVSA-N 102956 US8541427, 27 Beta-secretase 1 Homo sapiens 4.4 61.5 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102956&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467709 172098247 ZINC96173866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220589 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1ccc(F)cc1 InChI=1S/C19H20F2N6O/c1-10-15(21)11(2)24-18(23-10)27-8-14-16(28)26(3)17(22)25-19(14,9-27)12-4-6-13(20)7-5-12/h4-7,14H,8-9H2,1-3H3,(H2,22,25)/t14-,19+/m0/s1 GAZBIPNILRNLMO-IFXJQAMLSA-N 102957 US8541427, 28 Beta-secretase 1 Homo sapiens 64 114 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467710 172098248 ZINC96173867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220590 COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O3/c1-27-16(29)11-7-28(18-24-14(30-2)13(22)15(25-18)31-3)8-19(11,26-17(27)23)10-6-9(20)4-5-12(10)21/h4-6,11H,7-8H2,1-3H3,(H2,23,26)/t11-,19+/m0/s1 ZSPKUYMLTMTYIK-JEOXALJRSA-N 102938 US8541427, 9 Beta-secretase 1 Homo sapiens 5.6 66 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467505 172098229 ZINC96173851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220591 COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C19H19F3N6O3/c1-27-16(29)11-7-28(18-24-14(30-2)13(22)15(25-18)31-3)8-19(11,26-17(27)23)10-5-4-9(20)6-12(10)21/h4-6,11H,7-8H2,1-3H3,(H2,23,26)/t11-,19+/m0/s1 YKTCVVUFQFHGJT-JEOXALJRSA-N 102939 US8541427, 10 Beta-secretase 1 Homo sapiens 1.8 7.5 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44247663 172098230 ZINC68153039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220592 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)c(F)c1F InChI=1S/C19H17F5N6O2/c1-7-12(22)15(32-3)27-18(26-7)30-5-8-16(31)29(2)17(25)28-19(8,6-30)11-9(20)4-10(21)13(23)14(11)24/h4,8H,5-6H2,1-3H3,(H2,25,28)/t8-,19-/m0/s1 RQQNLWISWSTQLK-RLBGWGEZSA-N 102958 US8541427, 29 Beta-secretase 1 Homo sapiens 30 93 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467711 172098249 ZINC96173868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220593 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 InChI=1S/C20H22F2N6O2/c1-4-14-15(22)16(30-3)25-19(24-14)28-9-13-17(29)27(2)18(23)26-20(13,10-28)11-5-7-12(21)8-6-11/h5-8,13H,4,9-10H2,1-3H3,(H2,23,26)/t13-,20+/m0/s1 LJWWCLWNCWALEC-RNODOKPDSA-N 102959 US8541427, 30 Beta-secretase 1 Homo sapiens 6.1 22 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467712 172098250 ZINC96173869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220594 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C20H21F3N6O2/c1-4-14-15(23)16(31-3)26-19(25-14)29-8-12-17(30)28(2)18(24)27-20(12,9-29)11-7-10(21)5-6-13(11)22/h5-7,12H,4,8-9H2,1-3H3,(H2,24,27)/t12-,20+/m0/s1 BMSLJUWQDAAICW-FKIZINRSSA-N 102960 US8541427, 31 Beta-secretase 1 Homo sapiens 6.9 31 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467713 172098251 ZINC96173870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220595 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C20H21F3N6O2/c1-4-14-15(23)16(31-3)26-19(25-14)29-8-12-17(30)28(2)18(24)27-20(12,9-29)11-6-5-10(21)7-13(11)22/h5-7,12H,4,8-9H2,1-3H3,(H2,24,27)/t12-,20+/m0/s1 VPIGILKZCIYGRP-FKIZINRSSA-N 102961 US8541427, 32 Beta-secretase 1 Homo sapiens 5.3 26 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467714 172098252 ZINC96173871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220596 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)cc1F InChI=1S/C19H18F4N6O2/c1-8-14(23)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)13-11(21)4-9(20)5-12(13)22/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19-/m0/s1 HSJXPRRTZVPZMV-OVWNDWIMSA-N 102942 US8541427, 13 Beta-secretase 1 Homo sapiens 15 21 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467508 172098233 ZINC96173854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220597 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cccc(Cl)c1 InChI=1S/C19H20ClFN6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-13-16(28)26(2)17(22)25-19(13,9-27)11-5-4-6-12(20)7-11/h4-7,13H,8-9H2,1-3H3,(H2,22,25)/t13-,19+/m0/s1 ALIDVRWRXLUICR-ORAYPTAESA-N 102962 US8541427, 33 Beta-secretase 1 Homo sapiens 39 176 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467781 172098253 ZINC96173872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220598 COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C21H21F3N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(24)17(27-20)32-2)9-21(13,28-19(29)25)12-7-11(22)5-6-14(12)23/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1 YJTNCACNJPPCAZ-YEJXKQKISA-N 102963 US8541427, 34 Beta-secretase 1 Homo sapiens 5.6 86 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467782 172098254 ZINC96173873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220599 COc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C21H21ClF2N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(22)17(27-20)32-2)9-21(13,28-19(29)25)12-7-11(23)5-6-14(12)24/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1 IZPZFKYSOPTHAX-YEJXKQKISA-N 102964 US8541427, 35 Beta-secretase 1 Homo sapiens 6.5 90 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467783 172098255 ZINC96173874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220513 Cc1nc(C)c(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H19FN4OS2/c1-9-14(25-10(2)20-9)15(23)21-11-4-5-13(18)12(8-11)17(3)6-7-24-16(19)22-17/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1 MJQLZWQVGABNFN-KRWDZBQOSA-N 100989 US8507479, 12::US8541408, 12 Beta-secretase 1 Homo sapiens 1.6e+2 7 US Patent 10.7270/Q2KK99D8 aid1800045 US8541408 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250330 165223450 ZINC96172030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220600 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1cc(F)ccc1F InChI=1S/C21H21F3N6O/c1-10-16(24)17(11-3-4-11)27-20(26-10)30-8-14-18(31)29(2)19(25)28-21(14,9-30)13-7-12(22)5-6-15(13)23/h5-7,11,14H,3-4,8-9H2,1-2H3,(H2,25,28)/t14-,21+/m0/s1 AXQBAQGPJGIEPA-LHSJRXKWSA-N 102966 US8541427, 37 Beta-secretase 1 Homo sapiens 26 235 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467785 172098257 ZINC96173876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220601 COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C21H21F3N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(24)17(27-20)32-2)9-21(13,28-19(29)25)12-6-5-11(22)7-14(12)23/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1 PJKIIGJWCYFDPJ-YEJXKQKISA-N 102967 US8541427, 38 Beta-secretase 1 Homo sapiens 2.7 31 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467786 172098258 ZINC96173877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220602 COc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C21H21ClF2N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(22)17(27-20)32-2)9-21(13,28-19(29)25)12-6-5-11(23)7-14(12)24/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1 ZHZQDOHUWJQPHD-YEJXKQKISA-N 102948 US8541427, 19 Beta-secretase 1 Homo sapiens 6.8 117 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467578 172098239 ZINC96173859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220603 COc1nc(nc(c1F)C(C)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C20H19F5N6O2/c1-19(24,25)14-13(23)15(33-3)28-18(27-14)31-7-11-16(32)30(2)17(26)29-20(11,8-31)10-5-4-9(21)6-12(10)22/h4-6,11H,7-8H2,1-3H3,(H2,26,29)/t11-,20+/m0/s1 VFJDOBFYHZNINF-PRWKNARSSA-N 102971 US8541427, 42 Beta-secretase 1 Homo sapiens 11 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467855 172098262 ZINC96173881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220604 COc1nc(nc(c1F)C(F)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C19H16F6N6O2/c1-30-15(32)10-6-31(17-27-13(19(23,24)25)12(22)14(28-17)33-2)7-18(10,29-16(30)26)9-4-3-8(20)5-11(9)21/h3-5,10H,6-7H2,1-2H3,(H2,26,29)/t10-,18+/m0/s1 GGBFCIDHKFDBIK-XTZNXHDOSA-N 102970 US8541427, 41 Beta-secretase 1 Homo sapiens 32 67 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467854 172098261 ZINC96173880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220605 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-12-16(28)26(2)17(22)25-19(12,9-27)11-6-4-5-7-13(11)20/h4-7,12H,8-9H2,1-3H3,(H2,22,25)/t12-,19+/m0/s1 NBQUUPYPQVTUSJ-HXPMCKFVSA-N 102945 US8541427, 16 Beta-secretase 1 Homo sapiens 6.0 16.5 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467575 172098236 ZINC96173857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220606 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1cccc(c1)C#N InChI=1S/C22H22FN7O/c1-12-17(23)18(14-6-7-14)27-21(26-12)30-10-16-19(31)29(2)20(25)28-22(16,11-30)15-5-3-4-13(8-15)9-24/h3-5,8,14,16H,6-7,10-11H2,1-2H3,(H2,25,28)/t16-,22+/m0/s1 WBMPVZVSGVQMJZ-KSFYIVLOSA-N 102943 US8541427, 14 Beta-secretase 1 Homo sapiens 43 213 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467509 172098234 ZINC96173855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220607 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)c(Cl)c1F InChI=1S/C19H18ClF3N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-5-11(21)12(20)14(9)23/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19+/m0/s1 ORQCMGPTGLLMAF-APBUJDDRSA-N 102968 US8541427, 39 racemic Beta-secretase 1 Homo sapiens 9.2 40 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467852 172098259 ZINC96173878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220608 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cccc(c1)C#N InChI=1S/C20H20FN7O2/c1-11-15(21)16(30-3)25-19(24-11)28-9-14-17(29)27(2)18(23)26-20(14,10-28)13-6-4-5-12(7-13)8-22/h4-7,14H,9-10H2,1-3H3,(H2,23,26)/t14-,20+/m0/s1 ZCEVKFOAMRRGNE-VBKZILBWSA-N 102965 US8541427, 36 Beta-secretase 1 Homo sapiens 14 63 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467784 172098256 ZINC96173875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220609 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)ccc(F)c1F InChI=1S/C19H18F4N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-9-16(30)28(2)17(24)27-19(9,7-29)12-10(20)4-5-11(21)14(12)23/h4-5,9H,6-7H2,1-3H3,(H2,24,27)/t9-,19-/m0/s1 VRRVVCOABSEJKG-UGZDLDLSSA-N 102969 US8541427, 40 Beta-secretase 1 Homo sapiens 53 224 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467853 172098260 ZINC96173879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220610 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 LKDWXLBCDHUZRF-HXPMCKFVSA-N 102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45 Beta-secretase 1 Homo sapiens 6.1 25 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467574 172098235 ZINC96173856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220611 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 LKDWXLBCDHUZRF-HXPMCKFVSA-N 102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45 Beta-secretase 1 Homo sapiens 7.3 23 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467574 172098235 ZINC96173856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220612 COc1nc(nc(CO)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C19H19F3N6O3/c1-27-16(30)11-6-28(18-24-13(7-29)14(22)15(25-18)31-2)8-19(11,26-17(27)23)10-4-3-9(20)5-12(10)21/h3-5,11,29H,6-8H2,1-2H3,(H2,23,26)/t11-,19+/m0/s1 XRSXOJBUXUSELV-JEOXALJRSA-N 102972 US8541427, 43 Beta-secretase 1 Homo sapiens 16 21 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467856 172098263 ZINC96173882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220613 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1Cl InChI=1S/C19H19ClF2N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(21)6-13(11)20/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 BDAWWEDGYKGFDO-HXPMCKFVSA-N 102949 US8541427, 20 Beta-secretase 1 Homo sapiens 4.5 9.5 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467579 172098240 ZINC68153046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220614 COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 InChI=1S/C21H22F2N6O2/c1-28-18(30)14-9-29(20-25-16(11-3-4-11)15(23)17(26-20)31-2)10-21(14,27-19(28)24)12-5-7-13(22)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,24,27)/t14-,21+/m0/s1 WZXBTJNJZKMPFJ-LHSJRXKWSA-N 102950 US8541427, 21 Beta-secretase 1 Homo sapiens 4.8 50 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467641 172098241 ZINC96173860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 220615 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F InChI=1S/C20H20F4N6O2/c1-4-14-15(24)16(32-3)27-19(26-14)30-7-10-17(31)29(2)18(25)28-20(10,8-30)9-5-12(22)13(23)6-11(9)21/h5-6,10H,4,7-8H2,1-3H3,(H2,25,28)/t10-,20+/m0/s1 RERJADICXSVIRE-WVDJIFEKSA-N 102951 US8541427, 22 Beta-secretase 1 Homo sapiens 5.6 18 30.00 C US Patent 10.7270/Q26D5RN4 aid1800048 US8541427 Stamford, AW; Zhu, Z; Mandal, M; Wu, Y; Cumming, JN; Liu, X; Li, G; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467642 172098242 ZINC96173861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218265 Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)o1 InChI=1S/C18H21N3O2S/c1-11-9-15(12(2)23-11)16(22)20-14-6-4-5-13(10-14)18(3)7-8-24-17(19)21-18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,21)(H,20,22)/t18-/m0/s1 AFVVAWRGFVCRMO-SFHVURJKSA-N 100987 US8507479, 3 Beta-secretase 1 Homo sapiens 8e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250930 165223448 ZINC96172028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218266 Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)s1 InChI=1S/C18H21N3OS2/c1-11-9-15(12(2)24-11)16(22)20-14-6-4-5-13(10-14)18(3)7-8-23-17(19)21-18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,21)(H,20,22)/t18-/m0/s1 VDAJFIYSGSXGEG-SFHVURJKSA-N 100988 US8507479, 11::US8541408, 11 Beta-secretase 1 Homo sapiens 1.7e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250938 165223449 ZINC96172029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218267 Cc1nc(C)c(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H19FN4OS2/c1-9-14(25-10(2)20-9)15(23)21-11-4-5-13(18)12(8-11)17(3)6-7-24-16(19)22-17/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1 MJQLZWQVGABNFN-KRWDZBQOSA-N 100989 US8507479, 12::US8541408, 12 Beta-secretase 1 Homo sapiens 1.6e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250330 165223450 ZINC96172030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218268 CC1(CCSC(N)=N1)c1cccc(c1)N=C(NO)c1ncc(Cl)cc1Cl InChI=1S/C17H17Cl2N5OS/c1-17(5-6-26-16(20)23-17)10-3-2-4-12(7-10)22-15(24-25)14-13(19)8-11(18)9-21-14/h2-4,7-9,25H,5-6H2,1H3,(H2,20,23)(H,22,24) LELYAHUIUXBTCM-UHFFFAOYSA-N 100990 US8507479, 26 Beta-secretase 1 Homo sapiens 4.85e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88589044 165223451 ZINC96172031 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218269 C\C=C\COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C21H24N4O2S/c1-3-4-11-27-17-8-9-18(23-14-17)19(26)24-16-7-5-6-15(13-16)21(2)10-12-28-20(22)25-21/h3-9,13-14H,10-12H2,1-2H3,(H2,22,25)(H,24,26)/b4-3+/t21-/m0/s1 CZJZHSDCMZLNRA-SHTLVRLNSA-N 100991 US8507479, 34 Beta-secretase 1 Homo sapiens 1.0e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250709 165223452 ZINC96172032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218270 CSc1ccc(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H18FN3OS3/c1-17(7-8-24-16(19)21-17)11-9-10(3-4-12(11)18)20-15(22)13-5-6-14(23-2)25-13/h3-6,9H,7-8H2,1-2H3,(H2,19,21)(H,20,22)/t17-/m0/s1 ARMYNVLQTGPDFO-KRWDZBQOSA-N 100992 US8507479, 38 Beta-secretase 1 Homo sapiens 1.4e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250839 165223453 ZINC96172033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218271 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Br)s2)ccc1F InChI=1S/C16H15BrFN3OS2/c1-16(6-7-23-15(19)21-16)10-8-9(2-3-11(10)18)20-14(22)12-4-5-13(17)24-12/h2-5,8H,6-7H2,1H3,(H2,19,21)(H,20,22)/t16-/m0/s1 FWIUNZDAWUCMID-INIZCTEOSA-N 100993 US8507479, 41 Beta-secretase 1 Homo sapiens 1.5e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250752 165223454 ZINC96172034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218272 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C19H23N5O3S/c1-19(6-9-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)27-8-7-26-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25) RJVJNKJJGQFNQK-UHFFFAOYSA-N 100994 US8507479, 62 Beta-secretase 1 Homo sapiens 1.7e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250536 165223455 ZINC96172035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218273 CC#CC(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1 UHIXWFSSYYDGOE-HNNXBMFYSA-N 100995 US8507479, 65 Beta-secretase 1 Homo sapiens 7.2e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250263 165223456 ZINC96172036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218274 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(C=C)cn2)c1 InChI=1S/C18H19N5OS/c1-3-13-10-21-15(11-20-13)16(24)22-14-6-4-5-12(9-14)18(2)7-8-25-17(19)23-18/h3-6,9-11H,1,7-8H2,2H3,(H2,19,23)(H,22,24)/t18-/m0/s1 LSEROVCCXRMHBS-SFHVURJKSA-N 100996 US8507479, 66 Beta-secretase 1 Homo sapiens 1.5e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250649 165223457 ZINC96172037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218275 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H23N5O3S/c1-19(6-9-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)27-8-7-26-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 RJVJNKJJGQFNQK-IBGZPJMESA-N 100997 US8507479, 70 Beta-secretase 1 Homo sapiens 9e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250492 165223458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218276 CCCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H25N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h5-7,11-13H,3-4,8-10H2,1-2H3,(H2,21,25)(H,24,26) YQPMKLRSAJIIJZ-UHFFFAOYSA-N 100998 US8507479, 71 Beta-secretase 1 Homo sapiens 1.6e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250430 165223459 ZINC96172038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218277 CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H23N5O2S/c1-3-8-26-16-12-21-15(11-22-16)17(25)23-14-6-4-5-13(10-14)19(2)7-9-27-18(20)24-19/h4-6,10-12H,3,7-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 PTUPJCRZTUKAKL-IBGZPJMESA-N 100999 US8507479, 72 Beta-secretase 1 Homo sapiens 1.1e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=100999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250409 165223460 ZINC96172039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218278 CSCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H23N5O2S2/c1-19(6-8-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)26-7-9-27-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 BRTGXFZYUZGBIL-IBGZPJMESA-N 101000 US8507479, 76 Beta-secretase 1 Homo sapiens 1.8e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250243 165223461 ZINC96172040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218279 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC=C)cn2)c1 InChI=1S/C20H23N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h3,5-7,11-13H,1,4,8-10H2,2H3,(H2,21,25)(H,24,26)/t20-/m0/s1 WZFQYQRPZUHUOR-FQEVSTJZSA-N 101002 US8507479, 86 Beta-secretase 1 Homo sapiens 1.9e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250278 165223463 ZINC96172042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218280 CC(C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C20H25N5O2S/c1-13(2)12-27-17-11-22-16(10-23-17)18(26)24-15-6-4-5-14(9-15)20(3)7-8-28-19(21)25-20/h4-6,9-11,13H,7-8,12H2,1-3H3,(H2,21,25)(H,24,26)/t20-/m0/s1 RBZOOOXHHFZGKS-FQEVSTJZSA-N 101003 US8507479, 87 Beta-secretase 1 Homo sapiens 9e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250242 165223464 ZINC96172043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218281 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC(F)F)cn2)c1 InChI=1S/C18H19F2N5O2S/c1-18(5-6-28-17(21)25-18)11-3-2-4-12(7-11)24-16(26)13-8-23-15(9-22-13)27-10-14(19)20/h2-4,7-9,14H,5-6,10H2,1H3,(H2,21,25)(H,24,26)/t18-/m0/s1 WYIWOBJYOFQEAY-SFHVURJKSA-N 101004 US8507479, 92 Beta-secretase 1 Homo sapiens 8e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250510 165223465 ZINC96172044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218282 COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C20H23FN4O3S/c1-20(7-10-29-19(22)25-20)15-11-13(3-5-16(15)21)24-18(26)17-6-4-14(12-23-17)28-9-8-27-2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,25)(H,24,26)/t20-/m0/s1 AZXWGYDGLRCJSB-FQEVSTJZSA-N 101005 US8507479, 93 Beta-secretase 1 Homo sapiens 8e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250303 165223466 ZINC96172045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218283 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC3CCO3)cn2)c1 InChI=1S/C20H23N5O3S/c1-20(6-8-29-19(21)25-20)13-3-2-4-14(9-13)24-18(26)16-10-23-17(11-22-16)28-12-15-5-7-27-15/h2-4,9-11,15H,5-8,12H2,1H3,(H2,21,25)(H,24,26)/t15?,20-/m0/s1 XDPGUCZOTHSVFH-MBABXSBOSA-N 101006 US8507479, 94 Beta-secretase 1 Homo sapiens 1.7e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250593 165223467 ZINC96172046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218284 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCc3ccccc3)cn2)c1 InChI=1S/C23H23N5O2S/c1-23(10-11-31-22(24)28-23)17-8-5-9-18(12-17)27-21(29)19-13-26-20(14-25-19)30-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H2,24,28)(H,27,29)/t23-/m0/s1 VCUZXDSJBFJFFB-QHCPKHFHSA-N 101007 US8507479, 101 Beta-secretase 1 Homo sapiens 8e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250975 165223468 ZINC96172047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218285 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC#C)cn2)c1 InChI=1S/C20H21N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h1,5-7,11-13H,4,8-10H2,2H3,(H2,21,25)(H,24,26)/t20-/m0/s1 ZVKKCCNHUNOGMG-FQEVSTJZSA-N 101008 US8507479, 105 Beta-secretase 1 Homo sapiens 1.3e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250786 165223469 ZINC96172048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218286 CC#CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C21H23N5O2S/c1-3-4-5-10-28-18-14-23-17(13-24-18)19(27)25-16-8-6-7-15(12-16)21(2)9-11-29-20(22)26-21/h6-8,12-14H,5,9-11H2,1-2H3,(H2,22,26)(H,25,27)/t21-/m0/s1 KGGBPBMEJAIYQE-NRFANRHFSA-N 101009 US8507479, 106 Beta-secretase 1 Homo sapiens 1.2e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250788 165223470 ZINC96172049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218287 CC(=C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C20H23N5O2S/c1-13(2)12-27-17-11-22-16(10-23-17)18(26)24-15-6-4-5-14(9-15)20(3)7-8-28-19(21)25-20/h4-6,9-11H,1,7-8,12H2,2-3H3,(H2,21,25)(H,24,26)/t20-/m0/s1 FGZYHGSQWXMZED-FQEVSTJZSA-N 101010 US8507479, 109 Beta-secretase 1 Homo sapiens 1.0e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250503 165223471 ZINC96172050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218288 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cn2)c1 InChI=1S/C24H23FN4O2S/c1-24(11-12-32-23(26)29-24)17-3-2-4-19(13-17)28-22(30)21-10-9-20(14-27-21)31-15-16-5-7-18(25)8-6-16/h2-10,13-14H,11-12,15H2,1H3,(H2,26,29)(H,28,30)/t24-/m0/s1 PMYUGICRSHUJGW-DEOSSOPVSA-N 101011 US8507479, 111 Beta-secretase 1 Homo sapiens 1.8e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250952 165223472 ZINC96172051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218289 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F InChI=1S/C19H21FN4O3S/c1-19(6-9-28-18(21)24-19)14-10-12(2-4-15(14)20)23-17(26)16-5-3-13(11-22-16)27-8-7-25/h2-5,10-11,25H,6-9H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 HZLSLHLRACBAAN-IBGZPJMESA-N 101012 US8507479, 114 Beta-secretase 1 Homo sapiens 1.6e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250873 165223473 ZINC96172052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218290 COc1nc(Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(OC)n1 InChI=1S/C16H19FN6O2S/c1-16(6-7-26-12(18)23-16)10-8-9(4-5-11(10)17)19-13-20-14(24-2)22-15(21-13)25-3/h4-5,8H,6-7H2,1-3H3,(H2,18,23)(H,19,20,21,22)/t16-/m0/s1 JNCHNPPRMGKURQ-INIZCTEOSA-N 101013 US8507479, 126 Beta-secretase 1 Homo sapiens 2.14e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250803 165223474 ZINC96172053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218291 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccco2)ccc1F InChI=1S/C20H18FN5O2S/c1-20(6-8-29-19(22)26-20)13-9-12(4-5-14(13)21)25-18(27)16-11-23-15(10-24-16)17-3-2-7-28-17/h2-5,7,9-11H,6,8H2,1H3,(H2,22,26)(H,25,27)/t20-/m0/s1 DDUHVQZYSCUFKU-FQEVSTJZSA-N 101014 US8507479, 136 Beta-secretase 1 Homo sapiens 1.1e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250601 165223475 ZINC96172054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218292 Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C1(C)CCSC(N)=N1 InChI=1S/C17H18ClN5OS/c1-10-3-4-11(22-15(24)13-8-21-14(18)9-20-13)7-12(10)17(2)5-6-25-16(19)23-17/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24) KFZBNXGVAUKQLR-UHFFFAOYSA-N 101015 US8507479, 141 Beta-secretase 1 Homo sapiens 1.2e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250928 165223476 ZINC96172055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218293 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)COc2ccccc2O)ccc1F InChI=1S/C19H20FN3O3S/c1-19(8-9-27-18(21)23-19)13-10-12(6-7-14(13)20)22-17(25)11-26-16-5-3-2-4-15(16)24/h2-7,10,24H,8-9,11H2,1H3,(H2,21,23)(H,22,25)/t19-/m0/s1 RSDWHUIXYKSYEX-IBGZPJMESA-N 101016 US8507479, 149 Beta-secretase 1 Homo sapiens 9.25e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250472 165223477 ZINC96172056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218294 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2cccc(N)c2)ccc1F InChI=1S/C20H23FN4OS/c1-20(9-10-27-19(23)25-20)16-12-15(6-7-17(16)21)24-18(26)8-5-13-3-2-4-14(22)11-13/h2-4,6-7,11-12H,5,8-10,22H2,1H3,(H2,23,25)(H,24,26)/t20-/m0/s1 XUWVTMJPPLBZJZ-FQEVSTJZSA-N 101017 US8507479, 150 Beta-secretase 1 Homo sapiens 2.48e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250535 165223478 ZINC96172057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218295 Cc1cc(SCC(=O)Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(N)n1 InChI=1S/C18H21FN6OS2/c1-10-7-15(24-16(20)22-10)28-9-14(26)23-11-3-4-13(19)12(8-11)18(2)5-6-27-17(21)25-18/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,25)(H,23,26)(H2,20,22,24)/t18-/m0/s1 GKBNHMWTJISSGH-SFHVURJKSA-N 101018 US8507479, 151 Beta-secretase 1 Homo sapiens 6.77e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250734 165223479 ZINC96172058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218296 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2ccc(O)c(O)c2)ccc1F InChI=1S/C20H22FN3O3S/c1-20(8-9-28-19(22)24-20)14-11-13(4-5-15(14)21)23-18(27)7-3-12-2-6-16(25)17(26)10-12/h2,4-6,10-11,25-26H,3,7-9H2,1H3,(H2,22,24)(H,23,27)/t20-/m0/s1 RJOUNGIYOAZIGM-FQEVSTJZSA-N 9487 US8507479, 155::US8541408, 155 Beta-secretase 1 Homo sapiens 5.96e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250726 242078881 ZINC22363992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218297 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CSc2nccc(O)n2)ccc1F InChI=1S/C17H18FN5O2S2/c1-17(5-7-26-15(19)23-17)11-8-10(2-3-12(11)18)21-14(25)9-27-16-20-6-4-13(24)22-16/h2-4,6,8H,5,7,9H2,1H3,(H2,19,23)(H,21,25)(H,20,22,24)/t17-/m0/s1 OPSUNBGKOLQZFQ-KRWDZBQOSA-N 101020 US8507479, 163 Beta-secretase 1 Homo sapiens 6.79e+3 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250447 165223481 ZINC96172060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218298 COCCOCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C21H26FN5O4S/c1-21(5-10-32-20(23)27-21)15-11-14(3-4-16(15)22)26-19(28)17-12-25-18(13-24-17)31-9-8-30-7-6-29-2/h3-4,11-13H,5-10H2,1-2H3,(H2,23,27)(H,26,28)/t21-/m0/s1 UVKZKADKAZXAFM-NRFANRHFSA-N 101021 US8507479, 164 Beta-secretase 1 Homo sapiens 8e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250988 165223482 ZINC96172061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218299 Cc1cn2cc(ncc2n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1 YCMKBHZLNZFGCA-IBGZPJMESA-N 101022 US8507479, 652 Beta-secretase 1 Homo sapiens 6e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250951 165223483 ZINC96172062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218300 CC1(C)C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ncccc2F)ccn1 InChI=1S/C18H20FN5OS/c1-17(2)10-18(3,24-16(20)26-17)13-9-11(6-8-21-13)23-15(25)14-12(19)5-4-7-22-14/h4-9H,10H2,1-3H3,(H2,20,24)(H,21,23,25)/t18-/m0/s1 YDJXVZIDQIWZQL-SFHVURJKSA-N 101023 US8507479, 655 Beta-secretase 1 Homo sapiens 1e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250418 165223484 ZINC96172063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218301 C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ncccc2F)ccc1F InChI=1S/C17H14F4N4OS/c1-16(17(20,21)8-27-15(22)25-16)10-7-9(4-5-11(10)18)24-14(26)13-12(19)3-2-6-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 MNIBPWROZYODMC-MRXNPFEDSA-N 101024 US8507479, 660 Beta-secretase 1 Homo sapiens 1.1e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250677 165223485 ZINC96172064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218302 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F InChI=1S/C17H16F3N5OS/c1-9-6-23-13(7-22-9)14(26)24-10-3-4-12(18)11(5-10)16(2)17(19,20)8-27-15(21)25-16/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1 CRPLGCKZUCPADZ-MRXNPFEDSA-N 101025 US8507479, 662 Beta-secretase 1 Homo sapiens 1.7e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250880 165223486 ZINC96172065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218303 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F InChI=1S/C16H15F3N4O2S/c1-8-21-12(6-25-8)13(24)22-9-3-4-11(17)10(5-9)15(2)16(18,19)7-26-14(20)23-15/h3-6H,7H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m1/s1 AYYBFTWPIBNTMS-OAHLLOKOSA-N 101026 US8507479, 664 Beta-secretase 1 Homo sapiens 2e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250644 165223487 ZINC96172066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218304 CCCCc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F InChI=1S/C21H23F3N4OS/c1-3-4-5-13-6-9-17(26-11-13)18(29)27-14-7-8-16(22)15(10-14)20(2)21(23,24)12-30-19(25)28-20/h6-11H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t20-/m1/s1 HZVDYOJJNKICNT-HXUWFJFHSA-N 101027 US8507479, 665 Beta-secretase 1 Homo sapiens 8.7e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250402 165223488 ZINC96172067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218305 C[C@]1(CCSC(N)=N1)c1cc(Nc2ncc3ccccn23)ccc1F InChI=1S/C18H18FN5S/c1-18(7-9-25-16(20)23-18)14-10-12(5-6-15(14)19)22-17-21-11-13-4-2-3-8-24(13)17/h2-6,8,10-11H,7,9H2,1H3,(H2,20,23)(H,21,22)/t18-/m0/s1 DBIAUUFKVHYVFU-SFHVURJKSA-N 101028 US8507479, 668 Beta-secretase 1 Homo sapiens 5.1e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250518 165223489 ZINC96172068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218306 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)(F)F)ccc1F InChI=1S/C16H14F4N4O2S/c1-15(4-5-27-14(21)24-15)9-6-8(2-3-10(9)17)22-12(25)11-7-26-13(23-11)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H2,21,24)(H,22,25)/t15-/m0/s1 PTTRJWDXRYWTSV-HNNXBMFYSA-N 101029 US8507479, 669 Beta-secretase 1 Homo sapiens 1e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25115955 165223490 ZINC96172069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218307 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC11CC1 InChI=1S/C19H20FN5OS/c1-11-8-23-15(9-22-11)16(26)24-12-3-4-14(20)13(7-12)18(2)19(5-6-19)10-27-17(21)25-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m1/s1 NOGGMIQGUZFIDD-GOSISDBHSA-N 101030 US8507479, 674 Beta-secretase 1 Homo sapiens 1e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250496 165223491 ZINC96172070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218308 COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 InChI=1S/C17H20N6O2S/c1-10-7-20-13(9-19-10)14(24)22-11-6-12(15(25-3)21-8-11)17(2)4-5-26-16(18)23-17/h6-9H,4-5H2,1-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1 NRKGBPFDYGIPKB-KRWDZBQOSA-N 101031 US8507479, 680 Beta-secretase 1 Homo sapiens 5e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250746 165223492 ZINC96172071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218309 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1 ZUARGEIOHVXBSK-QGZVFWFLSA-N 101032 US8507479, 689 Beta-secretase 1 Homo sapiens 4e+1 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250826 165223493 ZINC96172072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218310 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC#N)cn2)ccc1F InChI=1S/C18H18FN7OS/c1-18(4-7-28-17(21)26-18)12-8-11(2-3-13(12)19)25-16(27)14-9-24-15(10-23-14)22-6-5-20/h2-3,8-10H,4,6-7H2,1H3,(H2,21,26)(H,22,24)(H,25,27)/t18-/m0/s1 BWYAUCXINZEEKF-SFHVURJKSA-N 101033 US8507479, 701 Beta-secretase 1 Homo sapiens 2.0e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88589052 165223494 ZINC96172073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 218311 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F InChI=1S/C18H18F4N6OS/c1-17(4-5-30-16(23)28-17)11-6-10(2-3-12(11)19)27-15(29)13-7-25-14(8-24-13)26-9-18(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H2,23,28)(H,25,26)(H,27,29)/t17-/m0/s1 YTISVJNOJAZCLS-KRWDZBQOSA-N 101034 US8507479, 702 Beta-secretase 1 Homo sapiens 1.6e+2 US Patent 10.7270/Q2KS6Q6G aid1800015 US8507479 Tamura, Y; Suzuki, S; Tada, Y; Fujikoshi, C; Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=101034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250721 165223495 ZINC96172074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221252 CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 InChI=1S/C19H20FN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24) YBMZEZJMALJSSB-UHFFFAOYSA-N 103423 US8546380, 1186::US8633188, 1186 Beta-secretase 1 Homo sapiens 5.7e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627590 172098714 ZINC96174374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221253 Cc1ccc(NC(=O)COc2cccc(c2)C2(C)CCSC(N)=N2)cc1O InChI=1S/C20H23N3O3S/c1-13-6-7-15(11-17(13)24)22-18(25)12-26-16-5-3-4-14(10-16)20(2)8-9-27-19(21)23-20/h3-7,10-11,24H,8-9,12H2,1-2H3,(H2,21,23)(H,22,25) BQIRXEYCAIXNTB-UHFFFAOYSA-N 103396 US8546380, 639::US8633188, 639 Beta-secretase 1 Homo sapiens 7.9e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627224 172098687 ZINC96174322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221254 Cc1ccc(NC(=O)COc2cccc(c2)C2(C)CCSC(N)=N2)cc1F InChI=1S/C20H22FN3O2S/c1-13-6-7-15(11-17(13)21)23-18(25)12-26-16-5-3-4-14(10-16)20(2)8-9-27-19(22)24-20/h3-7,10-11H,8-9,12H2,1-2H3,(H2,22,24)(H,23,25) ZPOCPDWWKWBRFR-UHFFFAOYSA-N 103415 US8546380, 1000::US8633188, 1000 Beta-secretase 1 Homo sapiens 8.0e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627735 172098706 ZINC96174358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221255 CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 InChI=1S/C19H20ClN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24) CQDDFFKQHIFUIV-UHFFFAOYSA-N 103381 US8546380, 246::US8633188, 246 Beta-secretase 1 Homo sapiens 2.9e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627803 172098672 ZINC96174292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221256 CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2cccc(O)c2)c1 InChI=1S/C19H21N3O3S/c1-19(8-9-26-18(20)22-19)13-4-2-7-16(10-13)25-12-17(24)21-14-5-3-6-15(23)11-14/h2-7,10-11,23H,8-9,12H2,1H3,(H2,20,22)(H,21,24) JWPVAHGVVQVNCV-UHFFFAOYSA-N 103382 US8546380, 269::US8633188, 269 Beta-secretase 1 Homo sapiens 7.0e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627698 172098673 ZINC96174294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221257 CC1(CCSC(N)=N1)c1cccc(OCCCc2ccccc2)c1 InChI=1S/C20H24N2OS/c1-20(12-14-24-19(21)22-20)17-10-5-11-18(15-17)23-13-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,15H,6,9,12-14H2,1H3,(H2,21,22) YJLHAJGUJSJUTR-UHFFFAOYSA-N 103416 US8546380, 1010::US8633188, 1010 Beta-secretase 1 Homo sapiens 2.8e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627409 172098707 ZINC96174360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221258 CCOC(=O)C=Cc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C16H20N2O2S/c1-3-20-14(19)8-7-12-5-4-6-13(11-12)16(2)9-10-21-15(17)18-16/h4-8,11H,3,9-10H2,1-2H3,(H2,17,18) MBZUHMJQLTXYDS-UHFFFAOYSA-N 103386 US8546380, 417::US8633188, 417 Beta-secretase 1 Homo sapiens 5.0e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627044 172098677 ZINC96174302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221259 CC1(CCSC(N)=N1)c1cccc(\C=C\c2ccc(Cl)cc2)c1 InChI=1S/C19H19ClN2S/c1-19(11-12-23-18(21)22-19)16-4-2-3-15(13-16)6-5-14-7-9-17(20)10-8-14/h2-10,13H,11-12H2,1H3,(H2,21,22)/b6-5+ HNANTVXZSCPDJH-AATRIKPKSA-N 103375 US8546380, 161::US8633188, 161 Beta-secretase 1 Homo sapiens 7.7e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627477 172098666 ZINC96174280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221260 CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3 ILIUOAJYRLUFQV-UHFFFAOYSA-N 34542 US8546380, 220::US8633188, 220 Beta-secretase 1 Homo sapiens 1.5e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627669 249738294 ZINC00246567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221261 CC1(CCSC(N)=N1)c1cccc(OCCCc2ccc(Cl)cc2)c1 InChI=1S/C20H23ClN2OS/c1-20(11-13-25-19(22)23-20)16-5-2-6-18(14-16)24-12-3-4-15-7-9-17(21)10-8-15/h2,5-10,14H,3-4,11-13H2,1H3,(H2,22,23) BLMYKOOXEALXBP-UHFFFAOYSA-N 103427 US8546380, 1207::US8633188, 1207 Beta-secretase 1 Homo sapiens 4.0e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626912 172098718 ZINC96174382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221262 CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1 InChI=1S/C20H20ClN3OS/c1-20(11-12-26-19(22)24-20)15-4-2-3-14(13-15)5-10-18(25)23-17-8-6-16(21)7-9-17/h2-10,13H,11-12H2,1H3,(H2,22,24)(H,23,25) NFDMMLYHZFVISM-UHFFFAOYSA-N 103414 US8546380, 998::US8633188, 998 Beta-secretase 1 Homo sapiens 4.5e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627333 172098705 ZINC96174356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221263 CCOC(=O)C(F)=Cc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C16H19FN2O2S/c1-3-21-14(20)13(17)10-11-5-4-6-12(9-11)16(2)7-8-22-15(18)19-16/h4-6,9-10H,3,7-8H2,1-2H3,(H2,18,19) BCVTXXHFYNJJLE-UHFFFAOYSA-N 103426 US8546380, 1205::US8633188, 1205 Beta-secretase 1 Homo sapiens 8.1e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627730 172098717 ZINC96174380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221264 CC1(CCSC(N)=N1)c1cccc(C=Cc2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN3S/c1-18(9-10-23-17(20)22-18)14-4-2-3-13(11-14)5-7-16-8-6-15(19)12-21-16/h2-8,11-12H,9-10H2,1H3,(H2,20,22) BLLJTLUCMVMYGB-UHFFFAOYSA-N 103394 US8546380, 616::US8633188, 616 Beta-secretase 1 Homo sapiens 5.9e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628041 172098685 ZINC96174318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221265 CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cn2)c1 InChI=1S/C19H19ClN4OS/c1-19(9-10-26-18(21)24-19)14-4-2-3-13(11-14)5-8-17(25)23-16-7-6-15(20)12-22-16/h2-8,11-12H,9-10H2,1H3,(H2,21,24)(H,22,23,25) HEBGLNQNACCBPV-UHFFFAOYSA-N 103391 US8546380, 504::US8633188, 504 Beta-secretase 1 Homo sapiens 2.5e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627934 172098682 ZINC96174312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221266 CC1(CCSC(N)=N1)c1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1 InChI=1S/C21H19FN4OS/c1-21(10-11-28-20(23)26-21)14-7-8-15(22)18(12-14)25-19(27)17-9-6-13-4-2-3-5-16(13)24-17/h2-9,12H,10-11H2,1H3,(H2,23,26)(H,25,27) FQAMTABCBYLSGA-UHFFFAOYSA-N 103406 US8546380, 799::US8633188, 799 Beta-secretase 1 Homo sapiens 6.7e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627127 172098697 ZINC96174340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221267 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cccs2)c1 InChI=1S/C16H16BrN3OS2/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21) ILVSANQLNIXSKF-UHFFFAOYSA-N 103389 US8546380, 490::US8633188, 490 Beta-secretase 1 Homo sapiens 5.1e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627005 172098680 ZINC96174308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221268 CC1(CCSC(N)=N1)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F InChI=1S/C20H18F2N4OS/c1-20(6-7-28-19(23)26-20)14-10-13(3-4-15(14)22)24-18(27)17-9-11-8-12(21)2-5-16(11)25-17/h2-5,8-10,25H,6-7H2,1H3,(H2,23,26)(H,24,27) GARAICGSKAAZGK-UHFFFAOYSA-N 103413 US8546380, 972::US8633188, 972 Beta-secretase 1 Homo sapiens 4.5e+2 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627149 172098704 ZINC96174354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221269 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccccn2)c1 InChI=1S/C17H17BrN4OS/c1-17(5-7-24-16(19)22-17)11-8-12(18)10-13(9-11)21-15(23)14-4-2-3-6-20-14/h2-4,6,8-10H,5,7H2,1H3,(H2,19,22)(H,21,23) VUGVQXNXILELRB-UHFFFAOYSA-N 103422 US8546380, 1160::US8633188, 1160 Beta-secretase 1 Homo sapiens 7.2e+2 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626976 172098713 ZINC96174372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221270 CC1(CCSC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 InChI=1S/C18H20ClN3S/c1-18(9-10-23-17(20)22-18)14-3-2-4-16(11-14)21-12-13-5-7-15(19)8-6-13/h2-8,11,21H,9-10,12H2,1H3,(H2,20,22) BXFOFZMIFLLOSW-UHFFFAOYSA-N 103403 US8546380, 753::US8633188, 753 Beta-secretase 1 Homo sapiens 5.6e+3 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627597 172098694 ZINC96174334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221271 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccco2)c1 InChI=1S/C16H16BrN3O2S/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21) FBNXVLRUPWHORJ-UHFFFAOYSA-N 103404 US8546380, 786::US8633188, 786 Beta-secretase 1 Homo sapiens 156 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627082 172098695 ZINC96174336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221272 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H16BrClN4OS/c1-17(4-5-25-16(20)23-17)10-6-11(18)8-13(7-10)22-15(24)14-3-2-12(19)9-21-14/h2-3,6-9H,4-5H2,1H3,(H2,20,23)(H,22,24) QMKHYSVSHRKRDE-UHFFFAOYSA-N 103377 US8546380, 165::US8633188, 165 Beta-secretase 1 Homo sapiens 39.4 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627758 172098668 ZINC96174284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221273 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccno2)c1 InChI=1S/C15H15BrN4O2S/c1-15(3-5-23-14(17)20-15)9-6-10(16)8-11(7-9)19-13(21)12-2-4-18-22-12/h2,4,6-8H,3,5H2,1H3,(H2,17,20)(H,19,21) YLCKZEZNPMEAHS-UHFFFAOYSA-N 103420 US8546380, 1132::US8633188, 1132 Beta-secretase 1 Homo sapiens 2563 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627216 172098711 ZINC96174368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221274 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2nc3ccccc3s2)c1 InChI=1S/C19H17BrN4OS2/c1-19(6-7-26-18(21)24-19)11-8-12(20)10-13(9-11)22-16(25)17-23-14-4-2-3-5-15(14)27-17/h2-5,8-10H,6-7H2,1H3,(H2,21,24)(H,22,25) BWOLBUZJJOBJKW-UHFFFAOYSA-N 103392 US8546380, 570::US8633188, 570 Beta-secretase 1 Homo sapiens 149 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627734 172098683 ZINC96174314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221276 Cc1cc(C(=O)Nc2cc(Br)cc(c2)C2(C)CCSC(N)=N2)c(C)o1 InChI=1S/C18H20BrN3O2S/c1-10-6-15(11(2)24-10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23) MTQUNEVSXBMCID-UHFFFAOYSA-N 103387 US8546380, 731::US8633188, 731 Beta-secretase 1 Homo sapiens 278 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627317 172098678 ZINC96174304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 221277 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Br)cc2)c1 InChI=1S/C18H17Br2N3OS/c1-18(6-7-25-17(21)23-18)12-8-14(20)10-15(9-12)22-16(24)11-2-4-13(19)5-3-11/h2-5,8-10H,6-7H2,1H3,(H2,21,23)(H,22,24) PHJFZRAUMOGOJZ-UHFFFAOYSA-N 103429 US8546380, 1262::US8633188, 1262 Beta-secretase 1 Homo sapiens 140 5 30.00 C US Patent 10.7270/Q2HQ3XJ0 aid1800064 US8546380 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626942 172098720 ZINC96174386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235164 CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 InChI=1S/C19H20FN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24) YBMZEZJMALJSSB-UHFFFAOYSA-N 103423 US8546380, 1186::US8633188, 1186 Beta-secretase 1 Homo sapiens 5700 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627590 172098714 ZINC96174374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235165 Cc1ccc(NC(=O)COc2cccc(c2)C2(C)CCSC(N)=N2)cc1O InChI=1S/C20H23N3O3S/c1-13-6-7-15(11-17(13)24)22-18(25)12-26-16-5-3-4-14(10-16)20(2)8-9-27-19(21)23-20/h3-7,10-11,24H,8-9,12H2,1-2H3,(H2,21,23)(H,22,25) BQIRXEYCAIXNTB-UHFFFAOYSA-N 103396 US8546380, 639::US8633188, 639 Beta-secretase 1 Homo sapiens 7900 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627224 172098687 ZINC96174322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235166 Cc1ccc(NC(=O)COc2cccc(c2)C2(C)CCSC(N)=N2)cc1F InChI=1S/C20H22FN3O2S/c1-13-6-7-15(11-17(13)21)23-18(25)12-26-16-5-3-4-14(10-16)20(2)8-9-27-19(22)24-20/h3-7,10-11H,8-9,12H2,1-2H3,(H2,22,24)(H,23,25) ZPOCPDWWKWBRFR-UHFFFAOYSA-N 103415 US8546380, 1000::US8633188, 1000 Beta-secretase 1 Homo sapiens 8000 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627735 172098706 ZINC96174358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235167 CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 InChI=1S/C19H20ClN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24) CQDDFFKQHIFUIV-UHFFFAOYSA-N 103381 US8546380, 246::US8633188, 246 Beta-secretase 1 Homo sapiens 2900 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627803 172098672 ZINC96174292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235168 CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2cccc(O)c2)c1 InChI=1S/C19H21N3O3S/c1-19(8-9-26-18(20)22-19)13-4-2-7-16(10-13)25-12-17(24)21-14-5-3-6-15(23)11-14/h2-7,10-11,23H,8-9,12H2,1H3,(H2,20,22)(H,21,24) JWPVAHGVVQVNCV-UHFFFAOYSA-N 103382 US8546380, 269::US8633188, 269 Beta-secretase 1 Homo sapiens 7000 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627698 172098673 ZINC96174294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235169 CC1(CCSC(N)=N1)c1cccc(OCCCc2ccccc2)c1 InChI=1S/C20H24N2OS/c1-20(12-14-24-19(21)22-20)17-10-5-11-18(15-17)23-13-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,15H,6,9,12-14H2,1H3,(H2,21,22) YJLHAJGUJSJUTR-UHFFFAOYSA-N 103416 US8546380, 1010::US8633188, 1010 Beta-secretase 1 Homo sapiens 2800 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627409 172098707 ZINC96174360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235170 CCOC(=O)C=Cc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C16H20N2O2S/c1-3-20-14(19)8-7-12-5-4-6-13(11-12)16(2)9-10-21-15(17)18-16/h4-8,11H,3,9-10H2,1-2H3,(H2,17,18) MBZUHMJQLTXYDS-UHFFFAOYSA-N 103386 US8546380, 417::US8633188, 417 Beta-secretase 1 Homo sapiens 5000 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627044 172098677 ZINC96174302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235171 CC1(CCSC(N)=N1)c1cccc(\C=C\c2ccc(Cl)cc2)c1 InChI=1S/C19H19ClN2S/c1-19(11-12-23-18(21)22-19)16-4-2-3-15(13-16)6-5-14-7-9-17(20)10-8-14/h2-10,13H,11-12H2,1H3,(H2,21,22)/b6-5+ HNANTVXZSCPDJH-AATRIKPKSA-N 103375 US8546380, 161::US8633188, 161 Beta-secretase 1 Homo sapiens 7700 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627477 172098666 ZINC96174280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235172 CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3 ILIUOAJYRLUFQV-UHFFFAOYSA-N 34542 US8546380, 220::US8633188, 220 Beta-secretase 1 Homo sapiens 1500 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627669 249738294 ZINC00246567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235173 CC1(CCSC(N)=N1)c1cccc(OCCCc2ccc(Cl)cc2)c1 InChI=1S/C20H23ClN2OS/c1-20(11-13-25-19(22)23-20)16-5-2-6-18(14-16)24-12-3-4-15-7-9-17(21)10-8-15/h2,5-10,14H,3-4,11-13H2,1H3,(H2,22,23) BLMYKOOXEALXBP-UHFFFAOYSA-N 103427 US8546380, 1207::US8633188, 1207 Beta-secretase 1 Homo sapiens 4000 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626912 172098718 ZINC96174382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235174 CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1 InChI=1S/C20H20ClN3OS/c1-20(11-12-26-19(22)24-20)15-4-2-3-14(13-15)5-10-18(25)23-17-8-6-16(21)7-9-17/h2-10,13H,11-12H2,1H3,(H2,22,24)(H,23,25) NFDMMLYHZFVISM-UHFFFAOYSA-N 103414 US8546380, 998::US8633188, 998 Beta-secretase 1 Homo sapiens 4500 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627333 172098705 ZINC96174356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235175 CCOC(=O)C(F)=Cc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C16H19FN2O2S/c1-3-21-14(20)13(17)10-11-5-4-6-12(9-11)16(2)7-8-22-15(18)19-16/h4-6,9-10H,3,7-8H2,1-2H3,(H2,18,19) BCVTXXHFYNJJLE-UHFFFAOYSA-N 103426 US8546380, 1205::US8633188, 1205 Beta-secretase 1 Homo sapiens 8100 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627730 172098717 ZINC96174380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235176 CC1(CCSC(N)=N1)c1cccc(C=Cc2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN3S/c1-18(9-10-23-17(20)22-18)14-4-2-3-13(11-14)5-7-16-8-6-15(19)12-21-16/h2-8,11-12H,9-10H2,1H3,(H2,20,22) BLLJTLUCMVMYGB-UHFFFAOYSA-N 103394 US8546380, 616::US8633188, 616 Beta-secretase 1 Homo sapiens 5900 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628041 172098685 ZINC96174318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235177 CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cn2)c1 InChI=1S/C19H19ClN4OS/c1-19(9-10-26-18(21)24-19)14-4-2-3-13(11-14)5-8-17(25)23-16-7-6-15(20)12-22-16/h2-8,11-12H,9-10H2,1H3,(H2,21,24)(H,22,23,25) HEBGLNQNACCBPV-UHFFFAOYSA-N 103391 US8546380, 504::US8633188, 504 Beta-secretase 1 Homo sapiens 2500 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627934 172098682 ZINC96174312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235178 CC1(CCSC(N)=N1)c1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1 InChI=1S/C21H19FN4OS/c1-21(10-11-28-20(23)26-21)14-7-8-15(22)18(12-14)25-19(27)17-9-6-13-4-2-3-5-16(13)24-17/h2-9,12H,10-11H2,1H3,(H2,23,26)(H,25,27) FQAMTABCBYLSGA-UHFFFAOYSA-N 103406 US8546380, 799::US8633188, 799 Beta-secretase 1 Homo sapiens 6700 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627127 172098697 ZINC96174340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235179 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cccs2)c1 InChI=1S/C16H16BrN3OS2/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21) ILVSANQLNIXSKF-UHFFFAOYSA-N 103389 US8546380, 490::US8633188, 490 Beta-secretase 1 Homo sapiens 5100 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627005 172098680 ZINC96174308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235180 CC1(CCSC(N)=N1)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F InChI=1S/C20H18F2N4OS/c1-20(6-7-28-19(23)26-20)14-10-13(3-4-15(14)22)24-18(27)17-9-11-8-12(21)2-5-16(11)25-17/h2-5,8-10,25H,6-7H2,1H3,(H2,23,26)(H,24,27) GARAICGSKAAZGK-UHFFFAOYSA-N 103413 US8546380, 972::US8633188, 972 Beta-secretase 1 Homo sapiens 450 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627149 172098704 ZINC96174354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235181 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccccn2)c1 InChI=1S/C17H17BrN4OS/c1-17(5-7-24-16(19)22-17)11-8-12(18)10-13(9-11)21-15(23)14-4-2-3-6-20-14/h2-4,6,8-10H,5,7H2,1H3,(H2,19,22)(H,21,23) VUGVQXNXILELRB-UHFFFAOYSA-N 103422 US8546380, 1160::US8633188, 1160 Beta-secretase 1 Homo sapiens 720 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626976 172098713 ZINC96174372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235182 CC1(CCSC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 InChI=1S/C18H20ClN3S/c1-18(9-10-23-17(20)22-18)14-3-2-4-16(11-14)21-12-13-5-7-15(19)8-6-13/h2-8,11,21H,9-10,12H2,1H3,(H2,20,22) BXFOFZMIFLLOSW-UHFFFAOYSA-N 103403 US8546380, 753::US8633188, 753 Beta-secretase 1 Homo sapiens 5600 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627597 172098694 ZINC96174334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235183 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccco2)c1 InChI=1S/C16H16BrN3O2S/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21) FBNXVLRUPWHORJ-UHFFFAOYSA-N 103404 US8546380, 786::US8633188, 786 Beta-secretase 1 Homo sapiens 156 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627082 172098695 ZINC96174336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235184 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H16BrClN4OS/c1-17(4-5-25-16(20)23-17)10-6-11(18)8-13(7-10)22-15(24)14-3-2-12(19)9-21-14/h2-3,6-9H,4-5H2,1H3,(H2,20,23)(H,22,24) QMKHYSVSHRKRDE-UHFFFAOYSA-N 103377 US8546380, 165::US8633188, 165 Beta-secretase 1 Homo sapiens 39.4 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627758 172098668 ZINC96174284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235185 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccno2)c1 InChI=1S/C15H15BrN4O2S/c1-15(3-5-23-14(17)20-15)9-6-10(16)8-11(7-9)19-13(21)12-2-4-18-22-12/h2,4,6-8H,3,5H2,1H3,(H2,17,20)(H,19,21) YLCKZEZNPMEAHS-UHFFFAOYSA-N 103420 US8546380, 1132::US8633188, 1132 Beta-secretase 1 Homo sapiens 2563 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627216 172098711 ZINC96174368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235186 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2nc3ccccc3s2)c1 InChI=1S/C19H17BrN4OS2/c1-19(6-7-26-18(21)24-19)11-8-12(20)10-13(9-11)22-16(25)17-23-14-4-2-3-5-15(14)27-17/h2-5,8-10H,6-7H2,1H3,(H2,21,24)(H,22,25) BWOLBUZJJOBJKW-UHFFFAOYSA-N 103392 US8546380, 570::US8633188, 570 Beta-secretase 1 Homo sapiens 149 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627734 172098683 ZINC96174314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235187 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cc3ccccc3s2)c1 InChI=1S/C19H22N4O2/c1-12(2)9-19(24)20-16-11-18-17(10-13(16)3)21-23(22-18)14-5-7-15(25-4)8-6-14/h5-8,10-12H,9H2,1-4H3,(H,20,24) SZPGBISEGCWQJW-UHFFFAOYSA-N 34549 US8546380, 1014::US8633188, 1014 Beta-secretase 1 Homo sapiens 165 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627393 249738296 ZINC00316758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235188 Cc1cc(C(=O)Nc2cc(Br)cc(c2)C2(C)CCSC(N)=N2)c(C)o1 InChI=1S/C18H20BrN3O2S/c1-10-6-15(11(2)24-10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23) MTQUNEVSXBMCID-UHFFFAOYSA-N 103387 US8546380, 731::US8633188, 731 Beta-secretase 1 Homo sapiens 278 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627317 172098678 ZINC96174304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235189 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Br)cc2)c1 InChI=1S/C18H17Br2N3OS/c1-18(6-7-25-17(21)23-18)12-8-14(20)10-15(9-12)22-16(24)11-2-4-13(19)5-3-11/h2-5,8-10H,6-7H2,1H3,(H2,21,23)(H,22,24) PHJFZRAUMOGOJZ-UHFFFAOYSA-N 103429 US8546380, 1262::US8633188, 1262 Beta-secretase 1 Homo sapiens 140 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626942 172098720 ZINC96174386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235190 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C(F)(F)F InChI=1S/C13H10FN3S/c14-10-5-2-1-4-9(10)8-18-13-16-11-6-3-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17) ORJUZLVUOWEXML-UHFFFAOYSA-N 34551 US8546380, 964::US8633188, 964 Beta-secretase 1 Homo sapiens 264 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627012 249738297 ZINC13113601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235191 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H19NO3/c1-4-21-15-7-5-6-13(17(15)20)10-18-14-9-11(2)8-12(3)16(14)19/h5-10,18-19H,4H2,1-3H3/b13-10+ MWCUTYXJACUZHF-JLHYYAGUSA-N 34552 US8546380, 793::US8633188, 793 Beta-secretase 1 Homo sapiens 61 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626946 249738298 ZINC13130797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235192 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 InChI=1S/C15H21N3OS/c1-12(19)17-8-10-18(11-9-17)15(20)13-4-6-14(7-5-13)16(2)3/h4-7H,8-11H2,1-3H3 SSDHMSVCFZRGKM-UHFFFAOYSA-N 34553 US8546380, 625::US8633188, 625 Beta-secretase 1 Homo sapiens 1288 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627467 249738299 ZINC04190064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235193 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 InChI=1S/C10H7N3OS3/c15-9-13-12-8(14-9)5-16-10-11-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15) JQUJYSYDBLQZJE-UHFFFAOYSA-N 34558 US8546380, 498::US8633188, 498 Beta-secretase 1 Homo sapiens 930 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626916 249738300 ZINC02481150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235194 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C16H17NO/c1-2-18-16-9-7-15(8-10-16)17-11-13-5-3-4-6-14(13)12-17/h3-10H,2,11-12H2,1H3 ZEASNDNRJFOYFA-UHFFFAOYSA-N 34559 US8546380, 26::US8633188, 26 Beta-secretase 1 Homo sapiens 1977 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627546 249738301 ZINC00439486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235195 COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H14N4OS/c1-25-13-8-6-12(7-9-13)18-14(10-21)19(23)24-16-4-2-3-5-17(16)26-20(24)15(18)11-22/h2-9,18H,23H2,1H3 SAGWJOHJTFYXJF-UHFFFAOYSA-N 34560 US8546380, 465::US8633188, 465 Beta-secretase 1 Homo sapiens 3239 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627935 249738302 ZINC00850184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235196 COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H22BrN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25) QJDYGDJENJQNNN-UHFFFAOYSA-N 35082 US8546380, 1197::US8633188, 1197 Beta-secretase 1 Homo sapiens 912 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627155 249738303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235197 COCc1cc(NC(=O)c2ccc(Cl)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H22ClN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25) FJGZWNVLLFJOIE-UHFFFAOYSA-N 35086 US8546380, 395::US8633188, 395 Beta-secretase 1 Homo sapiens 1500 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35086&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627587 249738304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235198 COCc1cc(NC(=O)c2ccc(F)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H22FN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25) KCEVQICKCKDJAP-UHFFFAOYSA-N 35281 US8546380, 896::US8633188, 896 Beta-secretase 1 Homo sapiens 8497 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627645 249738305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235199 COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C21H22F3N3O2S/c1-20(7-8-30-19(25)27-20)16-9-13(12-29-2)10-17(11-16)26-18(28)14-3-5-15(6-4-14)21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28) LEPVPSRMWGBCJT-UHFFFAOYSA-N 35282 US8546380, 660::US8633188, 660 Beta-secretase 1 Homo sapiens 4586 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627328 249738306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235200 COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C21H22F3N3O3S/c1-20(7-8-31-19(25)27-20)15-9-13(12-29-2)10-16(11-15)26-18(28)14-3-5-17(6-4-14)30-21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28) CWSPCNJAYNLGIT-UHFFFAOYSA-N 35652 US8546380, 664::US8633188, 664 Beta-secretase 1 Homo sapiens 3642 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628054 249738307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235201 COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C28H28N2O7/c1-35-24-14-12-22(13-15-24)27(33)36-19-23(31)17-29-26(32)25(16-20-8-4-2-5-9-20)30-28(34)37-18-21-10-6-3-7-11-21/h2-15,25H,16-19H2,1H3,(H,29,32)(H,30,34) CLDOAGSYVOYMSM-UHFFFAOYSA-N 36326 US8546380, 176::US8633188, 176 Beta-secretase 1 Homo sapiens 1479 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628137 172097659 ZINC62260280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235203 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2nc3ccccc3s2)c1 InChI=1S/C14H14BrN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18) ZLMVXCGWUJXFNP-UHFFFAOYSA-N 36406 US8546380, 912::US8633188, 912 Beta-secretase 1 Homo sapiens 175 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627278 117643992 ZINC08581906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235204 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(F)cn2)c1 InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21) GEZALMMCQYDFML-UHFFFAOYSA-N 36407 US8546380, 212::US8633188, 212 Beta-secretase 1 Homo sapiens 220 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KS5 3EN6 57627305 117643993 ZINC20148983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235205 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccco2)cc(c1)C(F)(F)F InChI=1S/C21H18Cl3F3N4O/c1-20(2,3)16-10-17(29-19(32)28-13-6-4-12(22)5-7-13)31(30-16)18-14(23)8-11(9-15(18)24)21(25,26)27/h4-10H,1-3H3,(H2,28,29,32) XZLKYCWHZQUSFJ-UHFFFAOYSA-N 36451 US8546380, 163::US8633188, 163 Beta-secretase 1 Homo sapiens 2278 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627690 117644037 ZINC45320430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235206 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26) LIIKCMUGEUYUSJ-UHFFFAOYSA-N 36793 US8546380, 1244::US8546380, 1312 Beta-secretase 1 Homo sapiens 130 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59374760 118043360 ZINC70719291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235207 C[C@@H](NC(=O)c1ccc(s1)C1(C)CCSC(N)=N1)c1ccccc1 InChI=1S/C18H21N3OS2/c1-12(13-6-4-3-5-7-13)20-16(22)14-8-9-15(24-14)18(2)10-11-23-17(19)21-18/h3-9,12H,10-11H2,1-2H3,(H2,19,21)(H,20,22)/t12-,18?/m1/s1 ZBRHNTDGQMSNFS-GKOGFXNCSA-N 38209 US8546380, 52::US8633188, 52 Beta-secretase 1 Homo sapiens 10000 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627025 249738308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235208 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cc2)c1 InChI=1S/C18H17BrClN3OS/c1-18(6-7-25-17(21)23-18)12-8-14(20)10-15(9-12)22-16(24)11-2-4-13(19)5-3-11/h2-5,8-10H,6-7H2,1H3,(H2,21,23)(H,22,24) RRGAZBYPOBROOI-UHFFFAOYSA-N 38211 US8546380, 698::US8633188, 698 Beta-secretase 1 Homo sapiens 165 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628077 249738309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235209 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2nc3ccccc3s2)c1 InChI=1S/C19H17ClN4OS2/c1-19(6-7-26-18(21)24-19)11-8-12(20)10-13(9-11)22-16(25)17-23-14-4-2-3-5-15(14)27-17/h2-5,8-10H,6-7H2,1H3,(H2,21,24)(H,22,25) ZVUVZWBZCHXFFC-UHFFFAOYSA-N 38213 US8546380, 96::US8633188, 96 Beta-secretase 1 Homo sapiens 163 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628078 249738310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235210 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccco2)c1 InChI=1S/C16H16ClN3O2S/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21) LGCFSOXQSVXNQA-UHFFFAOYSA-N 38215 US8546380, 822::US8633188, 822 Beta-secretase 1 Homo sapiens 243 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628101 249738311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235211 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H16Cl2N4OS/c1-17(4-5-25-16(20)23-17)10-6-12(19)8-13(7-10)22-15(24)14-3-2-11(18)9-21-14/h2-3,6-9H,4-5H2,1H3,(H2,20,23)(H,22,24) ISFYHTGWOJKTMA-UHFFFAOYSA-N 38216 US8546380, 739::US8633188, 739 Beta-secretase 1 Homo sapiens 49 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627527 249738312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235212 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2cc3ccccc3s2)c1 InChI=1S/C20H18ClN3OS2/c1-20(6-7-26-19(22)24-20)13-9-14(21)11-15(10-13)23-18(25)17-8-12-4-2-3-5-16(12)27-17/h2-5,8-11H,6-7H2,1H3,(H2,22,24)(H,23,25) KDLYSZWBMLLFGW-UHFFFAOYSA-N 38218 US8546380, 832::US8633188, 832 Beta-secretase 1 Homo sapiens 222 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57628025 249738313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235213 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(c1)C(F)(F)F InChI=1S/C19H16F6N4OS/c1-17(4-5-31-16(26)29-17)11-6-12(19(23,24)25)8-13(7-11)28-15(30)14-3-2-10(9-27-14)18(20,21)22/h2-3,6-9H,4-5H2,1H3,(H2,26,29)(H,28,30) PBHKXIPITVBACJ-UHFFFAOYSA-N 103410 US8546380, 897::US8633188, 897 Beta-secretase 1 Homo sapiens 816 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=103410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627255 172098701 ZINC96174348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235214 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23) FSIYTVBWWROBPT-UHFFFAOYSA-N 38220 US8546380, 1100::US8633188, 1100 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SKW 7B1E 57628098 249738315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235215 NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C16H15ClN4OS/c17-11-4-5-14(19-9-11)15(22)20-12-3-1-2-10(8-12)13-6-7-23-16(18)21-13/h1-5,8-9,13H,6-7H2,(H2,18,21)(H,20,22) BDACCOISZGTICY-UHFFFAOYSA-N 38221 US8546380, 740::US8633188, 740 Beta-secretase 1 Homo sapiens 505 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627088 249738316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235216 Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C18H20BrN3O2S/c1-10-6-11(2)24-15(10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23) YBFOOYGOQXCPKH-UHFFFAOYSA-N 38222 US8546380, 436::US8633188, 436 Beta-secretase 1 Homo sapiens 160 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91664030 249738317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235217 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24) VVZZZUNCWSTIOI-UHFFFAOYSA-N 38224 US8546380, 1043::US8633188, 1043 Beta-secretase 1 Homo sapiens 27 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 16058767 249738318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235218 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C17H16Cl2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24) NRRWRNWYWPFBKV-UHFFFAOYSA-N 38226 US8546380, 1199::US8633188, 1199 Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627243 249738319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235219 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(N)=O)c1 InChI=1S/C18H19N5O2S/c1-18(7-8-26-17(20)23-18)12-3-2-4-13(9-12)22-16(25)14-6-5-11(10-21-14)15(19)24/h2-6,9-10H,7-8H2,1H3,(H2,19,24)(H2,20,23)(H,22,25) DIQKWLYXJBCWSP-UHFFFAOYSA-N 38228 US8546380, 73::US8633188, 73 Beta-secretase 1 Homo sapiens 435 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627528 249738320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235220 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C17H16Cl2N4OS/c1-17(5-6-25-16(20)23-17)10-3-2-4-12(7-10)22-15(24)14-13(19)8-11(18)9-21-14/h2-4,7-9H,5-6H2,1H3,(H2,20,23)(H,22,24) AYXQTOHSSLPRLR-UHFFFAOYSA-N 38229 US8546380, 127::US8633188, 127 Beta-secretase 1 Homo sapiens 54 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627447 249738321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235221 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C17H19N5OS/c1-11-9-20-14(10-19-11)15(23)21-13-5-3-4-12(8-13)17(2)6-7-24-16(18)22-17/h3-5,8-10H,6-7H2,1-2H3,(H2,18,22)(H,21,23) LERXARHEQLVFRC-UHFFFAOYSA-N 38230 US8546380, 309::US8633188, 309 Beta-secretase 1 Homo sapiens 833 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627000 249738322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235222 CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H23ClN4O2S/c1-12(2)27-16-9-13(20(3)6-7-28-19(22)25-20)8-15(10-16)24-18(26)17-5-4-14(21)11-23-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,25)(H,24,26) WAKBRVWIQUWQRJ-UHFFFAOYSA-N 38231 US8546380, 1135::US8633188, 1135 Beta-secretase 1 Homo sapiens 2296 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627943 249738323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235223 COc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C18H19ClN4O2S/c1-18(5-6-26-17(20)23-18)11-7-13(9-14(8-11)25-2)22-16(24)15-4-3-12(19)10-21-15/h3-4,7-10H,5-6H2,1-2H3,(H2,20,23)(H,22,24) CGAWUBIEAFQSLM-UHFFFAOYSA-N 38232 US8546380, 1035::US8633188, 1035 Beta-secretase 1 Homo sapiens 174 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57626952 249738324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 235202 COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23) LVOBTCONHRNJJA-UHFFFAOYSA-N 36405 US8546380, 284::US8633188, 284 Beta-secretase 1 Homo sapiens 229 5 30.00 C US Patent 10.7270/Q2FT8JQ0 aid1800321 US8633188 Kobayashi, N; Ueda, K; Itoh, N; Suzuki, S; Sakaguchi, G; Kato, A; Yukimasa, A; Hori, A; Koriyama, Y; Haraguchi, H; Yasui, K; Kanda, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627308 117643991 ZINC08581989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241479 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)/t16-/m0/s1 WQUQHUCOJVZXJC-INIZCTEOSA-N 116227 US10035794, Example 1::US10683287, Example 1::US8637508, 1 Beta-secretase 1 Homo sapiens 390 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356238 199996611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241480 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23) WQUQHUCOJVZXJC-UHFFFAOYSA-N 116228 US10035794, Example 2::US10683287, Example 2::US8637508, 2 Beta-secretase 1 Homo sapiens 790 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57523959 199996612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241481 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 InChI=1S/C16H15ClFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1 CDJHOYHFBRGWII-UHFFFAOYSA-O 116229 US10683287, Example 3::US8637508, 3 Beta-secretase 1 Homo sapiens 2600 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808725 199996613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241482 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H15BrFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1 HBAGGGIQIJILPN-UHFFFAOYSA-O 116230 BDBM279660::US10683287, Example 4::US8637508, 4 Beta-secretase 1 Homo sapiens 1600 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808726 199996614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241483 Cc1cc(cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1)C#N InChI=1S/C18H17FN6O2/c1-11-5-12(6-20)7-22-16(11)17(26)24-15-4-2-3-13(23-15)18(9-19)10-27-8-14(21)25-18/h2-5,7H,8-10H2,1H3,(H2,21,25)(H,23,24,26)/p+1 DQUIQKUFQPXKNE-UHFFFAOYSA-O 116231 BDBM279661::US8637508, 5 Beta-secretase 1 Homo sapiens 270 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808727 199996615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241484 NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1 InChI=1S/C17H17FN6O2S/c18-8-17(9-26-7-13(19)24-17)12-2-1-3-14(22-12)23-16(25)11-5-4-10(6-21-11)15(20)27/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25)/p+1 RWYPCDYBONWERI-UHFFFAOYSA-O 116232 US10683287, Example 7::US8637508, 7 Beta-secretase 1 Homo sapiens 2100 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808728 199996616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241485 Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1 HONUCNWSWWNZSP-RBUKOAKNSA-N 116233 US10035794, Example 8::US10683287, Example 8::US8637508, 8 Beta-secretase 1 Homo sapiens 5 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356349 199996617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241486 C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1 QSCBNUCKFXAIJL-QZTJIDSGSA-N 116234 BDBM279665::US8637508, 9 Beta-secretase 1 Homo sapiens 6200 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355899 199996618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241487 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1 QSCBNUCKFXAIJL-ZWKOTPCHSA-N 116235 US10035794, Example 10::US10683287, Example 10::US8637508, 10 Beta-secretase 1 Homo sapiens 39 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951951 199996619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241488 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 MTNQDQUYJFDVLS-RBUKOAKNSA-N 116236 US10035794, Example 11::US10683287, Example 11::US8637508, 11 Beta-secretase 1 Homo sapiens 4 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356221 199996620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241489 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1 MTNQDQUYJFDVLS-RTBURBONSA-N 116237 US10035794, Example 12::US10683287, Example 12::US8637508, 12 Beta-secretase 1 Homo sapiens 490 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355933 199996621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241490 [NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C16H15ClFN5O2/c17-11-1-2-12(21-6-11)15(24)22-14-5-10(3-4-20-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,20,22,24)/p+1 GPJQSUWRIBDPMP-UHFFFAOYSA-O 116238 BDBM279670::US10683287, Example 14::US8637508, 14 Beta-secretase 1 Homo sapiens 8100 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808729 199996622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241491 Cc1cc(cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1)C(N)=S InChI=1S/C18H19FN6O2S/c1-10-4-11(16(21)28)6-23-15(10)17(26)24-14-5-12(2-3-22-14)18(8-19)9-27-7-13(20)25-18/h2-6H,7-9H2,1H3,(H2,20,25)(H2,21,28)(H,22,24,26)/p+1 OTLWVMHTRDSPSA-UHFFFAOYSA-O 116239 BDBM279671::US8637508, 15 Beta-secretase 1 Homo sapiens 10000 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808730 199996623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241492 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1 VAFUDQUXHDFJQT-RBUKOAKNSA-N 116240 US10035794, Example 16::US10683287, Example 16::US8637508, 16 Beta-secretase 1 Homo sapiens 82 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356350 199996624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241493 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1 VAFUDQUXHDFJQT-RTBURBONSA-N 116241 US10035794, Example 17::US10683287, Example 17::US8637508, 17 Beta-secretase 1 Homo sapiens 7600 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356355 199996625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241494 NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl InChI=1S/C16H14BrClFN5O2/c17-9-1-2-12(21-4-9)15(25)23-10-3-11(14(18)22-5-10)16(7-19)8-26-6-13(20)24-16/h1-5H,6-8H2,(H2,20,24)(H,23,25) IZGSDQIFBJRHBB-UHFFFAOYSA-N 116242 US10683287, Example 18::US8637508, 18 Beta-secretase 1 Homo sapiens 140 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57524139 199996626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241495 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1 QLMSSDKIDFGJDT-ZWKOTPCHSA-N 116243 US10035794, Example 19::US10683287, Example 19::US8637508, 19 Beta-secretase 1 Homo sapiens 43 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355685 199996627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241496 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1 InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1 DPIDWDAWIQYLLV-ZWKOTPCHSA-N 116244 US10035794, Example 20::US10683287, Example 20::US8637508, 20 Beta-secretase 1 Homo sapiens 10 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356253 199996628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241497 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1 InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1 VANDNQQVYPKEOC-DLBZAZTESA-N 116245 US10035794, Example 22::US10683287, Example 22::US8637508, 22 Beta-secretase 1 Homo sapiens 13 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356247 199996629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241498 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)n1 InChI=1S/C19H19F6N7O3/c1-16(7-35-17(2,15(27)32-16)19(23,24)25)9-4-3-5-10(29-9)30-14(33)12-13(26)31-11(6-28-12)34-8-18(20,21)22/h3-6H,7-8H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t16-,17+/m0/s1 FFRBKRVVRVORIQ-DLBZAZTESA-N 116246 US10035794, Example 23::US8637508, 23 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602533 199996630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241499 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 6 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241500 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1 PWIJFDYDPIMSCV-RBUKOAKNSA-N 116248 US10035794, Example 25::US10683287, Example 25::US8637508, 25 Beta-secretase 1 Homo sapiens 93 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356220 199996632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241501 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1 FKENLPZVPNVYQW-DLBZAZTESA-N 116249 US10035794, Example 26::US8637508, 26 Beta-secretase 1 Homo sapiens 400 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602362 199996633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241502 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 MWIIPGZITGHTPU-ZWKOTPCHSA-N 116250 US10035794, Example 27::US10683287, Example 27::US8637508, 27 Beta-secretase 1 Homo sapiens 11 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951901 199996634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241503 C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18-/m1/s1 LHTZVIDMVHFLLF-QZTJIDSGSA-N 116251 US8637508, 28 Beta-secretase 1 Homo sapiens 1100 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355008 199996635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241504 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1 IEGJECJTLOSIQV-RBUKOAKNSA-N 116252 US10035794, Example 29::US10683287, Example 30::US8637508, 29 Beta-secretase 1 Homo sapiens 26 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602949 199996636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241505 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1 DOJQNRYLSRMQDA-ZWKOTPCHSA-N 116253 US10035794, Example 30::US10683287, Example 36::US8637508, 30 Beta-secretase 1 Homo sapiens 25 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951915 199996637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241506 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1 DRKAFGKWERJHKK-DLBZAZTESA-N 116254 US10035794, Example 31::US10683287, Example 31::US8637508, 31 Beta-secretase 1 Homo sapiens 7 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951906 199996638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241507 Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H20F5N5O3/c1-10-6-11(32-9-21)7-27-14(10)16(31)29-13-5-4-12(22)15(28-13)18(2)8-33-19(3,17(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 VZKUTAXMEIXBFQ-RBUKOAKNSA-N 116255 US10035794, Example 32::US10683287, Example 32::US8637508, 32 Beta-secretase 1 Homo sapiens 45 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356240 199996639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241508 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1 QEEWKGAHKUUMAX-DLBZAZTESA-N 116256 US10035794, Example 33::US10683287, Example 33::US8637508, 33 Beta-secretase 1 Homo sapiens 820 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356222 199996640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241509 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 PSBBWFNMHDUTRH-DLBZAZTESA-N 116257 US10035794, Example 34::US10683287, Example 34::US8637508, 34 Beta-secretase 1 Homo sapiens 7 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUH 6EQM 88602735 199996641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241510 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ncc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)10-4-13(27-7-12(10)21)29-15(31)14-11(20)3-9(5-25)6-28-14/h3-4,6-7H,8H2,1-2H3,(H2,26,30)(H,27,29,31)/t17-,18+/m0/s1 RPVSVZJNXFHPNA-ZWKOTPCHSA-N 116258 US10035794, Example 35::US8637508, 35 Beta-secretase 1 Homo sapiens 150 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356241 199996642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241511 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ncc1F InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)9-4-12(28-6-11(9)21)30-14(32)13-10(20)3-8(5-29-13)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,28,30,32)/t17-,18+/m0/s1 QONFJNGJOVKPCS-ZWKOTPCHSA-N 116259 US10035794, Example 36::US8637508, 36 Beta-secretase 1 Homo sapiens 410 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602761 199996643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241512 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C20H19F3N6O2/c1-11-3-12(5-24)6-27-16(11)17(30)28-15-4-13(14(23)7-26-15)19(2)10-31-20(8-21,9-22)18(25)29-19/h3-4,6-7H,8-10H2,1-2H3,(H2,25,29)(H,26,28,30)/t19-/m0/s1 ZDOMSYMJUOFARG-IBGZPJMESA-N 116260 US10035794, Example 37::US10683287, Example 37::US8637508, 37 Beta-secretase 1 Homo sapiens 380 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70351283 199996644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241513 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m0/s1 GIKOSRRRDYUWLE-SFHVURJKSA-N 116261 US10035794, Example 38::US10683287, Example 38::US8637508, 38 Beta-secretase 1 Homo sapiens 33 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355171 199996645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241514 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m1/s1 GIKOSRRRDYUWLE-GOSISDBHSA-N 116262 US10035794, Example 39::US10683287, Example 39::US8637508, 39 Beta-secretase 1 Homo sapiens 1500 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356010 199996646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241515 NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1 LVXIXHYWPFXDKS-KRWDZBQOSA-N 116263 US10035794, Example 40::US10683287, Example 40::US8637508, 40 Beta-secretase 1 Homo sapiens 42 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356242 199996647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241516 Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H20F4N6O2/c1-9-7-25-13(10(2)26-9)15(30)28-12-6-5-11(20)14(27-12)17(3)8-31-18(4,16(24)29-17)19(21,22)23/h5-7H,8H2,1-4H3,(H2,24,29)(H,27,28,30)/t17-,18+/m0/s1 NHQMQCNPITZLAA-ZWKOTPCHSA-N 116264 US10035794, Example 41::US10683287, Example 41::US8637508, 41 Beta-secretase 1 Homo sapiens 230 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951896 199996648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241517 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F InChI=1S/C20H22F5N7O3/c1-18(9-35-19(2,17(27)32-18)20(23,24)25)14-10(22)4-5-11(29-14)30-16(33)13-15(26)31-12(8-28-13)34-7-3-6-21/h4-5,8H,3,6-7,9H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t18-,19+/m0/s1 JKHHBPZBBWGXHT-RBUKOAKNSA-N 116265 US10035794, Example 42::US10683287, Example 42::US8637508, 42 Beta-secretase 1 Homo sapiens 200 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356059 199996649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241518 COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12 InChI=1S/C22H24F4N8O3/c1-20(10-37-21(2,19(28)33-20)22(24,25)26)15-11(23)4-5-13(30-15)31-18(35)14-16(27)32-17-12(29-14)6-7-34(17)8-9-36-3/h4-7H,8-10H2,1-3H3,(H2,27,32)(H2,28,33)(H,30,31,35)/t20-,21+/m0/s1 MMFYRHYCSIOPDG-LEWJYISDSA-N 116266 US10035794, Example 43::US10683287, Example 43::US8637508, 43 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355173 199996650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241519 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1 HUQALVJHHCENTE-JKSUJKDBSA-N 116267 US10035794, Example 44::US10683287, Example 44::US8637508, 44 Beta-secretase 1 Homo sapiens 40 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951897 199996651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241520 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3nc2N)ccc1F InChI=1S/C21H20F6N8O2/c1-19(8-37-20(2,18(29)34-19)21(25,26)27)14-9(22)3-4-12(31-14)32-17(36)13-15(28)33-16-10(30-13)5-6-35(16)7-11(23)24/h3-6,11H,7-8H2,1-2H3,(H2,28,33)(H2,29,34)(H,31,32,36)/t19-,20+/m0/s1 WBCXJAZBPSKARJ-VQTJNVASSA-N 116268 US10035794, Example 45::US8637508, 45 Beta-secretase 1 Homo sapiens 10000 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602589 199996652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241521 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H15ClF6N6O2/c1-15(6-32-16(2,13(25)28-15)17(22,23)24)11-8(19)3-4-9(26-11)27-12(31)10-7(18)5-30(29-10)14(20)21/h3-5,14H,6H2,1-2H3,(H2,25,28)(H,26,27,31)/t15-,16+/m0/s1 UYFPRMQOSKPOQR-JKSUJKDBSA-N 116269 US10035794, Example 46::US8637508, 46 Beta-secretase 1 Homo sapiens 10 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602590 199996653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241522 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3cc2Cl)ccc1F InChI=1S/C22H19ClF6N6O2/c1-20(9-37-21(2,19(30)34-20)22(27,28)29)17-11(24)3-4-15(32-17)33-18(36)16-10(23)7-13-12(31-16)5-6-35(13)8-14(25)26/h3-7,14H,8-9H2,1-2H3,(H2,30,34)(H,32,33,36)/t20-,21+/m0/s1 KKRXTJDWKWWIKU-LEWJYISDSA-N 116270 US10035794, Example 47::US8637508, 47 Beta-secretase 1 Homo sapiens 10000 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602591 199996654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241523 COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12 InChI=1S/C23H23ClF4N6O3/c1-21(11-37-22(2,20(29)33-21)23(26,27)28)18-13(25)4-5-16(31-18)32-19(35)17-12(24)10-15-14(30-17)6-7-34(15)8-9-36-3/h4-7,10H,8-9,11H2,1-3H3,(H2,29,33)(H,31,32,35)/t21-,22+/m0/s1 LUTGKRKBQRZCOA-FCHUYYIVSA-N 116271 US10035794, Example 48::US8637508, 48 Beta-secretase 1 Homo sapiens 7300 4.5 25.00 C US Patent 10.7270/Q2JD4VFD aid1800345 US8637508 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356243 199996655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241569 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 InChI=1S/C21H25N5O2S/c1-28-18-12-23-17(11-24-18)19(27)25-16-9-5-8-15(10-16)21(13-29-20(22)26-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,26)(H,25,27) NPHZTQGJWPDARN-UHFFFAOYSA-N 116272 US8637504, 2::US9273053, 2::US9650371, 2 Beta-secretase 1 Homo sapiens 514 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547550 199996656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241570 NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27) NMQIAWGHGQYFFH-UHFFFAOYSA-N 116273 US8637504, 3::US9273053, 3::US9650371, 3 Beta-secretase 1 Homo sapiens 966 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242152 199996657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241571 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 PRRHDZGJWFVLLQ-KRWDZBQOSA-N 116274 US8637504, 16::US9270353, 16::US9650371, 16 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44596001 199996658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241572 CC(C)=C1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C20H22FN5OS/c1-11(2)17-8-20(4,26-19(22)28-17)14-7-13(5-6-15(14)21)25-18(27)16-10-23-12(3)9-24-16/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1 CZUZBVXITXQFIC-FQEVSTJZSA-N 116275 US8637504, 20::US9273053, 20 Beta-secretase 1 Homo sapiens 95 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547703 199996659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241573 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(SC(N)=N1)=C(C)C InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1 KGOHZCKUSDEIQA-FQEVSTJZSA-N 116276 US8637504, 21::US9273053, 21 Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547704 199996660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241574 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 TZBBBHJEGUZHNW-SFHVURJKSA-N 116277 US8637504, 22::US9273053, 22::US9650371, 22 Beta-secretase 1 Homo sapiens 572 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254164 199996661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241575 CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C18H18FN5OS/c1-10-9-26-17(20)24-18(10,3)13-6-12(4-5-14(13)19)23-16(25)15-8-21-11(2)7-22-15/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 BENXRHGKKPMPCO-SFHVURJKSA-N 116278 US8637504, 23::US9273053, 23::US9650371, 23 Beta-secretase 1 Homo sapiens 5280 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254165 199996662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241576 CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H18FN5O2S/c1-4-7-28-17-10-23-16(9-24-17)18(27)25-13-5-6-15(21)14(8-13)20(3)12(2)11-29-19(22)26-20/h1,5-6,8-11H,7H2,2-3H3,(H2,22,26)(H,25,27)/t20-/m0/s1 IVWWVVVKPGCOOY-FQEVSTJZSA-N 116279 US8637504, 24::US9273053, 24::US9650371, 24 Beta-secretase 1 Homo sapiens 54 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951055 199996663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241577 COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C20H21FN4O3S/c1-20(7-10-29-19(22)25-20)15-11-13(3-5-16(15)21)24-18(26)17-6-4-14(12-23-17)28-9-8-27-2/h3-7,10-12H,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t20-/m0/s1 YJZQEEVMBLREDL-FQEVSTJZSA-N 116280 US8637504, 33::US9273053, 33 Beta-secretase 1 Homo sapiens 73 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254144 199996664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241578 Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)n1 InChI=1S/C17H18FN5OS/c1-10-8-14(23(3)22-10)15(24)20-11-4-5-13(18)12(9-11)17(2)6-7-25-16(19)21-17/h4-9H,1-3H3,(H2,19,21)(H,20,24)/t17-/m0/s1 APOPWCCKNBZDGX-KRWDZBQOSA-N 116281 US8637504, 35::US9650371, 35 Beta-secretase 1 Homo sapiens 96 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547854 199996665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241579 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ncco2)ccc1F InChI=1S/C19H15FN6O2S/c1-19(4-7-29-18(21)26-19)12-8-11(2-3-13(12)20)25-16(27)14-9-24-15(10-23-14)17-22-5-6-28-17/h2-10H,1H3,(H2,21,26)(H,25,27)/t19-/m0/s1 JJCQQVUBZIXYGN-IBGZPJMESA-N 116282 US8637504, 38::US9273053, 38::US9650371, 38 Beta-secretase 1 Homo sapiens 304 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254145 199996666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241580 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)-c2ccc[nH]2)ccc1F InChI=1S/C21H18FN5OS/c1-21(8-10-29-20(23)27-21)15-11-14(5-6-16(15)22)26-19(28)18-7-4-13(12-25-18)17-3-2-9-24-17/h2-12,24H,1H3,(H2,23,27)(H,26,28)/t21-/m0/s1 YZPGFBRFPHAZQQ-NRFANRHFSA-N 116283 US8637504, 39::US9273053, 39::US9650371, 39 Beta-secretase 1 Homo sapiens 97 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254040 199996667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241581 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F InChI=1S/C17H16F3N5OS/c1-10-8-23-13(9-22-10)14(26)24-12-4-2-3-11(7-12)16(17(18,19)20)5-6-27-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26) WZPFEWICESTLJD-UHFFFAOYSA-N 116284 US8637504, 44::US9273053, 44::US9650371, 44 Beta-secretase 1 Homo sapiens 2130 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254167 199996668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241582 NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28) VMTMMFRWDONPDM-UHFFFAOYSA-N 116285 US8637504, 46::US9273053, 46::US9650371, 46 Beta-secretase 1 Homo sapiens 611 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909985 199996669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241583 NC1=NC(CCS1)(c1cccc(NC(=O)c2ccc(cn2)C#N)c1)C(F)(F)F InChI=1S/C18H14F3N5OS/c1-23-13-5-6-14(24-10-13)15(27)25-12-4-2-3-11(9-12)17(18(19,20)21)7-8-28-16(22)26-17/h2-6,9-10H,7-8H2,(H2,22,26)(H,25,27) KXLMJYJOQPBSOB-UHFFFAOYSA-N 116286 US8637504, 47::US9273053, 47::US9650371, 47 Beta-secretase 1 Homo sapiens 91 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254041 199996670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241584 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F InChI=1S/C17H16F3N5O2S/c1-27-13-9-22-12(8-23-13)14(26)24-11-4-2-3-10(7-11)16(17(18,19)20)5-6-28-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26) PGXPQOXTAQHLQV-UHFFFAOYSA-N 116287 US8637504, 48::US9273053, 48::US9650371, 48 Beta-secretase 1 Homo sapiens 273 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254146 199996671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241585 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-6,8-9H,1,7H2,2-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 RIMDLOYRRDVOKF-SFHVURJKSA-N 116288 US8637504, 51::US9273053, 51::US9650371, 51 Beta-secretase 1 Homo sapiens 16 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254147 199996672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241586 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H18FN5OS/c1-10-8-22-15(9-21-10)16(25)23-12-4-5-14(19)13(6-12)18(3)7-11(2)26-17(20)24-18/h4-6,8-9H,2,7H2,1,3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 QZQWHMZFYGSGBR-SFHVURJKSA-N 116289 US8637504, 53::US9273053, 53::US9650371, 53 Beta-secretase 1 Homo sapiens 76 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254148 199996673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241587 NC1=NC(CS1)(c1cccc(F)c1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C21H15Cl2FN4OS/c22-14-9-17(23)18(26-10-14)19(29)27-16-6-2-4-13(8-16)21(11-30-20(25)28-21)12-3-1-5-15(24)7-12/h1-10H,11H2,(H2,25,28)(H,27,29) ZIESMOMMMSUWDL-UHFFFAOYSA-N 116290 US8637504, 56::US9273053, 56::US9650371, 56 Beta-secretase 1 Homo sapiens 352 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254170 199996674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241588 COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30) LYIXHSBICKAVDY-UHFFFAOYSA-N 116291 US8637504, 58::US9273053, 58::US9650371, 58 Beta-secretase 1 Homo sapiens 186 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254149 199996675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241589 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 IFZDIAKAFRXVOQ-SFHVURJKSA-N 116292 US8637504, 59::US9273053, 59::US9650371, 59 Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254150 199996676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241590 Cn1ccnc1COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C21H20FN7O2S/c1-21(5-8-32-20(23)28-21)14-9-13(3-4-15(14)22)27-19(30)16-10-26-18(11-25-16)31-12-17-24-6-7-29(17)2/h3-11H,12H2,1-2H3,(H2,23,28)(H,27,30)/t21-/m0/s1 KEKPFHZBWJUZPV-NRFANRHFSA-N 116293 US8637504, 60::US9273053, 60::US9650371, 60 Beta-secretase 1 Homo sapiens 243 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254076 199996677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241591 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1 AEAGJGOSNUCBGG-FQEVSTJZSA-N 116294 US8637504, 61::US9273053, 61::US9650371, 61 Beta-secretase 1 Homo sapiens 169 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254195 199996678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241592 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cc3NCCn3n2)ccc1F InChI=1S/C17H17FN6OS/c1-17(4-7-26-16(19)22-17)11-8-10(2-3-12(11)18)21-15(25)13-9-14-20-5-6-24(14)23-13/h2-4,7-9,20H,5-6H2,1H3,(H2,19,22)(H,21,25)/t17-/m0/s1 JGSHZHANJDWJJX-KRWDZBQOSA-N 116295 US8637504, 63::US9273053, 63::US9650371, 63 Beta-secretase 1 Homo sapiens 435 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254152 199996679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241593 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(NS(C)(=O)=O)cn2)ccc1F InChI=1S/C17H17FN6O3S2/c1-17(5-6-28-16(19)23-17)11-7-10(3-4-12(11)18)22-15(25)13-8-21-14(9-20-13)24-29(2,26)27/h3-9H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1 JDRDVXZQWKELNV-KRWDZBQOSA-N 116296 US8637504, 66::US9273053, 66::US9650371, 66 Beta-secretase 1 Homo sapiens 296 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242164 199996680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241594 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-5-29-17(20)26-18)12-6-11(2-3-13(12)19)25-16(28)14-7-23-15(8-22-14)27-10-21-9-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1 GGYSKNPJTWNUPH-SFHVURJKSA-N 116297 US8637504, 70::US9273053, 70::US9650371, 70 Beta-secretase 1 Homo sapiens 36 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254083 199996681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241595 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2ccnn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)25-18)12-8-11(2-3-13(12)19)24-16(28)14-9-22-15(10-21-14)27-6-5-23-26-27/h2-10H,1H3,(H2,20,25)(H,24,28)/t18-/m0/s1 XBSFBXNLSIOBOR-SFHVURJKSA-N 116298 US8637504, 72::US9273053, 72::US9650371, 72 Beta-secretase 1 Homo sapiens 250 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254082 199996682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241596 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2nccn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1 OYPUAKBOHVWSIH-SFHVURJKSA-N 116299 US8637504, 73::US9273053, 73::US9650371, 73 Beta-secretase 1 Homo sapiens 234 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242162 199996683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241597 Cc1ncnn1-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C19H17FN8OS/c1-11-24-10-25-28(11)16-9-22-15(8-23-16)17(29)26-12-3-4-14(20)13(7-12)19(2)5-6-30-18(21)27-19/h3-10H,1-2H3,(H2,21,27)(H,26,29)/t19-/m0/s1 BWSDBMKPTXUZJP-IBGZPJMESA-N 116300 US8637504, 75::US9273053, 75::US9650371, 75 Beta-secretase 1 Homo sapiens 697 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254154 199996684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241598 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 ILCHBMXUEANZSX-KRWDZBQOSA-N 116301 US8637504, 76::US9273053, 76::US9650371, 76 Beta-secretase 1 Homo sapiens 62 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242161 199996685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241599 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C16H13BrFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1 ANZUTVZXPALJDX-INIZCTEOSA-N 116302 US8637504, 79::US9273053, 79::US9650371, 79 Beta-secretase 1 Homo sapiens 24 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254173 199996686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241600 Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C21H17BrFN3O2S/c1-11-14-9-12(22)3-6-17(14)28-18(11)19(27)25-13-4-5-16(23)15(10-13)21(2)7-8-29-20(24)26-21/h3-10H,1-2H3,(H2,24,26)(H,25,27)/t21-/m0/s1 RLQSWFVHIPUBCP-NRFANRHFSA-N 116303 US8637504, 81::US9273053, 81::US9650371, 81 Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242155 199996687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241601 COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1 KBLRXJDAJAZTFG-KRWDZBQOSA-N 116304 US8637504, 99::US9273053, 99::US9650371, 99 Beta-secretase 1 Homo sapiens 14 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909950 199996688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241602 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)cnc1Cl InChI=1S/C18H14ClFN6OS/c1-9-5-18(2,26-17(22)28-9)12-4-11(8-24-15(12)19)25-16(27)14-13(20)3-10(6-21)7-23-14/h3-4,7-8H,1,5H2,2H3,(H2,22,26)(H,25,27)/t18-/m0/s1 VTSKAWNFIRGNOY-SFHVURJKSA-N 116305 US8637504, 101::US9273053, 101::US9650371, 101 Beta-secretase 1 Homo sapiens 22 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909929 199996689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241603 COc1cnc(cn1)C(=O)Nc1cnc(C)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H20N6O2S/c1-10-6-18(3,24-17(19)27-10)13-5-12(7-20-11(13)2)23-16(25)14-8-22-15(26-4)9-21-14/h5,7-9H,1,6H2,2-4H3,(H2,19,24)(H,23,25)/t18-/m0/s1 SDVUYBMJJJOPKG-SFHVURJKSA-N 116306 US8637504, 102::US9273053, 102::US9650371, 102 Beta-secretase 1 Homo sapiens 36 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254178 199996690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241604 COc1cnc(cn1)C(=O)Nc1cncc(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C17H18N6O2S/c1-10-5-17(2,23-16(18)26-10)11-4-12(7-19-6-11)22-15(24)13-8-21-14(25-3)9-20-13/h4,6-9H,1,5H2,2-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1 FWRHQSSBQXQXID-KRWDZBQOSA-N 116307 US8637504, 104::US9273053, 104::US9650371, 104 Beta-secretase 1 Homo sapiens 63 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254052 199996691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 241605 C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 InChI=1S/C18H15ClF3N5OS/c1-9-5-17(2,27-16(23)29-9)10-3-12(8-24-6-10)26-15(28)14-13(19)4-11(7-25-14)18(20,21)22/h3-4,6-8H,1,5H2,2H3,(H2,23,27)(H,26,28)/t17-/m0/s1 ZKSRTQXOCWHFTK-KRWDZBQOSA-N 116308 US8637504, 106::US9273053, 106::US9650371, 106 Beta-secretase 1 Homo sapiens 102 5 30.00 C US Patent 10.7270/Q2DN43Q2 aid1800347 US8637504 Hori, A; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254202 199996692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248241 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C1NCCN(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H43N5O6S/c1-26(29-17-11-6-12-18-29)40-36(45)30-22-31(24-32(23-30)42(2)50(3,48)49)37(46)41-33(21-27-13-7-4-8-14-27)35(44)34-38(47)43(20-19-39-34)25-28-15-9-5-10-16-28/h4-18,22-24,26,33-35,39,44H,19-21,25H2,1-3H3,(H,40,45)(H,41,46)/t26-,33+,34?,35+/m1/s1 XFQJUBHCQDVLTG-ZZILEJTHSA-N 120264 US8703947, 10 Beta-secretase 1 Homo sapiens <10000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68256745 220231058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248242 CN(Cc1csc(C)n1)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C1NCCN(Cc2ccccc2)C1=O InChI=1S/C34H37N5O4S/c1-23-36-28(22-44-23)21-38(2)33(42)27-15-9-14-26(19-27)32(41)37-29(18-24-10-5-3-6-11-24)31(40)30-34(43)39(17-16-35-30)20-25-12-7-4-8-13-25/h3-15,19,22,29-31,35,40H,16-18,20-21H2,1-2H3,(H,37,41)/t29-,30?,31-/m0/s1 JCNCCHUDAASMSY-GAVYTZHXSA-N 120265 US8703947, 11a::US8703947, 11b Beta-secretase 1 Homo sapiens <1000 <10000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45137012 220231059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248243 CN(Cc1csc(C)n1)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C1NCCN(Cc2ccccc2)C1=O InChI=1S/C34H37N5O4S/c1-23-36-28(22-44-23)21-38(2)33(42)27-15-9-14-26(19-27)32(41)37-29(18-24-10-5-3-6-11-24)31(40)30-34(43)39(17-16-35-30)20-25-12-7-4-8-13-25/h3-15,19,22,29-31,35,40H,16-18,20-21H2,1-2H3,(H,37,41)/t29-,30?,31-/m0/s1 JCNCCHUDAASMSY-GAVYTZHXSA-N 120265 US8703947, 11a::US8703947, 11b Beta-secretase 1 Homo sapiens >10000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45137012 220231059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248244 COc1cccc(C[C@@H]2CC[C@@H](N2)[C@@H](O)CNC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C32H40N4O6S/c1-21(23-10-6-5-7-11-23)34-32(39)25-17-24(18-27(19-25)36(2)43(4,40)41)31(38)33-20-30(37)29-14-13-26(35-29)15-22-9-8-12-28(16-22)42-3/h5-12,16-19,21,26,29-30,35,37H,13-15,20H2,1-4H3,(H,33,38)(H,34,39)/t21-,26+,29-,30+/m1/s1 SVEAFVVOJHTSHZ-VYIBGDTDSA-N 120267 US8703947, Comparison compound B Beta-secretase 1 Homo sapiens >10000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206838 220231061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248245 Cc1csc(n1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C36H39N5O4S/c1-24-23-46-34(38-24)30-16-9-18-41(30)35(44)28-15-8-14-27(21-28)33(43)39-29(20-25-10-4-2-5-11-25)32(42)31-36(45)40(19-17-37-31)22-26-12-6-3-7-13-26/h2-8,10-15,21,23,29-32,37,42H,9,16-20,22H2,1H3,(H,39,43)/t29-,30+,31-,32-/m0/s1 VEJXOSJCHPXZKM-RACKDBBVSA-N 120268 US8703947, GRL- 0299 Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973149 220231062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248246 CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(c2)C(=O)N2CCC[C@@H]2c2nc(C)cs2)C1=O InChI=1S/C33H41N5O4S/c1-21(2)19-37-16-14-34-28(33(37)42)29(39)26(17-23-9-5-4-6-10-23)36-30(40)24-11-7-12-25(18-24)32(41)38-15-8-13-27(38)31-35-22(3)20-43-31/h4-7,9-12,18,20-21,26-29,34,39H,8,13-17,19H2,1-3H3,(H,36,40)/t26-,27+,28-,29-/m0/s1 WWXOTKXDYPYKEZ-CRNKYVSFSA-N 120270 US8703947, GRL- 0669AL Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206841 220231064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248247 COc1ccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cccc(c3)C(=O)N3CCC[C@@H]3c3nc(C)cs3)C2=O)cc1 InChI=1S/C37H41N5O5S/c1-24-23-48-35(39-24)31-12-7-18-42(31)36(45)28-11-6-10-27(21-28)34(44)40-30(20-25-8-4-3-5-9-25)33(43)32-37(46)41(19-17-38-32)22-26-13-15-29(47-2)16-14-26/h3-6,8-11,13-16,21,23,30-33,38,43H,7,12,17-20,22H2,1-2H3,(H,40,44)/t30-,31+,32-,33-/m0/s1 NIXNYZQIKZUVFK-YGXYGYJOSA-N 120271 US8703947, GRL- 0819AL Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46201945 220231065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248248 CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C1=O InChI=1S/C35H45N5O6S/c1-23(2)22-40-17-16-36-31(35(40)44)32(41)30(18-25-12-8-6-9-13-25)38-34(43)28-19-27(20-29(21-28)39(4)47(5,45)46)33(42)37-24(3)26-14-10-7-11-15-26/h6-15,19-21,23-24,30-32,36,41H,16-18,22H2,1-5H3,(H,37,42)(H,38,43)/t24-,30+,31+,32+/m1/s1 XVHBFKBJMOUAGF-GCJCAGDSSA-N 120272 US8703947, GRL- 0849AL Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973151 220231066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248249 COc1ccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C)c3ccccc3)N(C)S(C)(=O)=O)C2=O)cc1 InChI=1S/C39H45N5O7S/c1-26(29-13-9-6-10-14-29)41-37(46)30-22-31(24-32(23-30)43(2)52(4,49)50)38(47)42-34(21-27-11-7-5-8-12-27)36(45)35-39(48)44(20-19-40-35)25-28-15-17-33(51-3)18-16-28/h5-18,22-24,26,34-36,40,45H,19-21,25H2,1-4H3,(H,41,46)(H,42,47)/t26-,34+,35+,36+/m1/s1 LAYJOTDSIADFSB-FBCAFTLCSA-N 120273 US8703947, GRL- 0889AL Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973152 220231067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248250 COc1cccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cccc(c3)C(=O)N3CCC[C@@H]3c3nc(C)cs3)C2=O)c1 InChI=1S/C37H41N5O5S/c1-24-23-48-35(39-24)31-15-8-17-42(31)36(45)28-13-7-12-27(21-28)34(44)40-30(20-25-9-4-3-5-10-25)33(43)32-37(46)41(18-16-38-32)22-26-11-6-14-29(19-26)47-2/h3-7,9-14,19,21,23,30-33,38,43H,8,15-18,20,22H2,1-2H3,(H,40,44)/t30-,31+,32-,33-/m0/s1 BVDPRXPLKWPERI-YGXYGYJOSA-N 120275 US8703947, GRL- 1069AL Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973153 220231069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248251 COc1cccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C)c3ccccc3)N(C)S(C)(=O)=O)C2=O)c1 InChI=1S/C39H45N5O7S/c1-26(29-15-9-6-10-16-29)41-37(46)30-22-31(24-32(23-30)43(2)52(4,49)50)38(47)42-34(21-27-12-7-5-8-13-27)36(45)35-39(48)44(19-18-40-35)25-28-14-11-17-33(20-28)51-3/h5-17,20,22-24,26,34-36,40,45H,18-19,21,25H2,1-4H3,(H,41,46)(H,42,47)/t26-,34+,35+,36+/m1/s1 LXVLCSGCXPGNLZ-FBCAFTLCSA-N 120276 US8703947, GRL- 1079AL Beta-secretase 1 Homo sapiens <1000 4 37.00 C US Patent 10.7270/Q2154FQZ aid1800424 US8703947 Ghosh, AK Purdue Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68256748 220231070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248402 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C20H24N6O4/c1-20(10-17(27)26(2)19(21)25-20)13-5-4-6-14(9-13)24-18(28)15-11-23-16(12-22-15)30-8-7-29-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H2,21,25)(H,24,28) NAJNDLWHMNSIOI-UHFFFAOYSA-N 120377 US8703785, 40 Beta-secretase 1 Homo sapiens 14 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70234615 220231171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248403 CN1C(=O)CC(C)(N=C1N)c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 InChI=1S/C20H20N6O3/c1-4-8-29-16-12-22-15(11-23-16)18(28)24-14-7-5-6-13(9-14)20(2)10-17(27)26(3)19(21)25-20/h1,5-7,9,11-12H,8,10H2,2-3H3,(H2,21,25)(H,24,28) BZORNRLJYSMPOP-UHFFFAOYSA-N 120378 US8703785, 43 Beta-secretase 1 Homo sapiens 56 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973154 220231172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248404 CC#CCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C21H22N6O3/c1-4-5-9-30-17-13-23-16(12-24-17)19(29)25-15-8-6-7-14(10-15)21(2)11-18(28)27(3)20(22)26-21/h6-8,10,12-13H,9,11H2,1-3H3,(H2,22,26)(H,25,29) RAZCVUGUPNQOCM-UHFFFAOYSA-N 120379 US8703785, 44 Beta-secretase 1 Homo sapiens 12 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46191780 220231173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248405 CN1C(=O)CC(C)(N=C1N)c1cccc(NC(=O)c2cnc(Cl)cn2)c1 InChI=1S/C17H17ClN6O2/c1-17(7-14(25)24(2)16(19)23-17)10-4-3-5-11(6-10)22-15(26)12-8-21-13(18)9-20-12/h3-6,8-9H,7H2,1-2H3,(H2,19,23)(H,22,26) WHPXSUXTRBXIHO-UHFFFAOYSA-N 120380 US8703785, 34 Beta-secretase 1 Homo sapiens 37 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75288508 220231174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248406 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H20N6O3/c1-18(8-15(25)24(2)17(19)23-18)11-5-4-6-12(7-11)22-16(26)13-9-21-14(27-3)10-20-13/h4-7,9-10H,8H2,1-3H3,(H2,19,23)(H,22,26) BLFCZMABWGILKE-UHFFFAOYSA-N 120381 US8703785, 35 Beta-secretase 1 Homo sapiens 42 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45380935 220231175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248407 COc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1 InChI=1S/C18H18N6O2/c1-26-16-11-22-15(10-23-16)18(25)24-13-5-2-4-12(8-13)9-21-14-6-3-7-20-17(14)19/h2-8,10-11,21H,9H2,1H3,(H2,19,20)(H,24,25) VOGMQIUOXSCWIG-UHFFFAOYSA-N 120382 US8703785, 473 Beta-secretase 1 Homo sapiens 1985 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70234054 220231176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248408 COCCOc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1 InChI=1S/C20H22N6O3/c1-28-8-9-29-18-13-24-17(12-25-18)20(27)26-15-5-2-4-14(10-15)11-23-16-6-3-7-22-19(16)21/h2-7,10,12-13,23H,8-9,11H2,1H3,(H2,21,22)(H,26,27) GXWIPFVJHSXRGD-UHFFFAOYSA-N 120383 US8703785, 478 Beta-secretase 1 Homo sapiens 3176 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70233718 220231177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248409 Nc1ncccc1NCc1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 InChI=1S/C20H18N6O2/c1-2-9-28-18-13-24-17(12-25-18)20(27)26-15-6-3-5-14(10-15)11-23-16-7-4-8-22-19(16)21/h1,3-8,10,12-13,23H,9,11H2,(H2,21,22)(H,26,27) GDAPCOAWIWVVSW-UHFFFAOYSA-N 120384 US8703785, 481 Beta-secretase 1 Homo sapiens 180 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973155 220231178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 248410 CC#CCOc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1 InChI=1S/C21H20N6O2/c1-2-3-10-29-19-14-25-18(13-26-19)21(28)27-16-7-4-6-15(11-16)12-24-17-8-5-9-23-20(17)22/h4-9,11,13-14,24H,10,12H2,1H3,(H2,22,23)(H,27,28) YSWDNAPAEVGGIX-UHFFFAOYSA-N 120385 US8703785, 482 Beta-secretase 1 Homo sapiens 73 7 30.00 C US Patent 10.7270/Q2MW2FSM aid1800427 US8703785 Yonezawa, S; Kooriyama, Y; Sakaguchi, G Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70233596 220231179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252922 C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F InChI=1S/C20H21ClF2N4O/c1-20(17(23)9-28-10-18(24)27-20)14-7-13(3-4-15(14)22)26-16-5-2-11-6-12(21)8-25-19(11)16/h3-4,6-8,16-17,26H,2,5,9-10H2,1H3,(H2,24,27)/t16?,17-,20+/m0/s1 LLVAUXCCVYNQFH-KKOVZHJLSA-N 123857 US8748418, 1 Beta-secretase 1 Homo sapiens 70 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547140 225150263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252923 C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H18ClF4N5O/c1-17(14(20)7-28-8-15(23)25-17)10-4-9(2-3-12(10)19)24-5-13-11(18)6-27(26-13)16(21)22/h2-4,6,14,16,24H,5,7-8H2,1H3,(H2,23,25)/t14-,17+/m0/s1 RZXYOIJGPYTNGY-WMLDXEAASA-N 123858 US8748418, 2 Beta-secretase 1 Homo sapiens 40 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547141 225150264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252924 C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOC2)ccc1F InChI=1S/C16H21F2N3O2/c1-16(14(18)8-23-9-15(19)21-16)12-6-10(2-3-13(12)17)20-11-4-5-22-7-11/h2-3,6,11,14,20H,4-5,7-9H2,1H3,(H2,19,21)/t11?,14-,16+/m0/s1 UPNYTQSKKDHJPL-TWZNPMNKSA-N 123859 US8748418, 3 Beta-secretase 1 Homo sapiens 580 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547142 225150265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252925 C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCCOC2)ccc1F InChI=1S/C17H23F2N3O2/c1-17(15(19)9-24-10-16(20)22-17)13-7-11(4-5-14(13)18)21-12-3-2-6-23-8-12/h4-5,7,12,15,21H,2-3,6,8-10H2,1H3,(H2,20,22)/t12?,15-,17+/m0/s1 JPKWXEFYYHRRRJ-BRCNOLGNSA-N 123860 US8748418, 4 Beta-secretase 1 Homo sapiens 400 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547315 225150266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252926 C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOCC2)ccc1F InChI=1S/C17H23F2N3O2/c1-17(15(19)9-24-10-16(20)22-17)13-8-12(2-3-14(13)18)21-11-4-6-23-7-5-11/h2-3,8,11,15,21H,4-7,9-10H2,1H3,(H2,20,22)/t15-,17+/m0/s1 AOUYERQDQWXFRI-DOTOQJQBSA-N 123861 US8748418, 5 Beta-secretase 1 Homo sapiens 2400 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547316 225150267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252927 C[C@@]1(N=C(N)COCC1(F)F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H17ClF5N5O/c1-16(17(22,23)8-29-7-14(24)26-16)10-4-9(2-3-12(10)19)25-5-13-11(18)6-28(27-13)15(20)21/h2-4,6,15,25H,5,7-8H2,1H3,(H2,24,26)/t16-/m1/s1 JQFSKBFJRFOZRE-MRXNPFEDSA-N 123862 US8748418, 6 Beta-secretase 1 Homo sapiens 30 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60194542 225150268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252928 CC[C@@]1(N=C(N)COCC1(F)F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C18H19ClF5N5O/c1-2-17(18(23,24)9-30-8-15(25)27-17)11-5-10(3-4-13(11)20)26-6-14-12(19)7-29(28-14)16(21)22/h3-5,7,16,26H,2,6,8-9H2,1H3,(H2,25,27)/t17-/m1/s1 NUVPFLZJJVXOTE-QGZVFWFLSA-N 123863 US8748418, 7 Beta-secretase 1 Homo sapiens 170 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547318 225150269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252929 C[C@@]1(N=C(N)COCC1(F)F)c1cc(N[C@H]2CCc3cc(Cl)cnc23)ccc1F InChI=1S/C20H20ClF3N4O/c1-19(20(23,24)10-29-9-17(25)28-19)14-7-13(3-4-15(14)22)27-16-5-2-11-6-12(21)8-26-18(11)16/h3-4,6-8,16,27H,2,5,9-10H2,1H3,(H2,25,28)/t16-,19+/m0/s1 MRMHPBKPLSGSSO-QFBILLFUSA-N 123864 US8748418, 8 Beta-secretase 1 Homo sapiens 90 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547317 225150270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252930 C[C@@]1(N=C(N)COCC1(F)F)c1cc(N[C@@H]2CCc3cc(Cl)cnc23)ccc1F InChI=1S/C20H20ClF3N4O/c1-19(20(23,24)10-29-9-17(25)28-19)14-7-13(3-4-15(14)22)27-16-5-2-11-6-12(21)8-26-18(11)16/h3-4,6-8,16,27H,2,5,9-10H2,1H3,(H2,25,28)/t16-,19-/m1/s1 MRMHPBKPLSGSSO-VQIMIIECSA-N 123865 US8748418, 9 Beta-secretase 1 Homo sapiens 2100 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547319 225150271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252931 C[C@@]1(N=C(N)COCC1(F)F)c1cc(Nc2ccc(cc2)C#N)ccc1F InChI=1S/C19H17F3N4O/c1-18(19(21,22)11-27-10-17(24)26-18)15-8-14(6-7-16(15)20)25-13-4-2-12(9-23)3-5-13/h2-8,25H,10-11H2,1H3,(H2,24,26)/t18-/m1/s1 LBGFFZGJEKCFTP-GOSISDBHSA-N 123866 US8748418, 10 Beta-secretase 1 Homo sapiens 700 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252932 CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@H]3CCc4cc(cnc34)C#N)ccc2F)C1(F)F InChI=1S/C23H24F3N5O/c1-21(2)23(25,26)22(3,31-19(28)12-32-21)16-9-15(5-6-17(16)24)30-18-7-4-14-8-13(10-27)11-29-20(14)18/h5-6,8-9,11,18,30H,4,7,12H2,1-3H3,(H2,28,31)/t18-,22+/m0/s1 JAWQNPDVHXPUOL-PGRDOPGGSA-N 123867 US8748418, 12 Beta-secretase 1 Homo sapiens 120 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252933 CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@@H]3CCc4cc(cnc34)C#N)ccc2F)C1(F)F InChI=1S/C23H24F3N5O/c1-21(2)23(25,26)22(3,31-19(28)12-32-21)16-9-15(5-6-17(16)24)30-18-7-4-14-8-13(10-27)11-29-20(14)18/h5-6,8-9,11,18,30H,4,7,12H2,1-3H3,(H2,28,31)/t18-,22-/m1/s1 JAWQNPDVHXPUOL-XMSQKQJNSA-N 123868 US8748418, 13::US8748418, 21 Beta-secretase 1 Homo sapiens 310 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547489 225150274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252934 CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCc4cc(Cl)cnc34)ccc2F)C1(F)F InChI=1S/C22H24ClF3N4O/c1-20(2)22(25,26)21(3,30-18(27)11-31-20)15-9-14(5-6-16(15)24)29-17-7-4-12-8-13(23)10-28-19(12)17/h5-6,8-10,17,29H,4,7,11H2,1-3H3,(H2,27,30)/t17?,21-/m1/s1 QEQRMWYXLWHPTH-FBLFFUNLSA-N 123869 US8748418, 14 Beta-secretase 1 Homo sapiens 71 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547488 225150275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252935 CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)cnc34)ccc2F)C1(F)F InChI=1S/C21H22ClF3N4O2/c1-19(2)21(24,25)20(3,29-17(26)10-31-19)13-7-12(4-5-14(13)23)28-15-9-30-16-6-11(22)8-27-18(15)16/h4-8,15,28H,9-10H2,1-3H3,(H2,26,29)/t15?,20-/m1/s1 KGAFYWZDTGMPJU-YQYDADCPSA-N 123870 US8748418, 15 Beta-secretase 1 Homo sapiens 40 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252936 CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCCc4cc(cnc34)C#N)ccc2F)C1(F)F InChI=1S/C24H26F3N5O/c1-22(2)24(26,27)23(3,32-20(29)13-33-22)17-10-16(7-8-18(17)25)31-19-6-4-5-15-9-14(11-28)12-30-21(15)19/h7-10,12,19,31H,4-6,13H2,1-3H3,(H2,29,32)/t19?,23-/m1/s1 DQDFNCUEKCQXCI-LEQGEALCSA-N 123871 US8748418, 16 Beta-secretase 1 Homo sapiens 120 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547491 225150277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252937 CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)ccc34)ccc2F)C1(F)F InChI=1S/C22H23ClF3N3O2/c1-20(2)22(25,26)21(3,29-19(27)11-31-20)15-9-13(5-7-16(15)24)28-17-10-30-18-8-12(23)4-6-14(17)18/h4-9,17,28H,10-11H2,1-3H3,(H2,27,29)/t17?,21-/m1/s1 ONHMGVGQADMHCB-FBLFFUNLSA-N 123872 US8748418, 17 Beta-secretase 1 Homo sapiens 320 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547493 225150278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252938 Cn1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)n1 InChI=1S/C18H22F3N5O/c1-16(2)18(20,21)17(3,24-14(22)10-27-16)12-9-11(5-6-13(12)19)23-15-7-8-26(4)25-15/h5-9H,10H2,1-4H3,(H2,22,24)(H,23,25)/t17-/m1/s1 QYGFFWAZNLLMIB-QGZVFWFLSA-N 123873 US8748418, 18 Beta-secretase 1 Homo sapiens 240 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547657 225150279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252939 CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(F)cc3)ccc2F)C1(F)F InChI=1S/C20H21F4N3O/c1-18(2)20(23,24)19(3,27-17(25)11-28-18)15-10-14(8-9-16(15)22)26-13-6-4-12(21)5-7-13/h4-10,26H,11H2,1-3H3,(H2,25,27)/t19-/m1/s1 CFNQAYSORUWKLN-LJQANCHMSA-N 123874 US8748418, 19 Beta-secretase 1 Homo sapiens 310 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547658 225150280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252940 CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@H]3CCc4cc(cnc34)C#N)c(F)cc2F)C1(F)F InChI=1S/C23H23F4N5O/c1-21(2)23(26,27)22(3,32-19(29)11-33-21)14-7-18(16(25)8-15(14)24)31-17-5-4-13-6-12(9-28)10-30-20(13)17/h6-8,10,17,31H,4-5,11H2,1-3H3,(H2,29,32)/t17-,22+/m0/s1 ZXPMSLQQIPEYLP-HTAPYJJXSA-N 123875 US8748418, 20 Beta-secretase 1 Homo sapiens 1900 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547659 225150281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252941 CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@@H]3CCc4cc(cnc34)C#N)ccc2F)C1(F)F InChI=1S/C23H24F3N5O/c1-21(2)23(25,26)22(3,31-19(28)12-32-21)16-9-15(5-6-17(16)24)30-18-7-4-14-8-13(10-27)11-29-20(14)18/h5-6,8-9,11,18,30H,4,7,12H2,1-3H3,(H2,28,31)/t18-,22-/m1/s1 JAWQNPDVHXPUOL-XMSQKQJNSA-N 123868 US8748418, 13::US8748418, 21 Beta-secretase 1 Homo sapiens 14000 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252942 CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(Cl)nc3)ccc2F)C1(F)F InChI=1S/C19H20ClF3N4O/c1-17(2)19(22,23)18(3,27-16(24)10-28-17)13-8-11(4-6-14(13)21)26-12-5-7-15(20)25-9-12/h4-9,26H,10H2,1-3H3,(H2,24,27)/t18-/m1/s1 ZHRCZUUYWIYZLZ-GOSISDBHSA-N 123877 US8748418, 22 Beta-secretase 1 Homo sapiens 370 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252943 CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(F)c3)ccc2F)C1(F)F InChI=1S/C19H20F4N4O/c1-17(2)19(22,23)18(3,27-16(24)10-28-17)14-7-12(4-5-15(14)21)26-13-6-11(20)8-25-9-13/h4-9,26H,10H2,1-3H3,(H2,24,27)/t18-/m1/s1 QDHCAUCHZFEKAE-GOSISDBHSA-N 123878 US8748418, 23 Beta-secretase 1 Homo sapiens 440 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547661 225150284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252944 CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cccnc3)ccc2F)C1(F)F InChI=1S/C19H21F3N4O/c1-17(2)19(21,22)18(3,26-16(23)11-27-17)14-9-12(6-7-15(14)20)25-13-5-4-8-24-10-13/h4-10,25H,11H2,1-3H3,(H2,23,26)/t18-/m1/s1 XOQWCIWXRUAODU-GOSISDBHSA-N 123879 US8748418, 24 Beta-secretase 1 Homo sapiens 1100 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252945 COc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1 InChI=1S/C20H23F3N4O2/c1-18(2)20(22,23)19(3,27-16(24)11-29-18)14-9-12(5-7-15(14)21)26-13-6-8-17(28-4)25-10-13/h5-10,26H,11H2,1-4H3,(H2,24,27)/t19-/m1/s1 POSSNERCWDVBPP-LJQANCHMSA-N 123880 US8748418, 25 Beta-secretase 1 Homo sapiens 410 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252946 CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(c3)C(F)(F)F)ccc2F)C1(F)F InChI=1S/C20H20F6N4O/c1-17(2)20(25,26)18(3,30-16(27)10-31-17)14-7-12(4-5-15(14)21)29-13-6-11(8-28-9-13)19(22,23)24/h4-9,29H,10H2,1-3H3,(H2,27,30)/t18-/m1/s1 GDPOMHIELXXKQZ-GOSISDBHSA-N 123881 US8748418, 26 Beta-secretase 1 Homo sapiens 1900 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547824 225150287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252947 Cc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1 InChI=1S/C20H23F3N4O/c1-12-5-6-14(10-25-12)26-13-7-8-16(21)15(9-13)19(4)20(22,23)18(2,3)28-11-17(24)27-19/h5-10,26H,11H2,1-4H3,(H2,24,27)/t19-/m1/s1 JRBMREFVXABBQM-LJQANCHMSA-N 123882 US8748418, 27 Beta-secretase 1 Homo sapiens 5900 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547825 225150288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 252948 CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(OCC(F)(F)F)nc3)ccc2F)C1(F)F InChI=1S/C21H22F6N4O2/c1-18(2)21(26,27)19(3,31-16(28)10-33-18)14-8-12(4-6-15(14)22)30-13-5-7-17(29-9-13)32-11-20(23,24)25/h4-9,30H,10-11H2,1-3H3,(H2,28,31)/t19-/m1/s1 WBZPQQJIWRFYNT-LJQANCHMSA-N 123883 US8748418, 28 Beta-secretase 1 Homo sapiens 12700 4.5 US Patent 10.7270/Q2C53JJP aid1800503 US8748418 Gabellieri, E; Guba, W; Hilpert, H; Mauser, H; Mayweg, AV; Rogers-Evans, M; Rombach, D; Thomas, A; Woltering, T; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=123883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66547826 225150289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253217 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17+/m0/s1 QVPZORXMLIMRNH-WMLDXEAASA-N 124132 US8754075, 1 Beta-secretase 1 Homo sapiens 0.4 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558600 225150524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253218 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H14Cl2F2N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-12(10)20)24-15(26)14-11(19)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1 AVJOFNVVARWCHZ-SUMWQHHRSA-N 124133 US8754075, 2 Beta-secretase 1 Homo sapiens 0.6 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557905 225150525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253219 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C17H14F4N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-11(10)19)24-15(26)14-12(20)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1 FKVYNLQDLMIRRO-SUMWQHHRSA-N 124134 US8754075, 3 Beta-secretase 1 Homo sapiens 1 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557906 225150526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253220 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1 ALKHFUPBQSAGMS-MAUKXSAKSA-N 50432608 CHEMBL2347204::US8754075, 4 Beta-secretase 1 Homo sapiens 1 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H7 4J0V 66558601 164161483 CHEMBL2347204 ZINC95604687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253221 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C18H17F3N4O3/c1-18(15(21)8-27-17(22)25-18)12-6-10(2-4-13(12)20)24-16(26)14-5-3-11(7-23-14)28-9-19/h2-7,15H,8-9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1 NTRJCURAORAYRG-MAUKXSAKSA-N 124135 US8754075, 5 Beta-secretase 1 Homo sapiens 1 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558602 225150527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253222 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C18H16F4N4O3/c1-18(14(20)8-28-17(23)26-18)11-6-9(2-4-12(11)19)25-15(27)13-5-3-10(7-24-13)29-16(21)22/h2-7,14,16H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1 YEOGNKUPUNPNJY-KBXCAEBGSA-N 124136 US8754075, 6 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558603 225150528 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253223 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1 KYSGVAXATOXFCB-KBXCAEBGSA-N 124137 US8754075, 7 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558604 225150529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253224 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C17H14ClF3N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-11(10)19)24-15(26)14-12(20)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1 WGZWTJFBCUJEDS-SUMWQHHRSA-N 124138 US8754075, 8 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558605 225150530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253225 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C18H14ClF5N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-12(10)20)27-15(29)14-11(19)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17+/m0/s1 PUZPTNAELKFHSA-SUMWQHHRSA-N 124139 US8754075, 9 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558686 225150531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253226 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C17H16F3N5O3/c1-17(13(20)7-27-16(21)25-17)10-4-9(2-3-11(10)19)24-15(26)12-5-23-14(6-22-12)28-8-18/h2-6,13H,7-8H2,1H3,(H2,21,25)(H,24,26)/t13-,17+/m0/s1 JIDPJVJKHQADPG-SUMWQHHRSA-N 124140 US8754075, 10 Beta-secretase 1 Homo sapiens 24 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558687 225150532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253227 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F InChI=1S/C18H16F4N4O2/c1-18(14(20)8-28-17(23)26-18)11-6-10(3-4-12(11)19)25-16(27)13-5-2-9(7-24-13)15(21)22/h2-7,14-15H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1 IJKRHLSQOCWFJH-KBXCAEBGSA-N 124141 US8754075, 11 Beta-secretase 1 Homo sapiens 3 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558688 225150533 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253228 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C(F)(F)F)ccc1F InChI=1S/C18H14F6N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-11(10)19)27-15(29)14-12(20)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17+/m0/s1 VKXYNXCIQGNMMI-SUMWQHHRSA-N 124142 US8754075, 12 Beta-secretase 1 Homo sapiens 4 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558689 225150534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253229 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F InChI=1S/C18H18F2N4O3/c1-18(15(20)9-27-17(21)24-18)12-7-10(3-5-13(12)19)23-16(25)14-6-4-11(26-2)8-22-14/h3-8,15H,9H2,1-2H3,(H2,21,24)(H,23,25)/t15-,18+/m0/s1 VVMUTCSDIWXUCG-MAUKXSAKSA-N 124143 US8754075, 13 Beta-secretase 1 Homo sapiens 4 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124143&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558690 225150535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253230 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C22H20F2N4O2/c1-22(19(24)12-30-21(25)28-22)16-10-15(7-8-17(16)23)27-20(29)18-9-6-14(11-26-18)5-4-13-2-3-13/h6-11,13,19H,2-3,12H2,1H3,(H2,25,28)(H,27,29)/t19-,22+/m0/s1 JIXCAGUAYBCKGM-SIKLNZKXSA-N 124144 US8754075, 14 Beta-secretase 1 Homo sapiens 4 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558691 225150536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253231 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C17H15F4N5O2/c1-17(13(19)7-28-16(22)26-17)9-4-8(2-3-10(9)18)25-15(27)12-6-23-11(5-24-12)14(20)21/h2-6,13-14H,7H2,1H3,(H2,22,26)(H,25,27)/t13-,17+/m0/s1 BJYCZMRWVCPZKH-SUMWQHHRSA-N 124145 US8754075, 15 Beta-secretase 1 Homo sapiens 5 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558771 225150537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253232 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C20H21F2N5O3/c1-20(16(22)10-30-19(23)27-20)13-6-12(4-5-14(13)21)26-18(28)15-7-25-17(8-24-15)29-9-11-2-3-11/h4-8,11,16H,2-3,9-10H2,1H3,(H2,23,27)(H,26,28)/t16-,20+/m0/s1 PSZVESJICQKTRE-OXJNMPFZSA-N 124146 US8754075, 16 Beta-secretase 1 Homo sapiens 5 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558772 225150538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253233 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H17F5N4O3/c1-18(15(21)8-30-17(25)28-18)12-6-10(2-4-13(12)20)27-16(29)14-5-3-11(7-26-14)31-9-19(22,23)24/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 LUQWHFMXIMHIHJ-MAUKXSAKSA-N 124147 US8754075, 17 Beta-secretase 1 Homo sapiens 8 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559098 225150539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253234 Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)OC[C@@H]2F)c(C)o1 InChI=1S/C18H19F2N3O3/c1-9-6-12(10(2)26-9)16(24)22-11-4-5-14(19)13(7-11)18(3)15(20)8-25-17(21)23-18/h4-7,15H,8H2,1-3H3,(H2,21,23)(H,22,24)/t15-,18+/m0/s1 OHCOXMADQMWRFQ-MAUKXSAKSA-N 124148 US8754075, 18 Beta-secretase 1 Homo sapiens 8 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559189 225150540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253235 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C18H17F4N5O3/c1-18(13(20)7-30-17(23)27-18)10-4-9(2-3-11(10)19)26-16(28)12-5-25-15(6-24-12)29-8-14(21)22/h2-6,13-14H,7-8H2,1H3,(H2,23,27)(H,26,28)/t13-,18+/m0/s1 YUDVJPZQJRMSDK-SCLBCKFNSA-N 124149 US8754075, 19 Beta-secretase 1 Homo sapiens 8 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559185 225150541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253236 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H15F3N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17+/m0/s1 FKDTZPRHWANBCA-WMLDXEAASA-N 124150 US8754075, 20 Beta-secretase 1 Homo sapiens 10 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558773 225150542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253237 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)F)cn2)ccc1F InChI=1S/C19H18F4N4O3/c1-19(15(21)8-30-18(24)27-19)12-6-10(2-4-13(12)20)26-17(28)14-5-3-11(7-25-14)29-9-16(22)23/h2-7,15-16H,8-9H2,1H3,(H2,24,27)(H,26,28)/t15-,19+/m0/s1 QINMTEKICIURAP-HNAYVOBHSA-N 124151 US8754075, 21 Beta-secretase 1 Homo sapiens 13 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559186 225150543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253238 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F InChI=1S/C20H20F2N4O2/c1-20(17(22)10-28-19(23)26-20)14-8-13(5-6-15(14)21)25-18(27)16-7-4-12(9-24-16)11-2-3-11/h4-9,11,17H,2-3,10H2,1H3,(H2,23,26)(H,25,27)/t17-,20+/m0/s1 WTSAKQHAGKRFAQ-FXAWDEMLSA-N 124152 US8754075, 22 Beta-secretase 1 Homo sapiens 14 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558774 225150544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253239 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC3CC3)cn2)ccc1F InChI=1S/C21H22F2N4O3/c1-21(18(23)11-30-20(24)27-21)15-8-13(4-6-16(15)22)26-19(28)17-7-5-14(9-25-17)29-10-12-2-3-12/h4-9,12,18H,2-3,10-11H2,1H3,(H2,24,27)(H,26,28)/t18-,21+/m0/s1 GWXKLHUXFNWDLV-GHTZIAJQSA-N 124153 US8754075, 23 Beta-secretase 1 Homo sapiens 15 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558775 225150545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253240 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C20H18F6N4O3/c1-19(15(22)8-32-18(27)30-19)12-6-10(2-4-13(12)21)29-16(31)14-5-3-11(7-28-14)33-9-20(25,26)17(23)24/h2-7,15,17H,8-9H2,1H3,(H2,27,30)(H,29,31)/t15-,19+/m0/s1 XKKCXRJVFJWCBS-HNAYVOBHSA-N 124154 US8754075, 24 Beta-secretase 1 Homo sapiens 17 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559101 225150546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253241 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)(F)F)cn2)ccc1F InChI=1S/C20H17F7N4O3/c1-18(15(22)8-33-17(28)31-18)12-6-10(2-4-13(12)21)30-16(32)14-5-3-11(7-29-14)34-9-19(23,24)20(25,26)27/h2-7,15H,8-9H2,1H3,(H2,28,31)(H,30,32)/t15-,18+/m0/s1 SHANBBFTGPRBCZ-MAUKXSAKSA-N 124155 US8754075, 25 Beta-secretase 1 Homo sapiens 52 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559102 225150547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253242 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(Cl)s2)ccc1F InChI=1S/C15H13ClF2N4O2S/c1-15(11(18)6-24-14(19)22-15)8-4-7(2-3-9(8)17)21-12(23)10-5-20-13(16)25-10/h2-5,11H,6H2,1H3,(H2,19,22)(H,21,23)/t11-,15+/m0/s1 VVDUWXONJNQSOT-XHDPSFHLSA-N 124156 US8754075, 26 Beta-secretase 1 Homo sapiens 81 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558776 225150548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253243 Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F)C(F)(F)F InChI=1S/C17H16F5N5O2/c1-16(12(19)7-29-15(23)25-16)9-5-8(3-4-10(9)18)24-14(28)11-6-13(17(20,21)22)26-27(11)2/h3-6,12H,7H2,1-2H3,(H2,23,25)(H,24,28)/t12-,16+/m0/s1 PONYCQGFYCIYRU-BLLLJJGKSA-N 124157 US8754075, 27 Beta-secretase 1 Homo sapiens 90 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558854 225150549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253244 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F InChI=1S/C15H14ClF2N5O2/c1-15(11(18)6-25-14(19)22-15)8-4-7(2-3-10(8)17)21-13(24)12-9(16)5-20-23-12/h2-5,11H,6H2,1H3,(H2,19,22)(H,20,23)(H,21,24)/t11-,15+/m0/s1 DSOVCCKHSOQORN-XHDPSFHLSA-N 124158 US8754075, 28 Beta-secretase 1 Homo sapiens 130 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558856 225150550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253245 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cncs2)ccc1F InChI=1S/C15H14F2N4O2S/c1-15(12(17)6-23-14(18)21-15)9-4-8(2-3-10(9)16)20-13(22)11-5-19-7-24-11/h2-5,7,12H,6H2,1H3,(H2,18,21)(H,20,22)/t12-,15+/m0/s1 ANUKTVLUWWAZSN-SWLSCSKDSA-N 124159 US8754075, 29 Beta-secretase 1 Homo sapiens 250 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558855 225150551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253246 Cc1cc(nn1C)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F InChI=1S/C17H19F2N5O2/c1-9-6-13(23-24(9)3)15(25)21-10-4-5-12(18)11(7-10)17(2)14(19)8-26-16(20)22-17/h4-7,14H,8H2,1-3H3,(H2,20,22)(H,21,25)/t14-,17+/m0/s1 OFVJRTFMLSWACW-WMLDXEAASA-N 124160 US8754075, 30 Beta-secretase 1 Homo sapiens 760 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559184 225150552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253247 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2(CC2)C#N)ccc1F InChI=1S/C16H16F2N4O2/c1-15(12(18)7-24-14(20)22-15)10-6-9(2-3-11(10)17)21-13(23)16(8-19)4-5-16/h2-3,6,12H,4-5,7H2,1H3,(H2,20,22)(H,21,23)/t12-,15+/m0/s1 YZJJJWWJXVAYMP-SWLSCSKDSA-N 124161 US8754075, 31 Beta-secretase 1 Homo sapiens 75 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558857 225150553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253249 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1 ALKHFUPBQSAGMS-CRAIPNDOSA-N 50432607 CHEMBL2347205::US8754075, 33 Beta-secretase 1 Homo sapiens 27 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H6 4J0Y 66558858 164161482 CHEMBL2347205 ZINC95601492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253250 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17-/m1/s1 QVPZORXMLIMRNH-RHSMWYFYSA-N 124163 US8754075, 34 Beta-secretase 1 Homo sapiens 42 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558931 225150555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253251 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18-/m1/s1 KYSGVAXATOXFCB-RDTXWAMCSA-N 124164 US8754075, 35 Beta-secretase 1 Homo sapiens 82 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558860 225150556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253252 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C18H14ClF5N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-12(10)20)27-15(29)14-11(19)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m1/s1 PUZPTNAELKFHSA-CXAGYDPISA-N 124165 US8754075, 36 Beta-secretase 1 Homo sapiens 140 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558932 225150557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253253 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F InChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 WAGVRKPPJOWFFS-RBUKOAKNSA-N 124166 US8754075, 37 Beta-secretase 1 Homo sapiens 22 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559099 225150558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253254 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F2N5O2/c1-18(21)10-28-17(23)26-19(18,2)13-7-12(4-5-14(13)20)25-16(27)15-6-3-11(8-22)9-24-15/h3-7,9H,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-,19+/m0/s1 GNZDJABHDPTECH-RBUKOAKNSA-N 124167 US8754075, 38 Beta-secretase 1 Homo sapiens 0.4 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558933 225150559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253255 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H16Cl2F2N4O2/c1-17(22)8-28-16(23)26-18(17,2)11-6-10(3-4-13(11)21)25-15(27)14-12(20)5-9(19)7-24-14/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1 NZASLBMMFRPVKI-ZWKOTPCHSA-N 124168 US8754075, 39 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557907 225150560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253256 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H16ClF4N5O2/c1-16(22)7-29-15(23)25-17(16,2)9-5-8(3-4-11(9)19)24-13(28)12-10(18)6-27(26-12)14(20)21/h3-6,14H,7H2,1-2H3,(H2,23,25)(H,24,28)/t16-,17+/m0/s1 WTHOIYZCRWOJGP-DLBZAZTESA-N 124169 US8754075, 40 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558934 225150561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253257 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClF2N4O2/c1-17(21)9-27-16(22)25-18(17,2)12-7-11(4-5-13(12)20)24-15(26)14-6-3-10(19)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 NPMZPSZAYDDDQG-ZWKOTPCHSA-N 124170 US8754075, 41 Beta-secretase 1 Homo sapiens 3 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558935 225150562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253258 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H17F3N4O2/c1-17(21)9-27-16(22)25-18(17,2)12-7-11(4-5-13(12)20)24-15(26)14-6-3-10(19)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 NVOQNXJHOVMVBJ-ZWKOTPCHSA-N 124171 US8754075, 42 Beta-secretase 1 Homo sapiens 11 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558936 225150563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253259 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(CC(F)F)cc2Cl)ccc1F InChI=1S/C18H18ClF4N5O2/c1-17(23)8-30-16(24)26-18(17,2)10-5-9(3-4-12(10)20)25-15(29)14-11(19)6-28(27-14)7-13(21)22/h3-6,13H,7-8H2,1-2H3,(H2,24,26)(H,25,29)/t17-,18+/m0/s1 FFTNLDBKNPISTD-ZWKOTPCHSA-N 124172 US8754075, 43 Beta-secretase 1 Homo sapiens 183 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559187 225150564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253260 C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)C2CC2(F)F)ccc1F InChI=1S/C16H17F4N3O2/c1-14(18)7-25-13(21)23-15(14,2)9-5-8(3-4-11(9)17)22-12(24)10-6-16(10,19)20/h3-5,10H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t10?,14-,15+/m0/s1 PUJNNEOQOMQHHE-XVDHHWJWSA-N 124173 US8754075, 44 Beta-secretase 1 Homo sapiens 32 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559188 225150565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253261 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF4N4O3/c1-18(15(8-30-17(25)28-18)31-9-19(22,23)24)12-6-11(3-4-13(12)21)27-16(29)14-5-2-10(20)7-26-14/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 OILODYURZOTHSC-MAUKXSAKSA-N 124174 US8754075, 45 Beta-secretase 1 Homo sapiens 1 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559013 225150566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253262 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H17F5N4O3/c1-18(15(8-30-17(25)28-18)31-9-19(22,23)24)12-6-11(3-4-13(12)21)27-16(29)14-5-2-10(20)7-26-14/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 LTPGAOLCDJJIPI-MAUKXSAKSA-N 124175 US8754075, 46 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559014 225150567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253263 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O3/c1-19(16(9-31-18(26)29-19)32-10-20(22,23)24)13-6-12(3-4-14(13)21)28-17(30)15-5-2-11(7-25)8-27-15/h2-6,8,16H,9-10H2,1H3,(H2,26,29)(H,28,30)/t16-,19+/m0/s1 FVAAHYRLUYIRSN-QFBILLFUSA-N 124176 US8754075, 47 Beta-secretase 1 Homo sapiens 1 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559015 225150568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253264 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C19H16Cl2F4N4O3/c1-18(14(7-31-17(26)29-18)32-8-19(23,24)25)11-5-10(2-3-13(11)22)28-16(30)15-12(21)4-9(20)6-27-15/h2-6,14H,7-8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 RNACDDOYNBSODP-KBXCAEBGSA-N 124177 US8754075, 48 Beta-secretase 1 Homo sapiens 3 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557908 225150569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253265 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C21H19F7N4O4/c1-19(16(8-34-18(29)32-19)36-10-21(26,27)28)13-6-11(2-4-14(13)22)31-17(33)15-5-3-12(7-30-15)35-9-20(23,24)25/h2-7,16H,8-10H2,1H3,(H2,29,32)(H,31,33)/t16-,19+/m0/s1 VLYFUOTVQJPANX-QFBILLFUSA-N 124178 US8754075, 49 Beta-secretase 1 Homo sapiens 21 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559100 225150570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253266 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@]1(C)F InChI=1S/C21H21F2N5O3/c1-4-5-8-30-17-11-25-16(10-26-17)18(29)27-13-6-7-15(22)14(9-13)21(3)20(2,23)12-31-19(24)28-21/h6-7,9-11H,8,12H2,1-3H3,(H2,24,28)(H,27,29)/t20-,21+/m0/s1 MVLCYGXVHAGUKG-LEWJYISDSA-N 124179 US8754075, 50 Beta-secretase 1 Homo sapiens 0.1 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66559016 225150571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253267 NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C18H14F3N5O2/c1-23-11-3-5-14(24-7-11)16(27)25-10-2-4-13(20)12(6-10)18(9-19)15(21)8-28-17(22)26-18/h2-7,15H,8-9H2,(H2,22,26)(H,25,27)/t15-,18+/m0/s1 ULMKBCWEMAYQPY-MAUKXSAKSA-N 124180 US8754075, 51 Beta-secretase 1 Homo sapiens 25 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86766279 225150572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253268 NC1=N[C@@](CF)([C@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C18H14F3N5O2/c1-23-11-3-5-14(24-7-11)16(27)25-10-2-4-13(20)12(6-10)18(9-19)15(21)8-28-17(22)26-18/h2-7,15H,8-9H2,(H2,22,26)(H,25,27)/t15-,18-/m1/s1 ULMKBCWEMAYQPY-CRAIPNDOSA-N 124181 US8754075, 52 Beta-secretase 1 Homo sapiens 39 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86766280 225150573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 253248 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C15H17F2N3O2/c1-15(12(17)7-22-14(18)20-15)10-6-9(4-5-11(10)16)19-13(21)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H2,18,20)(H,19,21)/t12-,15+/m0/s1 INWRFXBKLBWURP-SWLSCSKDSA-N 124162 US8754075, 32 Beta-secretase 1 Homo sapiens 730 37.00 C US Patent 10.7270/Q2FX784Q aid1800510 US8754075 Hilpert, H; Wostl, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=124162&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66558859 225150554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 255924 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccccc1 InChI=1S/C16H16FN5S.ClH/c17-13-6-19-15(20-7-13)22-8-12-9-23-14(18)21-16(12,10-22)11-4-2-1-3-5-11;/h1-7,12H,8-10H2,(H2,18,21);1H/t12-,16+;/m0./s1 OUUYOATXWGWJFR-CVHDTDHSSA-N 126005 US8772282, 1::US8772282, 203 Beta-secretase 1 Homo sapiens 64.4 4.6 25.00 C US Patent 10.7270/Q2JH3JVQ aid1800553 US8772282 Beck, JP; Green, SJ; Lopez, JE; Mathes, BM; Mergott, DJ; Porter, WJ; Rankovic, Z; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=126005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78318758 225152367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 255925 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccs1 InChI=1S/C14H14FN5S2.CH3I/c15-10-4-17-13(18-5-10)20-6-9-7-22-12(16)19-14(9,8-20)11-2-1-3-21-11;1-2/h1-5,9H,6-8H2,(H2,16,19);1H3/t9-,14-;/m0./s1 HCPAUZLZSXUQGK-HDWCWOBCSA-N 126007 US8772282, 16 Beta-secretase 1 Homo sapiens 77.3 4.6 25.00 C US Patent 10.7270/Q2JH3JVQ aid1800553 US8772282 Beck, JP; Green, SJ; Lopez, JE; Mathes, BM; Mergott, DJ; Porter, WJ; Rankovic, Z; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=126007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86766495 225152369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 255926 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccns1 InChI=1S/C13H13FN6S2.ClH/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10;/h1-4,8H,5-7H2,(H2,15,19);1H/t8-,13-;/m0./s1 SVNKRWLWUZCYQD-GAYVKDPFSA-N 126009 US8772282, 23 Beta-secretase 1 Homo sapiens 172 4.6 25.00 C US Patent 10.7270/Q2JH3JVQ aid1800553 US8772282 Beck, JP; Green, SJ; Lopez, JE; Mathes, BM; Mergott, DJ; Porter, WJ; Rankovic, Z; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=126009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71738998 225152370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 255927 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1ccc(F)s1 InChI=1S/C14H14FN5S2.ClH/c15-11-3-2-10(22-11)14-8-20(13-17-4-1-5-18-13)6-9(14)7-21-12(16)19-14;/h1-5,9H,6-8H2,(H2,16,19);1H/t9-,14-;/m0./s1 TUHUDMVBQNIPRX-HDWCWOBCSA-N 126010 US8772282, 30 Beta-secretase 1 Homo sapiens 166 4.6 25.00 C US Patent 10.7270/Q2JH3JVQ aid1800553 US8772282 Beck, JP; Green, SJ; Lopez, JE; Mathes, BM; Mergott, DJ; Porter, WJ; Rankovic, Z; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=126010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762253 225152371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 255928 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(s1)C#N InChI=1S/C15H13FN6S2.ClH/c16-10-4-19-14(20-5-10)22-6-9-7-23-13(18)21-15(9,8-22)12-2-1-11(3-17)24-12;/h1-2,4-5,9H,6-8H2,(H2,18,21);1H/t9-,15-;/m0./s1 CEMKBBMCDHHRMT-UXZWUECBSA-N 126011 US8772282, 31 Beta-secretase 1 Homo sapiens 110 4.6 25.00 C US Patent 10.7270/Q2JH3JVQ aid1800553 US8772282 Beck, JP; Green, SJ; Lopez, JE; Mathes, BM; Mergott, DJ; Porter, WJ; Rankovic, Z; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 255929 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(F)s1 InChI=1S/C14H13F2N5S2.ClH/c15-9-3-18-13(19-4-9)21-5-8-6-22-12(17)20-14(8,7-21)10-1-2-11(16)23-10;/h1-4,8H,5-7H2,(H2,17,20);1H/t8-,14-;/m0./s1 JKBYRYYXJCIAGN-ZGDSMARSSA-N 126012 US8772282, 32 Beta-secretase 1 Homo sapiens 91.2 4.6 25.00 C US Patent 10.7270/Q2JH3JVQ aid1800553 US8772282 Beck, JP; Green, SJ; Lopez, JE; Mathes, BM; Mergott, DJ; Porter, WJ; Rankovic, Z; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=126012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762254 225152373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270423 COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1C1CCCC(F)(F)C1)c1ccccc1 InChI=1S/C31H38F2N2O3/c1-37-27-11-5-10-24-28(27)38-16-14-30(24)20-34-19-25(30)29(36)35-15-12-22(21-7-3-2-4-8-21)17-26(35)23-9-6-13-31(32,33)18-23/h2-5,7-8,10-11,22-23,25-26,34H,6,9,12-20H2,1H3/t22-,23?,25+,26+,30+/m1/s1 QDJWLSPATDJTJC-GVYFLOEHSA-N 136544 US8865701, 3::US9505739, 3 Beta-secretase 1 Homo sapiens 2190 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46893336 249812870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270424 CC(C)[C@@H]1C[C@@H](CCN1C(=O)[C@@H]1CNC[C@]11CCCc2ccccc12)c1ccccc1 InChI=1S/C28H36N2O/c1-20(2)26-17-23(21-9-4-3-5-10-21)14-16-30(26)27(31)25-18-29-19-28(25)15-8-12-22-11-6-7-13-24(22)28/h3-7,9-11,13,20,23,25-26,29H,8,12,14-19H2,1-2H3/t23-,25+,26+,28+/m1/s1 ZUIUWQIQNSLVIX-XAUNCYBDSA-N 136545 US8865701, 7::US9505739, 7 Beta-secretase 1 Homo sapiens 22000 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549487 249812871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270425 COC(C)(C)C1CCCCN1C(=O)[C@@H]1CNC[C@@]11CCCc2ccccc12 InChI=1S/C23H34N2O2/c1-22(2,27-3)20-12-6-7-14-25(20)21(26)19-15-24-16-23(19)13-8-10-17-9-4-5-11-18(17)23/h4-5,9,11,19-20,24H,6-8,10,12-16H2,1-3H3/t19-,20?,23+/m0/s1 VZSJSTNSKJKXPA-HDQKBQCZSA-N 136546 US8865701, 10 Beta-secretase 1 Homo sapiens 20000 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549571 249812872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270426 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C25H29ClN2O/c26-21-8-9-22-20(15-21)7-4-12-25(22)17-27-16-23(25)24(29)28-13-10-19(11-14-28)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19,23,27H,4,7,10-14,16-17H2/t23-,25-/m0/s1 OSHAQSKTDYUYLA-ZCYQVOJMSA-N 136547 US8865701, 19::US9505739, 19 Beta-secretase 1 Homo sapiens 920 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549638 249812873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270427 O=C([C@@H]1CNC[C@]11CCc2ccccc12)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 InChI=1S/C30H32N2O/c33-29(27-20-31-21-30(27)17-15-23-11-7-8-14-26(23)30)32-18-16-25(22-9-3-1-4-10-22)19-28(32)24-12-5-2-6-13-24/h1-14,25,27-28,31H,15-21H2/t25-,27+,28+,30+/m1/s1 HMBQFZYFRSSQON-DSSYMDFGSA-N 136548 US8865701, 21::US9505739, 21 Beta-secretase 1 Homo sapiens 71 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549427 249812874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270428 Brc1ccc2c(CC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C24H27BrN2O/c25-20-6-7-21-19(14-20)8-11-24(21)16-26-15-22(24)23(28)27-12-9-18(10-13-27)17-4-2-1-3-5-17/h1-7,14,18,22,26H,8-13,15-16H2/t22-,24-/m0/s1 OYCCZVYNVGVLPV-UPVQGACJSA-N 136549 US8865701, 30::US9505739, 30 Beta-secretase 1 Homo sapiens 14000 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549078 249812875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270429 CC(C)c1cccc2c1CCC[C@]21CNC[C@H]1C(=O)N1CCC(CC1)c1ccccc1 InChI=1S/C28H36N2O/c1-20(2)23-10-6-12-25-24(23)11-7-15-28(25)19-29-18-26(28)27(31)30-16-13-22(14-17-30)21-8-4-3-5-9-21/h3-6,8-10,12,20,22,26,29H,7,11,13-19H2,1-2H3/t26-,28-/m0/s1 DERYPBXLNDLVEK-XCZPVHLTSA-N 136550 US8865701, 31::US9505739, 31 Beta-secretase 1 Homo sapiens 24 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46861618 249812876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270430 O=C([C@@H]1CNC[C@]11CCSc2ccccc12)N1CCC(CC1)c1ccccc1 InChI=1S/C24H28N2OS/c27-23(26-13-10-19(11-14-26)18-6-2-1-3-7-18)21-16-25-17-24(21)12-15-28-22-9-5-4-8-20(22)24/h1-9,19,21,25H,10-17H2/t21-,24-/m0/s1 NBWQARVLSJZWOE-URXFXBBRSA-N 136551 US8865701, 38::US9505739, 38 Beta-secretase 1 Homo sapiens 12000 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58548979 249812877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270431 CCc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C27H34N2O/c1-2-20-10-11-24-23(17-20)9-6-14-27(24)19-28-18-25(27)26(30)29-15-12-22(13-16-29)21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22,25,28H,2,6,9,12-16,18-19H2,1H3/t25-,27-/m0/s1 MNOYYFZDYQGGQG-BDYUSTAISA-N 136552 US8865701, 44::US9505739, 44 Beta-secretase 1 Homo sapiens 19000 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549314 249812878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270432 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC3(CC2c2ccccc2)C=Cc2ccccc32)n1 InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2/t26-,28?,31?,32-/m0/s1 ZLADFTQKDXFOSW-CWFPHDOSSA-N 136553 US8865701, 77::US9505739, 77 Beta-secretase 1 Homo sapiens 200 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549593 249812879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270433 Cc1cccc(c1)C1CC(CCN1C(=O)C1CNC[C@]11CCCc2nc(Cl)ccc12)c1ccccc1 InChI=1S/C31H34ClN3O/c1-21-7-5-10-24(17-21)28-18-23(22-8-3-2-4-9-22)14-16-35(28)30(36)26-19-33-20-31(26)15-6-11-27-25(31)12-13-29(32)34-27/h2-5,7-10,12-13,17,23,26,28,33H,6,11,14-16,18-20H2,1H3/t23?,26?,28?,31-/m0/s1 SHGDACKXZZBVAK-HSPASALISA-N 136554 US8865701, 100 Beta-secretase 1 Homo sapiens 450 6.5 US Patent 10.7270/Q2KP80V1 aid1800724 US8865701 Liu, K; Stachel, SJ; Coburn, CA; Steele, TG; Soll, R; Wu, H; Peng, X; Cai, Y; Du, X; Li, J Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549308 249812880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270434 Cn1nc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F3N4OS/c1-24-15(20)6-13(23-24)14-4-9-7-26-16(21)22-17(9,8-25-14)11-3-2-10(18)5-12(11)19/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,21,22)/t9-,14+,17-/m0/s1 YSSIVDQDOKWLPW-YCELRVBUSA-N 136562 US8865706, 1 Beta-secretase 1 Homo sapiens 83.7 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343529 249812888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270435 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cn1)c1ccc(F)cc1F InChI=1S/C18H16F3N3OS/c19-11-1-3-13(14(21)6-11)18-9-25-16(15-4-2-12(20)7-23-15)5-10(18)8-26-17(22)24-18/h1-4,6-7,10,16H,5,8-9H2,(H2,22,24)/t10-,16+,18-/m0/s1 BBOFAVQZLDSRAM-HIIUDZQISA-N 136563 US8865706, 2 Beta-secretase 1 Homo sapiens 233 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343144 249812889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270436 Cn1cc(ccc1=O)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H19F2N3O2S/c1-24-8-11(2-5-17(24)25)16-6-12-9-27-18(22)23-19(12,10-26-16)14-4-3-13(20)7-15(14)21/h2-5,7-8,12,16H,6,9-10H2,1H3,(H2,22,23)/t12-,16+,19-/m0/s1 BLDFPKAMXFBXMA-MOFZMDFASA-N 136564 US8865706, 3 Beta-secretase 1 Homo sapiens 119 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343145 249812890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270437 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cn2cccnc2n1)c1ccc(F)cc1F InChI=1S/C19H17F2N5OS/c20-12-2-3-13(14(21)7-12)19-10-27-16(6-11(19)9-28-17(22)25-19)15-8-26-5-1-4-23-18(26)24-15/h1-5,7-8,11,16H,6,9-10H2,(H2,22,25)/t11-,16+,19-/m0/s1 JCIKHUXHSBSJFB-MAAWUACBSA-N 136565 US8865706, 4 Beta-secretase 1 Homo sapiens 1840 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343525 249812891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270438 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cnn(CC(F)(F)F)c1)c1ccc(F)cc1F InChI=1S/C18H17F5N4OS/c19-12-1-2-13(14(20)4-12)17-9-28-15(3-11(17)7-29-16(24)26-17)10-5-25-27(6-10)8-18(21,22)23/h1-2,4-6,11,15H,3,7-9H2,(H2,24,26)/t11-,15+,17-/m0/s1 PESSOXMFWBNOSU-CXMBCZLWSA-N 136566 US8865706, 5 Beta-secretase 1 Homo sapiens 72.8 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343722 249812892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270439 Cc1nc(no1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H16F2N4O2S/c1-8-20-14(22-24-8)13-4-9-6-25-15(19)21-16(9,7-23-13)11-3-2-10(17)5-12(11)18/h2-3,5,9,13H,4,6-7H2,1H3,(H2,19,21)/t9-,13+,16-/m0/s1 ULVIMNOZDYOJLV-VAHXTSCQSA-N 136567 US8865706, 6 Beta-secretase 1 Homo sapiens 341 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343723 249812893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270440 Cc1ccc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H19F2N3OS/c1-11-2-3-12(8-23-11)17-6-13-9-26-18(22)24-19(13,10-25-17)15-5-4-14(20)7-16(15)21/h2-5,7-8,13,17H,6,9-10H2,1H3,(H2,22,24)/t13-,17+,19-/m0/s1 BWTUQMLQTUOVBH-IRWQIABSSA-N 136568 US8865706, 7 Beta-secretase 1 Homo sapiens 182 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343146 249812894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270441 Cn1cc(F)c(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F3N4OS/c1-24-6-13(20)15(23-24)14-4-9-7-26-16(21)22-17(9,8-25-14)11-3-2-10(18)5-12(11)19/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,21,22)/t9-,14+,17-/m0/s1 JCKADNLKXNAZNU-YCELRVBUSA-N 136569 US8865706, 8 Beta-secretase 1 Homo sapiens 162 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343724 249812895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270442 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1 HVEVDFRWOQHAPJ-CKMNQQOVSA-N 136570 US8865706, 9 Beta-secretase 1 Homo sapiens 75.9 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343364 249812896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270443 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc2cnccc2o1)c1ccc(F)cc1F InChI=1S/C19H16F2N4O2S/c20-11-1-2-12(13(21)6-11)19-9-26-16(5-10(19)8-28-18(22)25-19)17-24-14-7-23-4-3-15(14)27-17/h1-4,6-7,10,16H,5,8-9H2,(H2,22,25)/t10-,16+,19-/m0/s1 MCIIOYNNPPTDHU-KEMVTONXSA-N 136571 US8865706, 10 Beta-secretase 1 Homo sapiens 240 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343526 249812897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270444 COc1cnc(nc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4O2S/c1-25-12-6-22-16(23-7-12)15-4-10-8-27-17(21)24-18(10,9-26-15)13-3-2-11(19)5-14(13)20/h2-3,5-7,10,15H,4,8-9H2,1H3,(H2,21,24)/t10-,15+,18-/m0/s1 OAQHRRNHJUTEMP-VDYXNGCNSA-N 136572 US8865706, 11 Beta-secretase 1 Homo sapiens 343 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343334 249812898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270445 Cn1ncc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H17F2N5OS/c1-23-20-6-13(22-23)14-4-9-7-25-15(19)21-16(9,8-24-14)11-3-2-10(17)5-12(11)18/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,19,21)/t9-,14+,16-/m0/s1 RHOCNDGDVTUWRH-JNHRWOMLSA-N 136573 US8865706, 12 Beta-secretase 1 Homo sapiens 466 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343725 249812899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270446 Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1 JIAYOIBUKDISBO-IYPIGGPWSA-N 136574 US8865706, 13 Beta-secretase 1 Homo sapiens 54.8 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76955651 249812900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270447 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc(co1)C(F)F)c1ccc(F)cc1F InChI=1S/C17H15F4N3O2S/c18-9-1-2-10(11(19)4-9)17-7-26-13(3-8(17)6-27-16(22)24-17)15-23-12(5-25-15)14(20)21/h1-2,4-5,8,13-14H,3,6-7H2,(H2,22,24)/t8-,13+,17-/m0/s1 LOMSVYYCZMWWKZ-LCUABVJFSA-N 136575 US8865706, 14 Beta-secretase 1 Homo sapiens 231 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343726 249812901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270448 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1 AWKVMOUMPQXDPO-NPQNXCPHSA-N 136576 US8865706, 16 Beta-secretase 1 Homo sapiens 24.6 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343366 249812902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270449 Cc1ncc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4OS/c1-10-22-6-11(7-23-10)16-4-12-8-26-17(21)24-18(12,9-25-16)14-3-2-13(19)5-15(14)20/h2-3,5-7,12,16H,4,8-9H2,1H3,(H2,21,24)/t12-,16+,18-/m0/s1 NXWRDGYXAULZIN-XZOAIXRZSA-N 136577 US8865706, 17 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343335 249812903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270450 Cn1cc(nn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H17F2N5OS/c1-23-6-13(21-22-23)14-4-9-7-25-15(19)20-16(9,8-24-14)11-3-2-10(17)5-12(11)18/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,19,20)/t9-,14+,16-/m0/s1 YRPCKZFYHRQIQN-JNHRWOMLSA-N 136578 US8865706, 18 Beta-secretase 1 Homo sapiens 877 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343727 249812904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270451 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc(co1)C#N)c1ccc(F)cc1F InChI=1S/C17H14F2N4O2S/c18-10-1-2-12(13(19)4-10)17-8-25-14(15-22-11(5-20)6-24-15)3-9(17)7-26-16(21)23-17/h1-2,4,6,9,14H,3,7-8H2,(H2,21,23)/t9-,14+,17-/m0/s1 KBYFSXJKVKUVGM-YCELRVBUSA-N 136579 US8865706, 19 Beta-secretase 1 Homo sapiens 555 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343905 249812905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270452 Cc1cnc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4OS/c1-10-6-23-15(7-22-10)16-4-11-8-26-17(21)24-18(11,9-25-16)13-3-2-12(19)5-14(13)20/h2-3,5-7,11,16H,4,8-9H2,1H3,(H2,21,24)/t11-,16+,18-/m0/s1 VHXQPAJVUGIRHC-LSKLOWJMSA-N 136580 US8865706, 20 Beta-secretase 1 Homo sapiens 389 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343906 249812906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270453 Cc1cnc(cn1)[C@@H]1C[C@@H]2CSC(N)=N[C@@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4OS/c1-10-6-23-15(7-22-10)16-4-11-8-26-17(21)24-18(11,9-25-16)13-3-2-12(19)5-14(13)20/h2-3,5-7,11,16H,4,8-9H2,1H3,(H2,21,24)/t11-,16+,18-/m1/s1 VHXQPAJVUGIRHC-DPZKZMLUSA-N 136581 US8865706, C89 Beta-secretase 1 Homo sapiens 36200 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343907 249812907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270454 CCOc1cc(nn1C)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H22F2N4O2S/c1-3-26-17-8-15(24-25(17)2)16-6-11-9-28-18(22)23-19(11,10-27-16)13-5-4-12(20)7-14(13)21/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H2,22,23)/t11-,16+,19-/m0/s1 PMRJAYAEJLYNNV-MAAWUACBSA-N 136582 US8865706, 21 Beta-secretase 1 Homo sapiens 5400 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343908 249812908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270455 Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H19F3N4OS/c1-25-8-10(7-23-25)15-5-13-16(6-19)27-17(22)24-18(13,9-26-15)12-3-2-11(20)4-14(12)21/h2-4,7-8,13,15-16H,5-6,9H2,1H3,(H2,22,24)/t13-,15+,16+,18+/m0/s1 ZIBHVERILBHVJF-AAJLLMFJSA-N 136583 US8865706, 22 Beta-secretase 1 Homo sapiens 54 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343365 249812909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270456 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc2ccncc2o1)c1ccc(F)cc1F InChI=1S/C19H16F2N4O2S/c20-11-1-2-12(13(21)6-11)19-9-26-15(5-10(19)8-28-18(22)25-19)17-24-14-3-4-23-7-16(14)27-17/h1-4,6-7,10,15H,5,8-9H2,(H2,22,25)/t10-,15+,19-/m0/s1 OTIZLFDINUQJQA-FUVFPRGESA-N 136555 US8865706, 23 Beta-secretase 1 Homo sapiens 5020 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343527 249812881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270457 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cncnc1)c1ccc(F)cc1F InChI=1S/C17H16F2N4OS/c18-12-1-2-13(14(19)4-12)17-8-24-15(10-5-21-9-22-6-10)3-11(17)7-25-16(20)23-17/h1-2,4-6,9,11,15H,3,7-8H2,(H2,20,23)/t11-,15+,17-/m0/s1 AGVSEJHWLJHZMN-CXMBCZLWSA-N 136556 US8865706, 24 Beta-secretase 1 Homo sapiens 1550 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343336 249812882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270458 COc1cc(ccn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H19F2N3O2S/c1-25-17-6-11(4-5-23-17)16-7-12-9-27-18(22)24-19(12,10-26-16)14-3-2-13(20)8-15(14)21/h2-6,8,12,16H,7,9-10H2,1H3,(H2,22,24)/t12-,16+,19-/m0/s1 MISNYDXFQSWHAX-MOFZMDFASA-N 136557 US8865706, 25 Beta-secretase 1 Homo sapiens 384 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343337 249812883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270459 COc1cncc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H19F2N3O2S/c1-25-14-4-11(7-23-8-14)17-5-12-9-27-18(22)24-19(12,10-26-17)15-3-2-13(20)6-16(15)21/h2-4,6-8,12,17H,5,9-10H2,1H3,(H2,22,24)/t12-,17+,19-/m0/s1 UHEMQQDCLNXFOB-WILYLXEWSA-N 136558 US8865706, 26 Beta-secretase 1 Homo sapiens 1250 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343338 249812884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270460 Cc1cc(ccn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H19F2N3OS/c1-11-6-12(4-5-23-11)17-7-13-9-26-18(22)24-19(13,10-25-17)15-3-2-14(20)8-16(15)21/h2-6,8,13,17H,7,9-10H2,1H3,(H2,22,24)/t13-,17+,19-/m0/s1 XKJDNQQRKWLMAK-IRWQIABSSA-N 136559 US8865706, 27 Beta-secretase 1 Homo sapiens 221 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343339 249812885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270461 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2nccn2c1)c1ccc(F)cc1F InChI=1S/C20H18F2N4OS/c21-14-2-3-15(16(22)8-14)20-11-27-17(7-13(20)10-28-19(23)25-20)12-1-4-18-24-5-6-26(18)9-12/h1-6,8-9,13,17H,7,10-11H2,(H2,23,25)/t13-,17+,20-/m0/s1 SREYUNASIGFXOS-ZLXGRDSLSA-N 136560 US8865706, 28 Beta-secretase 1 Homo sapiens 2150 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343528 249812886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270462 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cncc(F)c1)c1ccc(F)cc1F InChI=1S/C18H16F3N3OS/c19-12-1-2-14(15(21)5-12)18-9-25-16(10-3-13(20)7-23-6-10)4-11(18)8-26-17(22)24-18/h1-3,5-7,11,16H,4,8-9H2,(H2,22,24)/t11-,16+,18-/m0/s1 WWPKMTNUNPCENN-LSKLOWJMSA-N 136561 US8865706, 29 Beta-secretase 1 Homo sapiens 37.9 US Patent 10.7270/Q2FX7855 aid1800725 US8865706 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; LaChapelle, EA; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343524 249812887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270585 CC1=NC2(CCOc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)N=C1N InChI=1S/C18H15Cl2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23) BTQYJGMMVLMRIM-UHFFFAOYSA-N 136706 US10231967, Example 1::US8865911, 1::US9918985, Example 1 Beta-secretase 1 Homo sapiens 157 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384614 249813032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270586 CC1=NC2(CCOc3ccc(cc23)-c2cncc(Cl)c2)N=C1N InChI=1S/C17H15ClN4O/c1-10-16(19)22-17(21-10)4-5-23-15-3-2-11(7-14(15)17)12-6-13(18)9-20-8-12/h2-3,6-9H,4-5H2,1H3,(H2,19,22) XNFNZERRRUIVBJ-UHFFFAOYSA-N 136707 US10231967, Example 2::US8865911, 2::US9918985, Example 2 Beta-secretase 1 Homo sapiens 743 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384615 249813033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270587 CC1=NC2(CCOc3ccc(cc23)-c2cc(F)cc(F)c2)N=C1N InChI=1S/C18H15F2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23) XPBCXYLXDCQPPG-UHFFFAOYSA-N 136708 US10231967, Example 3::US8865911, 3::US9918985, Example 3 Beta-secretase 1 Homo sapiens 1700 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384616 249813034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270588 CC1=NC2(CCOc3ccc(cc23)-c2cc(C)cc(C)c2)N=C1N InChI=1S/C20H21N3O/c1-12-8-13(2)10-16(9-12)15-4-5-18-17(11-15)20(6-7-24-18)22-14(3)19(21)23-20/h4-5,8-11H,6-7H2,1-3H3,(H2,21,23) XVHSHDMIBQAYGQ-UHFFFAOYSA-N 136914 US10231967, Example 4::US8865911, 4::US9918985, Example 4 Beta-secretase 1 Homo sapiens 3200 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384617 249813240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270589 COc1ccc(OC)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C20H21N3O3/c1-12-19(21)23-20(22-12)8-9-26-18-6-4-13(10-16(18)20)15-11-14(24-2)5-7-17(15)25-3/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23) OOCXJKMXIADCPK-UHFFFAOYSA-N 136915 US10231967, Example 5::US8865911, 5::US9918985, Example 5 Beta-secretase 1 Homo sapiens 3640 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384618 249813241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270590 CC1=NC2(CCOc3ccc(cc23)-c2cccc(F)c2F)N=C1N InChI=1S/C18H15F2N3O/c1-10-17(21)23-18(22-10)7-8-24-15-6-5-11(9-13(15)18)12-3-2-4-14(19)16(12)20/h2-6,9H,7-8H2,1H3,(H2,21,23) NMPGDLCHDFBBBC-UHFFFAOYSA-N 136916 US10231967, Example 6::US8865911, 6::US9918985, Example 7 Beta-secretase 1 Homo sapiens 4250 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384619 249813242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270591 CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2C)N=C1N InChI=1S/C20H21N3O/c1-12-4-5-13(2)16(10-12)15-6-7-18-17(11-15)20(8-9-24-18)22-14(3)19(21)23-20/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23) ASTARQOFIHHADR-UHFFFAOYSA-N 136917 US10231967, Example 7::US8865911, 7 Beta-secretase 1 Homo sapiens 6710 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384872 249813243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270592 COc1ccc(F)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-5-3-12(9-15(17)19)14-10-13(20)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23) PVASJWZFVWATEB-UHFFFAOYSA-N 136918 US10231967, Example 8::US8865911, 8::US9918985, Example 8 Beta-secretase 1 Homo sapiens 16300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384874 249813244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270593 COc1cccc(c1F)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C19H18FN3O2/c1-11-18(21)23-19(22-11)8-9-25-15-7-6-12(10-14(15)19)13-4-3-5-16(24-2)17(13)20/h3-7,10H,8-9H2,1-2H3,(H2,21,23) HZUBJQJZQJTUIS-UHFFFAOYSA-N 136919 US10231967, Example 10::US8865911, 9::US9918985, Example 9 Beta-secretase 1 Homo sapiens 1680 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384875 249813245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270594 COc1ccc(C)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C20H21N3O2/c1-12-4-6-17(24-3)15(10-12)14-5-7-18-16(11-14)20(8-9-25-18)22-13(2)19(21)23-20/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23) SVICWOABALJMFD-UHFFFAOYSA-N 136920 US8865911, 10::US9918985, Example 10 Beta-secretase 1 Homo sapiens 6850 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384876 249813246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270595 CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2F)N=C1N InChI=1S/C19H18FN3O/c1-11-3-5-16(20)14(9-11)13-4-6-17-15(10-13)19(7-8-24-17)22-12(2)18(21)23-19/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23) MJCNDWZEGNXOEP-UHFFFAOYSA-N 136921 US10231967, Example 11::US8865911, 11::US9918985, Example 11 Beta-secretase 1 Homo sapiens 1980 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384877 249813247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270596 COc1ccc(F)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-6-3-12(9-15(17)19)14-10-13(24-2)4-5-16(14)20/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23) RSJMUFIUQMEIDV-UHFFFAOYSA-N 136922 US10231967, Example 12::US8865911, 12::US9918985, Example 12 Beta-secretase 1 Homo sapiens 1800 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384878 249813248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270597 CC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)N=C1N InChI=1S/C18H16ClN5O2/c1-10-16(20)24-18(23-10)6-7-26-15-5-3-12(8-13(15)18)22-17(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,24)(H,22,25) ORODGGDDUAZWGL-UHFFFAOYSA-N 136709 US10231967, Example 13a::US8865911, 13a::US9918985, Example 13a Beta-secretase 1 Homo sapiens 1300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385111 249813035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270598 CC1=NC2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)N=C1N InChI=1S/C19H16F3N5O2/c1-10-16(23)27-18(26-10)6-7-29-15-5-3-12(8-13(15)18)25-17(28)14-4-2-11(9-24-14)19(20,21)22/h2-5,8-9H,6-7H2,1H3,(H2,23,27)(H,25,28) QPZBTQGENRPMSI-UHFFFAOYSA-N 136710 US10231967, Example 13c::US8865911, 13c::US9918985, Example 13c Beta-secretase 1 Homo sapiens 1890 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385112 249813036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270599 CC#CCOc1ccc(nc1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C22H21N5O3/c1-3-4-10-29-16-6-7-18(24-13-16)21(28)25-15-5-8-19-17(12-15)22(9-11-30-19)26-14(2)20(23)27-22/h5-8,12-13H,9-11H2,1-2H3,(H2,23,27)(H,25,28) ZTBPTRRMAKYTAR-UHFFFAOYSA-N 136711 US10231967, Example 13d::US8865911, 13d::US9918985, Example 13d Beta-secretase 1 Homo sapiens 112 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385113 249813037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270600 CC#CCOc1cnc(cn1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C21H20N6O3/c1-3-4-8-30-18-12-23-16(11-24-18)20(28)25-14-5-6-17-15(10-14)21(7-9-29-17)26-13(2)19(22)27-21/h5-6,10-12H,7-9H2,1-2H3,(H2,22,27)(H,25,28) LGQYIGQUEVQRCI-UHFFFAOYSA-N 136712 US10231967, Example 13e::US8865911, 13e::US9918985, Example 13e Beta-secretase 1 Homo sapiens 22 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384873 249813038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270601 CC1=NC2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc23)N=C1N InChI=1S/C18H18N4O2S/c1-10-3-6-15(25-10)17(23)20-12-4-5-14-13(9-12)18(7-8-24-14)21-11(2)16(19)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,22)(H,20,23) XUUHWYIFXDEHNF-UHFFFAOYSA-N 136713 US10231967, Example 13f::US8865911, 13f::US9918985, Example 13f Beta-secretase 1 Homo sapiens 6460 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385114 249813039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270602 CC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)N=C1N InChI=1S/C18H15Cl2N5O2/c1-9-16(21)25-18(24-9)4-5-27-14-3-2-11(7-12(14)18)23-17(26)15-13(20)6-10(19)8-22-15/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,23,26) BRXHNDFMYDDAFF-UHFFFAOYSA-N 136714 US10231967, Example 13i::US8865911, 13i::US9918985, Example 13i Beta-secretase 1 Homo sapiens 560 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385115 249813040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270603 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F InChI=1S/C18H20BrF2N3O/c1-10-15(22)24-18(23-10)14-8-12(19)3-2-11(14)9-17(18)6-4-13(5-7-17)25-16(20)21/h2-3,8,13,16H,4-7,9H2,1H3,(H2,22,24) BIODWENPZVUOJQ-UHFFFAOYSA-N 136715 US10231967, Example 15::US8865911, 15::US9918985, Example 15 Beta-secretase 1 Homo sapiens 112 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385116 249813041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270604 CO[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14-,17+,18? NYMXIKPEDWDOQL-AUIFHTJFSA-N 136723 US8865911, 19 Isomer 1 Beta-secretase 1 Homo sapiens 53 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385117 249813049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270605 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14-,17-,18? NYMXIKPEDWDOQL-KSVBBAIVSA-N 136724 US10231967, Example 117::US8865911, 155::US8865911, 19 Isomer 3::US9918985, Example 117 Beta-secretase 1 Homo sapiens 3330 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385117 249813050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270606 COC1CC[C@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 InChI=1S/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/m0/s1 NYMXIKPEDWDOQL-UNWPMLMHSA-N 136725 US10231967, Example 19::US8865911, 156::US8865911, 19 Isomer 2::US9918985, Example 19 Isomer 2 Beta-secretase 1 Homo sapiens 10300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979630 249813051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270607 COC1CC[C@]2(Cc3ccc(Br)cc3[C@]22N=C(C)C(N)=N2)CC1 InChI=1S/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/m1/s1 NYMXIKPEDWDOQL-KNHHTTPFSA-N 136726 US8865911, 19 Isomer 4::US9918985, Example 19 Isomer 3 Beta-secretase 1 Homo sapiens 16600 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979288 249813052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270608 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26? WKDNQONLGXOZRG-HDVKRFLQSA-N 50393099 CHEMBL2152914::US10231967, Example 122::US9918985, Example 122 Beta-secretase 1 Homo sapiens 2.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57404290 163342123 CHEMBL2152914 ZINC95576076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270609 COC1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25-,26-/m0/s1 WKDNQONLGXOZRG-DDZRMCBLSA-N 136733 US8865911, 20a Isomer 1 Beta-secretase 1 Homo sapiens 0.57 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 249813059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270610 COC1CC[C@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25-,26-/m1/s1 WKDNQONLGXOZRG-FLZRTACHSA-N 136734 US8865911, 20a Isomer 2 Beta-secretase 1 Homo sapiens 7720 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979371 249813060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270611 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(ccn2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-10-13-28-23(14-18)19-6-7-20-16-25(11-8-21(31-3)9-12-25)26(22(20)15-19)29-17(2)24(27)30-26/h6-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t21-,25-,26? BHCDFMZEDWIROP-AHQGXOPPSA-N 136736 US10231967, Example 20b::US8865911, 20b::US9918985, Example 20b Beta-secretase 1 Homo sapiens 2.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979403 249813062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270612 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C#N)C#N)CC1 InChI=1S/C26H25N5O/c1-16-24(29)31-26(30-16)23-12-19(21-10-17(14-27)9-18(11-21)15-28)3-4-20(23)13-25(26)7-5-22(32-2)6-8-25/h3-4,9-12,22H,5-8,13H2,1-2H3,(H2,29,31)/t22-,25-,26? BSTQSBRVJGRBPC-HDVKRFLQSA-N 136737 US10231967, Example 20c::US8865911, 20c::US9918985, Example 20c Beta-secretase 1 Homo sapiens 5.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385370 249813063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270613 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? MQWMIBOBCNOFGX-TYRCWPPYSA-N 50393100 CHEMBL2152915::US10231967, Example 125::US9918985, Example 125 Beta-secretase 1 Homo sapiens 1.6 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385371 163342124 CHEMBL2152915 ZINC95573530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270614 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25-/m0/s1 MQWMIBOBCNOFGX-TUSQITKMSA-N 136738 US8865911, 20d Isomer 1 Beta-secretase 1 Homo sapiens 0.63 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979516 249813064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270615 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 InChI=1S/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23? XSPYGYYSPGDIRH-SCTJWGJOSA-N 136739 US10231967, Example 119::US8865911, 20e::US9918985, Example 119 Beta-secretase 1 Homo sapiens 2.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385372 249813065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270616 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 InChI=1S/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23-/m0/s1 XSPYGYYSPGDIRH-VJBMBRPKSA-N 136740 US8865911, 20e Isomer 1 Beta-secretase 1 Homo sapiens 1.1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979364 249813066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270617 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(F)c2)CC1 InChI=1S/C23H25FN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23? IQIVZKLXTXCLSL-SCTJWGJOSA-N 136741 US10231967, Example 20f::US8865911, 20f::US9918985, Example 20f Beta-secretase 1 Homo sapiens 5.5 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385373 249813067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270618 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25? GJVWSAKHBXGRHV-QXONTCKQSA-N 136743 US10231967, Example 20g::US8865911, 20g::US9918985, Example 20g Isomer 1 Beta-secretase 1 Homo sapiens 7.1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385374 249813069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270619 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25-/m0/s1 GJVWSAKHBXGRHV-OPXMRZJTSA-N 136744 US8865911, 20g Isomer 1 Beta-secretase 1 Homo sapiens 2.5 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979470 249813070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270620 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 InChI=1S/C24H31N3O/c1-16-21(25)27-24(26-16)20-14-17(8-11-22(2,3)4)6-7-18(20)15-23(24)12-9-19(28-5)10-13-23/h6-7,14,19H,9-10,12-13,15H2,1-5H3,(H2,25,27)/t19-,23-,24? POIRYFHGYWLALK-AHLJTMJASA-N 136745 US10231967, Example 20h::US8865911, 20h::US8865911, 20h Isomer 1::US8865911, 20h Isomer 2::US9918985, Example 20h Isomer 1 Beta-secretase 1 Homo sapiens 15 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385375 249813071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270621 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 InChI=1S/C24H31N3O/c1-16-21(25)27-24(26-16)20-14-17(8-11-22(2,3)4)6-7-18(20)15-23(24)12-9-19(28-5)10-13-23/h6-7,14,19H,9-10,12-13,15H2,1-5H3,(H2,25,27)/t19-,23-,24? POIRYFHGYWLALK-AHLJTMJASA-N 136745 US10231967, Example 20h::US8865911, 20h::US8865911, 20h Isomer 1::US8865911, 20h Isomer 2::US9918985, Example 20h Isomer 1 Beta-secretase 1 Homo sapiens 1910 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385375 249813071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270622 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 InChI=1S/C24H31N3O/c1-16-21(25)27-24(26-16)20-14-17(8-11-22(2,3)4)6-7-18(20)15-23(24)12-9-19(28-5)10-13-23/h6-7,14,19H,9-10,12-13,15H2,1-5H3,(H2,25,27)/t19-,23-,24? POIRYFHGYWLALK-AHLJTMJASA-N 136745 US10231967, Example 20h::US8865911, 20h::US8865911, 20h Isomer 1::US8865911, 20h Isomer 2::US9918985, Example 20h Isomer 1 Beta-secretase 1 Homo sapiens 21 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385375 249813071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270623 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23? ZTHSMBOBTMQWJX-SCTJWGJOSA-N 50393101 CHEMBL2152916::US10231967, Example 20i::US8865911, 20i::US8865911, 20i Isomer 1::US8865911, 20i Isomer 2::US9918985, Example 20i Isomer 1 Beta-secretase 1 Homo sapiens 4.8 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385625 163342125 CHEMBL2152916 ZINC95580434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270624 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23? ZTHSMBOBTMQWJX-SCTJWGJOSA-N 50393101 CHEMBL2152916::US10231967, Example 20i::US8865911, 20i::US8865911, 20i Isomer 1::US8865911, 20i Isomer 2::US9918985, Example 20i Isomer 1 Beta-secretase 1 Homo sapiens 14500 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385625 163342125 CHEMBL2152916 ZINC95580434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270625 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23? ZTHSMBOBTMQWJX-SCTJWGJOSA-N 50393101 CHEMBL2152916::US10231967, Example 20i::US8865911, 20i::US8865911, 20i Isomer 1::US8865911, 20i Isomer 2::US9918985, Example 20i Isomer 1 Beta-secretase 1 Homo sapiens 2.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385625 163342125 CHEMBL2152916 ZINC95580434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270626 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Br)cn4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H25BrN6O2/c1-13-19(25)30-23(29-13)18-9-16(28-21(31)20-26-11-15(24)12-27-20)4-3-14(18)10-22(23)7-5-17(32-2)6-8-22/h3-4,9,11-12,17H,5-8,10H2,1-2H3,(H2,25,30)(H,28,31)/t17-,22-,23? XDEGBKYUJYVGEV-DRXONWLQSA-N 136750 US10231967, Example 20j::US8865911, 20j::US9918985, Example 20j Beta-secretase 1 Homo sapiens 47 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385626 249813076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270627 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C25H26F3N5O2/c1-14-21(29)33-24(32-14)19-11-17(31-22(34)20-6-4-16(13-30-20)25(26,27)28)5-3-15(19)12-23(24)9-7-18(35-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,29,33)(H,31,34)/t18-,23-,24? OAMAZEDOCLMRJG-SCRAKJMHSA-N 136751 US10231967, Example 20k::US8865911, 20k::US9918985, Example 20k Beta-secretase 1 Homo sapiens 34 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385627 249813077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270628 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4oc5cc(Cl)ccc5c4C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C28H29ClN4O3/c1-15-21-7-5-18(29)12-23(21)36-24(15)26(34)31-19-6-4-17-14-27(10-8-20(35-3)9-11-27)28(22(17)13-19)32-16(2)25(30)33-28/h4-7,12-13,20H,8-11,14H2,1-3H3,(H2,30,33)(H,31,34)/t20-,27-,28? HEZJDRFUHMYWFH-HWAYOUJDSA-N 136752 US10231967, Example 20n::US8865911, 20n::US9918985, Example 20n Beta-secretase 1 Homo sapiens 17 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979793 249813078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270629 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C24H25Cl2N5O2/c1-13-21(27)31-24(30-13)18-10-16(29-22(32)20-19(26)9-15(25)12-28-20)4-3-14(18)11-23(24)7-5-17(33-2)6-8-23/h3-4,9-10,12,17H,5-8,11H2,1-2H3,(H2,27,31)(H,29,32)/t17-,23-,24? ROJZGNGSPMMZLM-CNCCVMFFSA-N 136753 US10231967, Example 20o::US8865911, 20o::US9918985, Example 20o Beta-secretase 1 Homo sapiens 28 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979326 249813079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270630 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C24H26ClN5O2/c1-14-21(26)30-24(29-14)19-11-17(28-22(31)20-6-4-16(25)13-27-20)5-3-15(19)12-23(24)9-7-18(32-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,26,30)(H,28,31)/t18-,23-,24? QQULQSVUDLAXCV-SCRAKJMHSA-N 136754 US10231967, Example 20q::US8865911, 20q::US9918985, Example 20q Beta-secretase 1 Homo sapiens 20 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385630 249813080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270631 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22? BQDUISPSAOQZDJ-JOECNLHFSA-N 50393102 CHEMBL2152917::US10231967, Example 20t::US8865911, 20t::US8865911, 20t Isomer 1::US8865911, 20t Isomer 2::US9918985, Example 20t Isomer 1 Beta-secretase 1 Homo sapiens 20 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385877 163342126 CHEMBL2152917 ZINC95575503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270632 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22? BQDUISPSAOQZDJ-JOECNLHFSA-N 50393102 CHEMBL2152917::US10231967, Example 20t::US8865911, 20t::US8865911, 20t Isomer 1::US8865911, 20t Isomer 2::US9918985, Example 20t Isomer 1 Beta-secretase 1 Homo sapiens 0.89 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385877 163342126 CHEMBL2152917 ZINC95575503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270633 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22? BQDUISPSAOQZDJ-JOECNLHFSA-N 50393102 CHEMBL2152917::US10231967, Example 20t::US8865911, 20t::US8865911, 20t Isomer 1::US8865911, 20t Isomer 2::US9918985, Example 20t Isomer 1 Beta-secretase 1 Homo sapiens 8360 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385877 163342126 CHEMBL2152917 ZINC95575503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270634 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21? JJEORDNWHQBLEW-PRESFXJZSA-N 136761 US10231967, Example 20u::US8865911, 20u::US9000182, 10::US9918985, Example 20u Beta-secretase 1 Homo sapiens 22 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385878 249813087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270635 CO[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H28FN3O2/c1-14-19(23)25-21(24-14)18-12-17(27-11-3-10-22)5-4-15(18)13-20(21)8-6-16(26-2)7-9-20/h4-5,12,16H,3,6-11,13H2,1-2H3,(H2,23,25)/t16-,20-,21? HKXVZYVBKHNCOB-KTSKVTQQSA-N 136765 US10231967, Example 20v::US8865911, 20v::US9918985, Example 20v Beta-secretase 1 Homo sapiens 25 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385879 249813091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270636 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C25H28ClN5O2/c1-14-10-17(26)13-28-21(14)23(32)29-18-5-4-16-12-24(8-6-19(33-3)7-9-24)25(20(16)11-18)30-15(2)22(27)31-25/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,27,31)(H,29,32)/t19-,24-,25? LUDSHWAKEHVLGG-SSEMJGATSA-N 136766 US10231967, Example 20w::US8865911, 20w::US9918985, Example 20w Beta-secretase 1 Homo sapiens 18 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386413 249813092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270637 CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(F)cn4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C24H26FN5O2/c1-14-21(26)30-24(29-14)19-11-17(28-22(31)20-6-4-16(25)13-27-20)5-3-15(19)12-23(24)9-7-18(32-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,26,30)(H,28,31)/t18-,23-,24? XGZLGNFGLZOBER-SCRAKJMHSA-N 136767 US10231967, Example 20x::US8865911, 20x::US9918985, Example 20x Beta-secretase 1 Homo sapiens 121 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386414 249813093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270638 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-21-14-19(10-13-28-21)18-6-7-20-16-25(11-8-22(31-3)9-12-25)26(23(20)15-18)29-17(2)24(27)30-26/h6-7,10,13-15,22H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t22-,25-,26? GHKDKBMFJNPSBF-HDVKRFLQSA-N 136768 US10231967, Example 20y::US8865911, 20y::US9918985, Example 20y Beta-secretase 1 Homo sapiens 4.9 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979611 249813094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270639 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 InChI=1S/C27H29N3O/c1-4-6-19-7-5-8-20(15-19)21-9-10-22-17-26(13-11-23(31-3)12-14-26)27(24(22)16-21)29-18(2)25(28)30-27/h5,7-10,15-16,23H,11-14,17H2,1-3H3,(H2,28,30)/t23-,26-,27? YNWCSWFGCSURHN-HAOYJSTOSA-N 50393103 CHEMBL2151058::US10231967, Example 20z::US9918985, Example 20z Beta-secretase 1 Homo sapiens 1.4 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979424 163342127 CHEMBL2151058 ZINC95571879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270640 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 InChI=1S/C23H25BrN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23? UMCUVZSSUIPNCL-SCTJWGJOSA-N 50393104 CHEMBL2152918::US10231967, Example 20aa::US9918985, Example 20aa Beta-secretase 1 Homo sapiens 1.6 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979331 163342128 CHEMBL2152918 ZINC95576581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270641 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCOCC1 InChI=1S/C16H18BrN3O/c1-10-14(18)20-16(19-10)13-8-12(17)3-2-11(13)9-15(16)4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,18,20) OQJQQWGZYQBQJI-UHFFFAOYSA-N 136772 US10231967, Example 25::US8865911, 25::US9918985, Example 25 Beta-secretase 1 Homo sapiens 7530 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385880 249813098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270642 CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(Cl)c1 InChI=1S/C22H22ClN3O/c1-14-20(24)26-22(25-14)19-12-16(15-3-2-4-18(23)11-15)5-6-17(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,26) XUWDIJDGYAIURP-UHFFFAOYSA-N 136773 US10231967, Example 26a::US8865911, 26a::US9918985, Example 26a Beta-secretase 1 Homo sapiens 100 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979361 249813099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270643 CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1ccc(F)c(Cl)c1 InChI=1S/C22H21ClFN3O/c1-13-20(25)27-22(26-13)17-10-14(15-4-5-19(24)18(23)11-15)2-3-16(17)12-21(22)6-8-28-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H2,25,27) YUFMOSSQCPKPCP-UHFFFAOYSA-N 136774 US10231967, Example 26c::US8865911, 26c::US9918985, Example 26c Beta-secretase 1 Homo sapiens 145 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385882 249813100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270644 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 InChI=1S/C17H18BrF2N3/c1-10-14(21)23-17(22-10)13-8-12(18)3-2-11(13)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,21,23) SXMJPJIGFLAOJZ-UHFFFAOYSA-N 136778 US10231967, Example 27::US8865911, 27::US9918985, Example 27 Beta-secretase 1 Homo sapiens 1760 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385883 249813104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270645 CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cncc(Cl)c1 InChI=1S/C22H21ClF2N4/c1-13-19(26)29-22(28-13)18-9-14(16-8-17(23)12-27-11-16)2-3-15(18)10-20(22)4-6-21(24,25)7-5-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H2,26,29) QYVNHRYCOVFLFE-UHFFFAOYSA-N 136779 US10231967, Example 28c::US8865911, 28c::US9918985, Example 28c Beta-secretase 1 Homo sapiens 53 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386149 249813105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267798 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccco2)c1 InChI=1S/C16H17N3O3/c1-16(10-21-9-14(17)19-16)11-4-2-5-12(8-11)18-15(20)13-6-3-7-22-13/h2-8H,9-10H2,1H3,(H2,17,19)(H,18,20) FQFLVGMKEDQOGB-UHFFFAOYSA-N 134291 US8846658, 1 Beta-secretase 1 Homo sapiens 1300 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913657 242657566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267799 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23) HALWMQVNBCAXRZ-UHFFFAOYSA-N 134292 US8846658, 2 Beta-secretase 1 Homo sapiens 140 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search D9W 6FGY 50913658 242657567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267800 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 HALWMQVNBCAXRZ-KRWDZBQOSA-N 134293 US8846658, 3 Beta-secretase 1 Homo sapiens 70 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search D9W 6FGY 50913659 242657568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267801 C[C@@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m1/s1 HALWMQVNBCAXRZ-QGZVFWFLSA-N 134294 US8846658, 4 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913660 242657569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267802 Cc1nc(co1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C16H18N4O3/c1-10-18-13(7-23-10)15(21)19-12-5-3-4-11(6-12)16(2)9-22-8-14(17)20-16/h3-7H,8-9H2,1-2H3,(H2,17,20)(H,19,21) YGNQIPLXHYPNNV-UHFFFAOYSA-N 134295 US8846658, 5 Beta-secretase 1 Homo sapiens 640 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913802 242657570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267803 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C17H19N5O2/c1-11-7-20-14(8-19-11)16(23)21-13-5-3-4-12(6-13)17(2)10-24-9-15(18)22-17/h3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23) KWLPFPXHUOTAAV-UHFFFAOYSA-N 134296 US8846658, 6 Beta-secretase 1 Homo sapiens 4700 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913803 242657571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267804 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncc(Br)cn2)c1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)10-3-2-4-12(5-10)21-15(23)14-19-6-11(17)7-20-14/h2-7H,8-9H2,1H3,(H2,18,22)(H,21,23) SDRFKEHYIFLRFI-UHFFFAOYSA-N 134297 US8846658, 7 Beta-secretase 1 Homo sapiens 540 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913804 242657572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267805 CC1(COCC(N)=N1)c1cccc(NC(=O)c2cn3ccccc3n2)c1 InChI=1S/C19H19N5O2/c1-19(12-26-11-16(20)23-19)13-5-4-6-14(9-13)21-18(25)15-10-24-8-3-2-7-17(24)22-15/h2-10H,11-12H2,1H3,(H2,20,23)(H,21,25) ZWMZTUXDXPWHKA-UHFFFAOYSA-N 134298 US8846658, 8 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913805 242657573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267806 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncccc2F)c1 InChI=1S/C17H17FN4O2/c1-17(10-24-9-14(19)22-17)11-4-2-5-12(8-11)21-16(23)15-13(18)6-3-7-20-15/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23) NSQDLDKQMKWWRH-UHFFFAOYSA-N 134299 US8846658, 9 Beta-secretase 1 Homo sapiens 2300 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913806 242657574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267807 Cc1nc(C(=O)Nc2cccc(c2)C2(C)COCC(N)=N2)c(C)o1 InChI=1S/C17H20N4O3/c1-10-15(19-11(2)24-10)16(22)20-13-6-4-5-12(7-13)17(3)9-23-8-14(18)21-17/h4-7H,8-9H2,1-3H3,(H2,18,21)(H,20,22) VAOTVYMHOSSUGC-UHFFFAOYSA-N 134300 US8846658, 10 Beta-secretase 1 Homo sapiens 590 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913807 242657575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267808 Cc1nc(cs1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C16H18N4O2S/c1-10-18-13(8-23-10)15(21)19-12-5-3-4-11(6-12)16(2)9-22-7-14(17)20-16/h3-6,8H,7,9H2,1-2H3,(H2,17,20)(H,19,21) NXPMSJJJEIMDON-UHFFFAOYSA-N 134301 US8846658, 11 Beta-secretase 1 Homo sapiens 3800 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913946 242657576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267809 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(O)nn2)c1 InChI=1S/C16H17N5O3/c1-16(9-24-8-13(17)19-16)10-3-2-4-11(7-10)18-15(23)12-5-6-14(22)21-20-12/h2-7H,8-9H2,1H3,(H2,17,19)(H,18,23)(H,21,22) HERLEGFVQLSJDB-UHFFFAOYSA-N 134302 US8846658, 12 Beta-secretase 1 Homo sapiens 850 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913947 242657577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267810 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccccn2)c1 InChI=1S/C17H18N4O2/c1-17(11-23-10-15(18)21-17)12-5-4-6-13(9-12)20-16(22)14-7-2-3-8-19-14/h2-9H,10-11H2,1H3,(H2,18,21)(H,20,22) FFUNHRRXZYUZCU-UHFFFAOYSA-N 134303 US8846658, 13 Beta-secretase 1 Homo sapiens 3400 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913948 242657578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267811 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C18H17N5O2/c1-18(11-25-10-16(20)23-18)13-3-2-4-14(7-13)22-17(24)15-6-5-12(8-19)9-21-15/h2-7,9H,10-11H2,1H3,(H2,20,23)(H,22,24) PVDUHQIYHKAWGX-UHFFFAOYSA-N 134304 US8846658, 14 Beta-secretase 1 Homo sapiens 160 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913950 242657579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267812 CC1(COCC(N)=N1)c1cccc(NC(=O)c2cnc(cn2)-n2ccc(n2)C(F)(F)F)c1 InChI=1S/C20H18F3N7O2/c1-19(11-32-10-16(24)28-19)12-3-2-4-13(7-12)27-18(31)14-8-26-17(9-25-14)30-6-5-15(29-30)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,28)(H,27,31) ZLPSIWKLMGIZEM-UHFFFAOYSA-N 134305 US8846658, 15 Beta-secretase 1 Homo sapiens 9100 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913951 242657580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267813 Cc1ccn(n1)-c1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C20H21N7O2/c1-13-6-7-27(26-13)18-10-22-16(9-23-18)19(28)24-15-5-3-4-14(8-15)20(2)12-29-11-17(21)25-20/h3-10H,11-12H2,1-2H3,(H2,21,25)(H,24,28) VOTXALWSGSHBMR-UHFFFAOYSA-N 134306 US8846658, 16 Beta-secretase 1 Homo sapiens 9200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913949 242657581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267814 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 InChI=1S/C18H16ClF3N4O2/c1-17(9-28-8-14(23)26-17)10-3-2-4-12(5-10)25-16(27)15-13(19)6-11(7-24-15)18(20,21)22/h2-7H,8-9H2,1H3,(H2,23,26)(H,25,27) SDYYCLKSRHASQS-UHFFFAOYSA-N 134307 US8846658, 17 Beta-secretase 1 Homo sapiens 400 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913952 242657582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267815 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C17H19N5O3/c1-17(10-25-9-14(18)22-17)11-4-3-5-12(6-11)21-16(23)13-7-20-15(24-2)8-19-13/h3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23) USQWUZBMLRCKEY-UHFFFAOYSA-N 134308 US8846658, 18 Beta-secretase 1 Homo sapiens 560 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914098 242657583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267816 CC1(COCC(N)=N1)c1cccc(NC(=O)c2cnc(O)cn2)c1 InChI=1S/C16H17N5O3/c1-16(9-24-8-13(17)21-16)10-3-2-4-11(5-10)20-15(23)12-6-19-14(22)7-18-12/h2-7H,8-9H2,1H3,(H2,17,21)(H,19,22)(H,20,23) NEVZUGJJPYBOQE-UHFFFAOYSA-N 134309 US8846658, 19 Beta-secretase 1 Homo sapiens 2000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914100 242657584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267817 CC1(COCC(N)=N1)c1cccc(NC(=O)c2cc(Br)co2)c1 InChI=1S/C16H16BrN3O3/c1-16(9-22-8-14(18)20-16)10-3-2-4-12(5-10)19-15(21)13-6-11(17)7-23-13/h2-7H,8-9H2,1H3,(H2,18,20)(H,19,21) CLRSFVMIVMUEJA-UHFFFAOYSA-N 134310 US8846658, 20 Beta-secretase 1 Homo sapiens 350 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914099 242657585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267818 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H17ClN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23) ZZUPAAPYPBQGKS-UHFFFAOYSA-N 50012649 CHEMBL3261063 Beta-secretase 1 Homo sapiens 240 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52K 5CLM 50914101 103924902 CHEMBL3261063 ZINC29411411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267819 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C18H17F3N4O2/c1-17(10-27-9-15(22)25-17)11-3-2-4-13(7-11)24-16(26)14-6-5-12(8-23-14)18(19,20)21/h2-8H,9-10H2,1H3,(H2,22,25)(H,24,26) VZIVJCUBWLYNSB-UHFFFAOYSA-N 134311 US8846658, 22 Beta-secretase 1 Homo sapiens 420 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914102 242657586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267820 CC1(COCC(N)=N1)c1cccc(NC(=O)c2coc(c2)C(F)(F)F)c1 InChI=1S/C17H16F3N3O3/c1-16(9-25-8-14(21)23-16)11-3-2-4-12(6-11)22-15(24)10-5-13(26-7-10)17(18,19)20/h2-7H,8-9H2,1H3,(H2,21,23)(H,22,24) DKIJRIQOWUZUFU-UHFFFAOYSA-N 134312 US8846658, 23 Beta-secretase 1 Homo sapiens 11000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914103 242657587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267821 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 InChI=1S/C18H18BrN3O2/c1-18(11-24-10-16(20)22-18)13-3-2-4-15(9-13)21-17(23)12-5-7-14(19)8-6-12/h2-9H,10-11H2,1H3,(H2,20,22)(H,21,23) OSXUMSQYXNHEJV-UHFFFAOYSA-N 134313 US8846658, 24 Beta-secretase 1 Homo sapiens 970 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914104 242657588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267822 CC1(COCC(N)=N1)c1cccc(NC(=O)C2CCCCC2)c1 InChI=1S/C18H25N3O2/c1-18(12-23-11-16(19)21-18)14-8-5-9-15(10-14)20-17(22)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11-12H2,1H3,(H2,19,21)(H,20,22) PDHHJYGLWOXDCA-UHFFFAOYSA-N 134314 US8846658, 25 Beta-secretase 1 Homo sapiens >130000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118860 242657589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267823 CC1(COCC(N)=N1)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 InChI=1S/C18H23F2N3O2/c1-17(11-25-10-15(21)23-17)13-3-2-4-14(9-13)22-16(24)12-5-7-18(19,20)8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H2,21,23)(H,22,24) UQWORNKFBSCKMK-UHFFFAOYSA-N 134315 US8846658, 26 Beta-secretase 1 Homo sapiens >130000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118867 242657590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267824 Cc1ccc(nc1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C18H20N4O2/c1-12-6-7-15(20-9-12)17(23)21-14-5-3-4-13(8-14)18(2)11-24-10-16(19)22-18/h3-9H,10-11H2,1-2H3,(H2,19,22)(H,21,23) WBJSDDKRXQAZRI-UHFFFAOYSA-N 134316 US8846658, 27 Beta-secretase 1 Homo sapiens 1400 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914251 242657591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267825 CC1(COCC(N)=N1)c1cccc(NC(=O)c2cccnc2)c1 InChI=1S/C17H18N4O2/c1-17(11-23-10-15(18)21-17)13-5-2-6-14(8-13)20-16(22)12-4-3-7-19-9-12/h2-9H,10-11H2,1H3,(H2,18,21)(H,20,22) ONXPSTRUSLRMOR-UHFFFAOYSA-N 134317 US8846658, 28 Beta-secretase 1 Homo sapiens 60000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914252 242657592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267826 Cc1cc(Br)cnc1C(=O)Nc1cccc(c1)[C@]1(C)COCC(=N)N1 InChI=1S/C18H19BrN4O2/c1-11-6-13(19)8-21-16(11)17(24)22-14-5-3-4-12(7-14)18(2)10-25-9-15(20)23-18/h3-8H,9-10H2,1-2H3,(H2,20,23)(H,22,24)/t18-/m0/s1 OZEVKAHYVCDJGB-SFHVURJKSA-N 134318 US8846658, 29 Beta-secretase 1 Homo sapiens 56 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914253 242657593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267827 COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C18H20N4O3/c1-18(11-25-10-16(19)22-18)12-4-3-5-13(8-12)21-17(23)15-7-6-14(24-2)9-20-15/h3-9H,10-11H2,1-2H3,(H2,19,22)(H,21,23)/t18-/m0/s1 OPELDBZJLLBNMM-SFHVURJKSA-N 134319 US8846658, 30 Beta-secretase 1 Homo sapiens 330 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914254 242657594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267828 NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H16BrFN4O2/c18-12-4-5-14(21-7-12)16(24)22-13-3-1-2-11(6-13)17(9-19)10-25-8-15(20)23-17/h1-7H,8-10H2,(H2,20,23)(H,22,24) GWTUALKYCOKUGL-UHFFFAOYSA-N 134320 US8846658, 31 Beta-secretase 1 Homo sapiens 160 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118817 242657595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267829 NC1=NC(CF)(COC1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H15BrClFN4O2/c18-11-1-2-14(22-6-11)16(25)23-13-4-10(3-12(19)5-13)17(8-20)9-26-7-15(21)24-17/h1-6H,7-9H2,(H2,21,24)(H,23,25) JJQHTKPHTUVZAN-UHFFFAOYSA-N 134321 US8846658, 32 Beta-secretase 1 Homo sapiens 1400 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914256 242657596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267830 NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H16BrFN4O2/c18-12-4-5-14(21-7-12)16(24)22-13-3-1-2-11(6-13)17(9-19)10-25-8-15(20)23-17/h1-7H,8-10H2,(H2,20,23)(H,22,24)/t17-/m0/s1 GWTUALKYCOKUGL-KRWDZBQOSA-N 134322 US8846658, 33 Beta-secretase 1 Homo sapiens 130 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914255 242657597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267831 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H15BrF2N4O2/c18-11-4-5-13(22-7-11)15(25)23-12-3-1-2-10(6-12)17(16(19)20)9-26-8-14(21)24-17/h1-7,16H,8-9H2,(H2,21,24)(H,23,25) ICJYNQVYBWGPSY-UHFFFAOYSA-N 134323 US8846658, 34 Beta-secretase 1 Homo sapiens 560 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914257 242657598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267832 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H15ClF2N4O2/c18-11-4-5-13(22-7-11)15(25)23-12-3-1-2-10(6-12)17(16(19)20)9-26-8-14(21)24-17/h1-7,16H,8-9H2,(H2,21,24)(H,23,25) HCATWODWZYGFTA-UHFFFAOYSA-N 50012651 CHEMBL3261065 Beta-secretase 1 Homo sapiens 300 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914398 103924904 CHEMBL3261065 ZINC29466817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267833 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C18H15F2N5O2/c19-17(20)18(10-27-9-15(22)25-18)12-2-1-3-13(6-12)24-16(26)14-5-4-11(7-21)8-23-14/h1-6,8,17H,9-10H2,(H2,22,25)(H,24,26) UEQKQBJMYJQCGH-UHFFFAOYSA-N 134324 US8846658, 36 Beta-secretase 1 Homo sapiens 350 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914399 242657599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267834 Cc1cc(Br)cnc1C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C18H17BrF2N4O2/c1-10-5-12(19)7-23-15(10)16(26)24-13-4-2-3-11(6-13)18(17(20)21)9-27-8-14(22)25-18/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26) IEHQAHFMCOEDIU-UHFFFAOYSA-N 134325 US8846658, 37 Beta-secretase 1 Homo sapiens 120 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914400 242657600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267835 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C17H17F2N5O2/c1-10-6-22-13(7-21-10)15(25)23-12-4-2-3-11(5-12)17(16(18)19)9-26-8-14(20)24-17/h2-7,16H,8-9H2,1H3,(H2,20,24)(H,23,25) OICGRZJIBVPJPN-UHFFFAOYSA-N 134326 US8846658, 38 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914401 242657601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267836 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C18H15F5N4O2/c19-16(20)17(9-29-8-14(24)27-17)10-2-1-3-12(6-10)26-15(28)13-5-4-11(7-25-13)18(21,22)23/h1-7,16H,8-9H2,(H2,24,27)(H,26,28) UPWBBCVLDKVJAK-UHFFFAOYSA-N 134327 US8846658, 39 Beta-secretase 1 Homo sapiens 780 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914402 242657602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267837 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 InChI=1S/C18H14ClF5N4O2/c19-12-5-10(18(22,23)24)6-26-14(12)15(29)27-11-3-1-2-9(4-11)17(16(20)21)8-30-7-13(25)28-17/h1-6,16H,7-8H2,(H2,25,28)(H,27,29) TUIVXRVANQYRAV-UHFFFAOYSA-N 134328 US8846658, 40 Beta-secretase 1 Homo sapiens 1000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914403 242657603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267838 Cc1cc(Cl)cnc1C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C18H17ClF2N4O2/c1-10-5-12(19)7-23-15(10)16(26)24-13-4-2-3-11(6-13)18(17(20)21)9-27-8-14(22)25-18/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26) RMXOZKMRPLQRQJ-UHFFFAOYSA-N 134329 US8846658, 41 Beta-secretase 1 Homo sapiens 350 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914404 242657604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270646 CC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1 InChI=1S/C23H22ClF2N5O/c1-13-19(27)31-23(30-13)17-10-16(29-20(32)18-5-3-15(24)12-28-18)4-2-14(17)11-21(23)6-8-22(25,26)9-7-21/h2-5,10,12H,6-9,11H2,1H3,(H2,27,31)(H,29,32) HODYOYXOWRKLLU-UHFFFAOYSA-N 136781 US10231967, Example 28d::US8865911, 28d::US9918985, Example 28d Beta-secretase 1 Homo sapiens 408 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979524 249813107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270647 CC#Cc1cncc(c1)-c1ccc2CC3(CCC(F)(F)CC3)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C25H24F2N4/c1-3-4-17-11-20(15-29-14-17)18-5-6-19-13-23(7-9-24(26,27)10-8-23)25(21(19)12-18)30-16(2)22(28)31-25/h5-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,28,31) HJMCUUCUCMHIEU-UHFFFAOYSA-N 136782 US10231967, Example 28h::US8865911, 28h::US9918985, Example 28h Beta-secretase 1 Homo sapiens 7.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979372 249813108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270648 COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1 InChI=1S/C17H20BrN3O2/c1-10-15(19)21-17(20-10)13-9-11(18)3-4-14(13)23-16(17)7-5-12(22-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3,(H2,19,21) JCRQLFDPHZWIEQ-UHFFFAOYSA-N 136786 US10231967, Example 29::US8865911, 29::US9918985, Example 29 Beta-secretase 1 Homo sapiens 674 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979552 249813112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270649 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cccc(Cl)c1 InChI=1S/C23H24ClN3O2/c1-14-21(25)27-23(26-14)19-13-16(15-4-3-5-17(24)12-15)6-7-20(19)29-22(23)10-8-18(28-2)9-11-22/h3-7,12-13,18H,8-11H2,1-2H3,(H2,25,27) GYYFFSAIGLHSCV-UHFFFAOYSA-N 136787 US10231967, Example 30c::US8865911, 30b::US9918985, Example 30b Beta-secretase 1 Homo sapiens 5.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979363 249813113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270650 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 InChI=1S/C22H23ClN4O2/c1-13-20(24)27-22(26-13)18-10-14(15-9-16(23)12-25-11-15)3-4-19(18)29-21(22)7-5-17(28-2)6-8-21/h3-4,9-12,17H,5-8H2,1-2H3,(H2,24,27) RVZQCFAUGDSGAA-UHFFFAOYSA-N 136788 US10231967, Example 30d::US8865911, 30d::US9918985, Example 30d Beta-secretase 1 Homo sapiens 5.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979632 249813114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270651 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC InChI=1S/C25H26N4O2/c1-4-5-17-12-19(15-27-14-17)18-6-7-22-21(13-18)25(28-16(2)23(26)29-25)24(31-22)10-8-20(30-3)9-11-24/h6-7,12-15,20H,8-11H2,1-3H3,(H2,26,29) OIEDCASQCHKJPE-UHFFFAOYSA-N 136789 US8865911, 30c::US9918985, Example 30e Beta-secretase 1 Homo sapiens 1.4 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979392 249813115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270652 CC1=NC2(CC3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N InChI=1S/C22H22ClN3O2/c1-14-20(24)26-22(25-14)12-21(8-3-9-27-13-21)28-19-7-6-16(11-18(19)22)15-4-2-5-17(23)10-15/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H2,24,26) NDUICAHCFCQKCR-UHFFFAOYSA-N 136794 US8865911, 46a Isomer 1::US8865911, 46a Isomer 2 Beta-secretase 1 Homo sapiens 124 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386153 249813120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270653 CC1=NC2(CC3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N InChI=1S/C22H22ClN3O2/c1-14-20(24)26-22(25-14)12-21(8-3-9-27-13-21)28-19-7-6-16(11-18(19)22)15-4-2-5-17(23)10-15/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H2,24,26) NDUICAHCFCQKCR-UHFFFAOYSA-N 136794 US8865911, 46a Isomer 1::US8865911, 46a Isomer 2 Beta-secretase 1 Homo sapiens 91 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386153 249813120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270654 CC1=NC2(CC3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N InChI=1S/C22H21ClFN3O2/c1-13-20(25)27-22(26-13)11-21(7-2-8-28-12-21)29-19-6-4-14(9-16(19)22)15-3-5-18(24)17(23)10-15/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,25,27) AMESWUXBYLEHJV-UHFFFAOYSA-N 136795 US8865911, 46b Isomer 1::US8865911, 46b Isomer 2 Beta-secretase 1 Homo sapiens 180 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386154 249813121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270655 CC1=NC2(CC3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N InChI=1S/C22H21ClFN3O2/c1-13-20(25)27-22(26-13)11-21(7-2-8-28-12-21)29-19-6-4-14(9-16(19)22)15-3-5-18(24)17(23)10-15/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,25,27) AMESWUXBYLEHJV-UHFFFAOYSA-N 136795 US8865911, 46b Isomer 1::US8865911, 46b Isomer 2 Beta-secretase 1 Homo sapiens 147 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386154 249813121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270656 CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCCOC2)N=C1N InChI=1S/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21) ONKRKKQEVGYQDK-UHFFFAOYSA-N 136798 US8865911, 47 Isomer 2::US8865911, 47 Isomer 4::US8865911, 47 Isomer 5::US8865911, 47 Isomer 6::US8865911, 47 Isomer 8 Beta-secretase 1 Homo sapiens 1030 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386155 249813124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270657 CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCCOC2)N=C1N InChI=1S/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21) ONKRKKQEVGYQDK-UHFFFAOYSA-N 136798 US8865911, 47 Isomer 2::US8865911, 47 Isomer 4::US8865911, 47 Isomer 5::US8865911, 47 Isomer 6::US8865911, 47 Isomer 8 Beta-secretase 1 Homo sapiens 65300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386155 249813124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270658 CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCCOC2)N=C1N InChI=1S/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21) ONKRKKQEVGYQDK-UHFFFAOYSA-N 136798 US8865911, 47 Isomer 2::US8865911, 47 Isomer 4::US8865911, 47 Isomer 5::US8865911, 47 Isomer 6::US8865911, 47 Isomer 8 Beta-secretase 1 Homo sapiens 19800 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386155 249813124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270659 CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCCOC2)N=C1N InChI=1S/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21) ONKRKKQEVGYQDK-UHFFFAOYSA-N 136798 US8865911, 47 Isomer 2::US8865911, 47 Isomer 4::US8865911, 47 Isomer 5::US8865911, 47 Isomer 6::US8865911, 47 Isomer 8 Beta-secretase 1 Homo sapiens 1380 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386155 249813124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270660 CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCCOC2)N=C1N InChI=1S/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21) ONKRKKQEVGYQDK-UHFFFAOYSA-N 136798 US8865911, 47 Isomer 2::US8865911, 47 Isomer 4::US8865911, 47 Isomer 5::US8865911, 47 Isomer 6::US8865911, 47 Isomer 8 Beta-secretase 1 Homo sapiens 8100 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386155 249813124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270661 CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27) MWVBEWBNSOHPSD-UHFFFAOYSA-N 136799 US8865911, 48 Isomer 1::US8865911, 48 Isomer 3::US8865911, 48 Isomer 5::US8865911, 48 Isomer 6 Beta-secretase 1 Homo sapiens 0.7 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386410 249813125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270662 CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23-/m1/s1 MWVBEWBNSOHPSD-FRGLQRNOSA-N 136800 US10231967, Example 48-Isomer-5::US8865911, 48 Isomer 2::US9918985, Example 48 Isomer 1 Beta-secretase 1 Homo sapiens 2030 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979698 249813126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270663 CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27) MWVBEWBNSOHPSD-UHFFFAOYSA-N 136799 US8865911, 48 Isomer 1::US8865911, 48 Isomer 3::US8865911, 48 Isomer 5::US8865911, 48 Isomer 6 Beta-secretase 1 Homo sapiens 7040 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386410 249813125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270664 CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23+/m0/s1 MWVBEWBNSOHPSD-AMHTUMDSSA-N 136801 US10231967, Example 48-Isomer-8::US8865911, 48 Isomer 4::US9918985, Example 48 Isomer 4 Beta-secretase 1 Homo sapiens 803 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68078061 249813127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270665 CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27) MWVBEWBNSOHPSD-UHFFFAOYSA-N 136799 US8865911, 48 Isomer 1::US8865911, 48 Isomer 3::US8865911, 48 Isomer 5::US8865911, 48 Isomer 6 Beta-secretase 1 Homo sapiens 35700 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386410 249813125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270666 CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27) MWVBEWBNSOHPSD-UHFFFAOYSA-N 136799 US8865911, 48 Isomer 1::US8865911, 48 Isomer 3::US8865911, 48 Isomer 5::US8865911, 48 Isomer 6 Beta-secretase 1 Homo sapiens 2570 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386410 249813125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270667 CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21-,23-/m1/s1 MWVBEWBNSOHPSD-ODOSVJCGSA-N 136802 US10231967, Example 48-Isomer-7::US8865911, 48 Isomer 7::US9918985, Example 48 Isomer 3 Beta-secretase 1 Homo sapiens 10 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68077190 249813128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270668 CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21-,23+/m0/s1 MWVBEWBNSOHPSD-JWNTYJGQSA-N 136803 US10231967, Example 48-Isomer-6::US8865911, 48 Isomer 8::US9918985, Example 48 Isomer 2 Beta-secretase 1 Homo sapiens 14 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68077192 249813129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270669 CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCOC(C)(C)C2)N=C1N InChI=1S/C19H24BrN3O2/c1-11-17(21)23-19(22-11)10-16(12-6-7-24-18(2,3)9-12)25-15-5-4-13(20)8-14(15)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3,(H2,21,23) IBGZXUPONLUVLS-UHFFFAOYSA-N 136806 US10231967, Example 49::US8865911, 49 Isomeric mixture 1::US9918985, Example 49 Beta-secretase 1 Homo sapiens 10 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386411 249813132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270670 CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCOC(C)(C)C2)N=C1N InChI=1S/C25H28ClN3O2/c1-15-23(27)29-25(28-15)14-22(18-9-10-30-24(2,3)13-18)31-21-8-7-17(12-20(21)25)16-5-4-6-19(26)11-16/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3,(H2,27,29) PNGMSULGCSIWPT-UHFFFAOYSA-N 136807 US10231967, Example 50-Isomeric-mixture-2::US8865911, 50 Isomeric mixture 1::US8865911, 50 Isomeric mixture 2::US9918985, Example 50 Beta-secretase 1 Homo sapiens 100 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386412 249813133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270671 CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCOC(C)(C)C2)N=C1N InChI=1S/C25H28ClN3O2/c1-15-23(27)29-25(28-15)14-22(18-9-10-30-24(2,3)13-18)31-21-8-7-17(12-20(21)25)16-5-4-6-19(26)11-16/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3,(H2,27,29) PNGMSULGCSIWPT-UHFFFAOYSA-N 136807 US10231967, Example 50-Isomeric-mixture-2::US8865911, 50 Isomeric mixture 1::US8865911, 50 Isomeric mixture 2::US9918985, Example 50 Beta-secretase 1 Homo sapiens 5 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386412 249813133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270672 CC1=NC2(CCCc3ccc(Br)cc23)N=C1N InChI=1S/C13H14BrN3/c1-8-12(15)17-13(16-8)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7H,2-3,6H2,1H3,(H2,15,17) QNHHDQXBRHSEHK-UHFFFAOYSA-N 136808 US10231967, Example 51::US8865911, 239::US8865911, 51::US9918985, Example 51 Beta-secretase 1 Homo sapiens 75600 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386415 249813134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270673 CC1=NC2(CCCc3ccc(cc23)-c2cncc(Cl)c2)N=C1N InChI=1S/C18H17ClN4/c1-11-17(20)23-18(22-11)6-2-3-12-4-5-13(8-16(12)18)14-7-15(19)10-21-9-14/h4-5,7-10H,2-3,6H2,1H3,(H2,20,23) ULLKDRHZBXMQBC-UHFFFAOYSA-N 136813 US10231967, Example 52::US8865911, 52::US9918985, Example 52 Beta-secretase 1 Homo sapiens 325 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386416 249813139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270674 CC#Cc1cncc(c1)-c1ccc2CCCC3(N=C(C)C(N)=N3)c2c1 InChI=1S/C21H20N4/c1-3-5-15-10-18(13-23-12-15)17-8-7-16-6-4-9-21(19(16)11-17)24-14(2)20(22)25-21/h7-8,10-13H,4,6,9H2,1-2H3,(H2,22,25) YTTGJOLKFFUHCP-UHFFFAOYSA-N 136814 US10231967, Example 53::US8865911, 53::US9918985, Example 53 Beta-secretase 1 Homo sapiens 62 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386665 249813140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270675 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1 InChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-7-11(16)4-3-10(12)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H2,17,19) VPPGDUMXGIDOQT-UHFFFAOYSA-N 136818 US10231967, Example 54::US8865911, 54::US9918985, Example 54 Beta-secretase 1 Homo sapiens 6610 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386666 249813144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270676 CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)-c1cncc(Cl)c1 InChI=1S/C20H19ClN4/c1-12-18(22)25-20(24-12)17-8-13(15-7-16(21)11-23-10-15)3-4-14(17)9-19(20)5-2-6-19/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H2,22,25) MKLSHCVZEOAEFB-UHFFFAOYSA-N 136819 US10231967, Example 55::US8865911, 55::US9918985, Example 55 Beta-secretase 1 Homo sapiens 284 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386667 249813145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270677 CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C23H22N4/c1-3-5-16-10-19(14-25-13-16)17-6-7-18-12-22(8-4-9-22)23(20(18)11-17)26-15(2)21(24)27-23/h6-7,10-11,13-14H,4,8-9,12H2,1-2H3,(H2,24,27) GEFZXXPGNGYLMH-UHFFFAOYSA-N 136820 US10231967, Example 56::US8865911, 56::US8865911, 57 Isomer 1::US8865911, 57 Isomer 2::US9918985, Example 56 Beta-secretase 1 Homo sapiens 31 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386668 249813146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270678 CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C23H22N4/c1-3-5-16-10-19(14-25-13-16)17-6-7-18-12-22(8-4-9-22)23(20(18)11-17)26-15(2)21(24)27-23/h6-7,10-11,13-14H,4,8-9,12H2,1-2H3,(H2,24,27) GEFZXXPGNGYLMH-UHFFFAOYSA-N 136820 US10231967, Example 56::US8865911, 56::US8865911, 57 Isomer 1::US8865911, 57 Isomer 2::US9918985, Example 56 Beta-secretase 1 Homo sapiens 19 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386668 249813146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270679 CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C23H22N4/c1-3-5-16-10-19(14-25-13-16)17-6-7-18-12-22(8-4-9-22)23(20(18)11-17)26-15(2)21(24)27-23/h6-7,10-11,13-14H,4,8-9,12H2,1-2H3,(H2,24,27) GEFZXXPGNGYLMH-UHFFFAOYSA-N 136820 US10231967, Example 56::US8865911, 56::US8865911, 57 Isomer 1::US8865911, 57 Isomer 2::US9918985, Example 56 Beta-secretase 1 Homo sapiens 27600 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386668 249813146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270680 CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC1CC1 InChI=1S/C20H21N3/c1-13-18(21)23-20(22-13)17-11-15(6-5-14-3-4-14)7-8-16(17)12-19(20)9-2-10-19/h7-8,11,14H,2-4,9-10,12H2,1H3,(H2,21,23) UAEMPXBCTYCXDD-UHFFFAOYSA-N 136821 US10231967, Example 58::US8865911, 58::US9918985, Example 58 Beta-secretase 1 Homo sapiens 523 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386669 249813147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270681 CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC(C)(C)C InChI=1S/C21H25N3/c1-14-18(22)24-21(23-14)17-12-15(8-11-19(2,3)4)6-7-16(17)13-20(21)9-5-10-20/h6-7,12H,5,9-10,13H2,1-4H3,(H2,22,24) ZSWTZNCPJDMJEI-UHFFFAOYSA-N 136822 US10231967, Example 59::US8865911, 59::US9918985, Example 59 Beta-secretase 1 Homo sapiens 2610 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386670 249813148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270682 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 InChI=1S/C24H27ClN4O/c1-14-21(25)11-18(13-27-14)16-4-5-17-12-23(8-6-19(30-3)7-9-23)24(20(17)10-16)28-15(2)22(26)29-24/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,26,29)/t19-,23-,24? FSPVOBOVPOEPEV-AHLJTMJASA-N 136823 US10231967, Example 60::US8865911, 60::US9918985, Example 60 Beta-secretase 1 Homo sapiens 12 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386671 249813149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270683 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 InChI=1S/C24H27ClN4O/c1-14-21(25)11-18(13-27-14)16-4-5-17-12-23(8-6-19(30-3)7-9-23)24(20(17)10-16)28-15(2)22(26)29-24/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,26,29)/t19-,23-,24-/m0/s1 FSPVOBOVPOEPEV-IGKWTDBASA-N 136824 US10231967, Example 61::US8865911, 61::US9918985, Example 61 Beta-secretase 1 Homo sapiens 5.9 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979569 249813150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270684 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cnc2C)CC1 InChI=1S/C24H27ClN4O/c1-14-20(11-18(25)13-27-14)16-4-5-17-12-23(8-6-19(30-3)7-9-23)24(21(17)10-16)28-15(2)22(26)29-24/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,26,29)/t19-,23-,24? KWUKMYMZASNCGG-AHLJTMJASA-N 136825 US10231967, Example 62::US8865911, 62::US9918985, Example 62 Beta-secretase 1 Homo sapiens 19 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386915 249813151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270685 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1 InChI=1S/C27H30N4O/c1-5-6-21-15-29-16-23(17(21)2)19-7-8-20-14-26(11-9-22(32-4)10-12-26)27(24(20)13-19)30-18(3)25(28)31-27/h7-8,13,15-16,22H,9-12,14H2,1-4H3,(H2,28,31)/t22-,26-,27? VOAYXBVNQZNDJQ-JZGZJDTKSA-N 136826 US10231967, Example 63::US8865911, 63::US9918985, Example 63 Beta-secretase 1 Homo sapiens 89 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386916 249813152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270686 CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C19H24BrN3O/c1-3-16-17(21)23-19(22-16)15-10-13(20)5-4-12(15)11-18(19)8-6-14(24-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,23)/t14-,18-,19? RZZDAMQILXHFNA-FGWLZILTSA-N 136828 US10231967, Example 64::US8865911, 64::US9918985, Example 64 Beta-secretase 1 Homo sapiens 401 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386917 249813154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270687 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 InChI=1S/C24H27ClN4O/c1-3-21-22(26)29-24(28-21)20-11-15(17-10-18(25)14-27-13-17)4-5-16(20)12-23(24)8-6-19(30-2)7-9-23/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H2,26,29)/t19-,23-,24? QRKMJBIQBFXXFC-AHLJTMJASA-N 136829 US10231967, Example 65::US8865911, 65::US8865911, 66 Isomer 1::US9918985, Example 66 Isomer 2 Beta-secretase 1 Homo sapiens 5.7 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386918 249813155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270688 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC InChI=1S/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27? CGJQMXWLLKPNOI-JZGZJDTKSA-N 136830 US10231967, Example 67::US8865911, 67::US8865911, 68 Isomer 1::US9918985, Example 68 Isomer 2 Beta-secretase 1 Homo sapiens 2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386919 249813156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270689 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 InChI=1S/C24H27ClN4O/c1-3-21-22(26)29-24(28-21)20-11-15(17-10-18(25)14-27-13-17)4-5-16(20)12-23(24)8-6-19(30-2)7-9-23/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H2,26,29)/t19-,23-,24? QRKMJBIQBFXXFC-AHLJTMJASA-N 136829 US10231967, Example 65::US8865911, 65::US8865911, 66 Isomer 1::US9918985, Example 66 Isomer 2 Beta-secretase 1 Homo sapiens 2.9 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386918 249813155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270690 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 InChI=1S/C24H27ClN4O/c1-3-21-22(26)29-24(28-21)20-11-15(17-10-18(25)14-27-13-17)4-5-16(20)12-23(24)8-6-19(30-2)7-9-23/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H2,26,29)/t19-,23-,24? QRKMJBIQBFXXFC-AHLJTMJASA-N 136937 US8865911, 66 Isomer 2 Beta-secretase 1 Homo sapiens 16300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386918 249813263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270691 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC InChI=1S/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27? CGJQMXWLLKPNOI-JZGZJDTKSA-N 136830 US10231967, Example 67::US8865911, 67::US8865911, 68 Isomer 1::US9918985, Example 68 Isomer 2 Beta-secretase 1 Homo sapiens 1.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386919 249813156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270692 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC InChI=1S/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27? CGJQMXWLLKPNOI-JZGZJDTKSA-N 136939 US8865911, 68 Isomer 2 Beta-secretase 1 Homo sapiens 9970 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386919 249813265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270693 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#N InChI=1S/C25H27N5O/c1-3-22-23(27)30-25(29-22)21-11-17(19-10-16(13-26)14-28-15-19)4-5-18(21)12-24(25)8-6-20(31-2)7-9-24/h4-5,10-11,14-15,20H,3,6-9,12H2,1-2H3,(H2,27,30)/t20-,24-,25? AEEPSMNZRMEZBF-QXONTCKQSA-N 136831 US10231967, Example 69::US8865911, 69::US9918985, Example 69 Beta-secretase 1 Homo sapiens 21 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386920 249813157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270694 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N InChI=1S/C26H28N4O/c1-3-23-24(28)30-26(29-23)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(31-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,30)/t21-,25-,26? LPTYIZIFEMAJPK-AHQGXOPPSA-N 136832 US10231967, Example 70::US8865911, 70::US8865911, 71 Isomer 1::US8865911, 71 Isomer 2::US9918985, Example 71 Isomer 2 Beta-secretase 1 Homo sapiens 18 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979394 249813158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270695 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N InChI=1S/C26H28N4O/c1-3-23-24(28)30-26(29-23)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(31-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,30)/t21-,25-,26? LPTYIZIFEMAJPK-AHQGXOPPSA-N 136832 US10231967, Example 70::US8865911, 70::US8865911, 71 Isomer 1::US8865911, 71 Isomer 2::US9918985, Example 71 Isomer 2 Beta-secretase 1 Homo sapiens 7.4 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979394 249813158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270696 CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N InChI=1S/C26H28N4O/c1-3-23-24(28)30-26(29-23)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(31-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,30)/t21-,25-,26? LPTYIZIFEMAJPK-AHQGXOPPSA-N 136832 US10231967, Example 70::US8865911, 70::US8865911, 71 Isomer 1::US8865911, 71 Isomer 2::US9918985, Example 71 Isomer 2 Beta-secretase 1 Homo sapiens 6720 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979394 249813158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270697 CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27? OYVJXWZSTBCONR-HAOYJSTOSA-N 50393106 CHEMBL2152920::US10231967, Example 72::US9918985, Example 72 Beta-secretase 1 Homo sapiens 2.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387166 163342130 CHEMBL2152920 ZINC95579423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270698 CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 InChI=1S/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/m0/s1 NVGRJZRZTUKQGI-TUSQITKMSA-N 136833 US10231967, Example 73::US8865911, 73::US9000182, 21, isomer 1::US9918985, Example 73 Beta-secretase 1 Homo sapiens 1.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979749 249813159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270699 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(C)cc(c2)C#N)CC1 InChI=1S/C26H28N4O/c1-16-10-18(15-27)12-21(11-16)19-4-5-20-14-25(8-6-22(31-3)7-9-25)26(23(20)13-19)29-17(2)24(28)30-26/h4-5,10-13,22H,6-9,14H2,1-3H3,(H2,28,30)/t22-,25-,26? ZBNKTPSOILJWQX-HDVKRFLQSA-N 136834 US8865911, 74::US9918985, Example 74 Beta-secretase 1 Homo sapiens 2.6 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387168 249813160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270700 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? KBPMBBOBMLYWBG-TYRCWPPYSA-N 136835 US10231967, Example 118::US8865911, 75::US8865911, 76 Isomer 1::US8865911, 76 Isomer 2::US9918985, Example 118 Beta-secretase 1 Homo sapiens 5.7 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387169 249813161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270701 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? KBPMBBOBMLYWBG-TYRCWPPYSA-N 136835 US10231967, Example 118::US8865911, 75::US8865911, 76 Isomer 1::US8865911, 76 Isomer 2::US9918985, Example 118 Beta-secretase 1 Homo sapiens 3.4 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387169 249813161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270702 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? KBPMBBOBMLYWBG-TYRCWPPYSA-N 136835 US10231967, Example 118::US8865911, 75::US8865911, 76 Isomer 1::US8865911, 76 Isomer 2::US9918985, Example 118 Beta-secretase 1 Homo sapiens 636 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387169 249813161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270703 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1 InChI=1S/C14H14BrN3/c1-8-12(16)18-14(17-8)11-6-10(15)3-2-9(11)7-13(14)4-5-13/h2-3,6H,4-5,7H2,1H3,(H2,16,18) DFCZJGXXKNWQJL-UHFFFAOYSA-N 136839 US10231967, Example 77::US8865911, 77::US9918985, Example 77 Beta-secretase 1 Homo sapiens 16300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387170 249813165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270704 CC1=NC2(N=C1N)c1cc(ccc1CC21CC1)-c1cc(Cl)cc(c1)C#N InChI=1S/C21H17ClN4/c1-12-19(24)26-21(25-12)18-9-14(2-3-15(18)10-20(21)4-5-20)16-6-13(11-23)7-17(22)8-16/h2-3,6-9H,4-5,10H2,1H3,(H2,24,26) XSQKUWZLKKUZPU-UHFFFAOYSA-N 136840 US10231967, Example 78::US8865911, 78::US9918985, Example 78 Beta-secretase 1 Homo sapiens 101 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387171 249813166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270705 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#N)CC1 InChI=1S/C19H22N4O/c1-12-17(21)23-19(22-12)16-9-13(11-20)3-4-14(16)10-18(19)7-5-15(24-2)6-8-18/h3-4,9,15H,5-8,10H2,1-2H3,(H2,21,23)/t15-,18-,19? IBJMVRAGTMDAFC-DUWYVTJWSA-N 136842 US10231967, Example 79::US8865911, 79::US9918985, Example 79 Beta-secretase 1 Homo sapiens 188 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387420 249813168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270706 COCc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C26H31N3O2/c1-17-24(27)29-26(28-17)23-14-20(19-6-4-5-18(13-19)16-30-2)7-8-21(23)15-25(26)11-9-22(31-3)10-12-25/h4-8,13-14,22H,9-12,15-16H2,1-3H3,(H2,27,29)/t22-,25-,26? OJULZIHGKOEUGD-HDVKRFLQSA-N 136843 US10231967, Example 80::US8865911, 80::US9918985, Example 80 Beta-secretase 1 Homo sapiens 22 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387421 249813169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270707 COCc1cc(F)cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C26H30FN3O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-31-2)11-21(27)12-20)4-5-19(23)14-25(26)8-6-22(32-3)7-9-25/h4-5,10-13,22H,6-9,14-15H2,1-3H3,(H2,28,30)/t22-,25-,26? NVGBNEWLPGDDDO-HDVKRFLQSA-N 136844 US10231967, Example 81::US8865911, 81::US9918985, Example 81 Beta-secretase 1 Homo sapiens 23 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387422 249813170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270708 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(COCC(F)(F)F)c2)CC1 InChI=1S/C26H29F3N4O2/c1-16-23(30)33-26(32-16)22-10-18(20-9-17(12-31-13-20)14-35-15-25(27,28)29)3-4-19(22)11-24(26)7-5-21(34-2)6-8-24/h3-4,9-10,12-13,21H,5-8,11,14-15H2,1-2H3,(H2,30,33)/t21-,24-,26? PBZIPKGPSVOZPH-AHHGHADQSA-N 136845 US10231967, Example 82::US8865911, 82::US9918985, Example 82 Beta-secretase 1 Homo sapiens 66 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387423 249813171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270709 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(C)c2)CC1 InChI=1S/C24H28N4O/c1-15-10-19(14-26-13-15)17-4-5-18-12-23(8-6-20(29-3)7-9-23)24(21(18)11-17)27-16(2)22(25)28-24/h4-5,10-11,13-14,20H,6-9,12H2,1-3H3,(H2,25,28)/t20-,23-,24-/m0/s1 JXMIZSIVCHFRDW-OYDLWJJNSA-N 136846 US10231967, Example 83::US8865911, 83::US9918985, Example 83 Beta-secretase 1 Homo sapiens 21 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979619 249813172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270710 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19-,22-,23-/m0/s1 CIGIICMKOOPQKH-VJBMBRPKSA-N 136847 US10231967, Example 84::US8865911, 84::US9918985, Example 84 Beta-secretase 1 Homo sapiens 2.1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979595 249813173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270711 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)(F)F)C#N)CC1 InChI=1S/C26H25F3N4O/c1-15-23(31)33-25(32-15)22-12-17(19-9-16(14-30)10-20(11-19)26(27,28)29)3-4-18(22)13-24(25)7-5-21(34-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,31,33)/t21-,24-,25-/m0/s1 PYCHQFOZUGUMBW-TUSQITKMSA-N 136848 US10231967, Example 85::US8865911, 85::US9918985, Example 85 Beta-secretase 1 Homo sapiens 3.1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979728 249813174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270712 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 InChI=1S/C26H26F2N4O/c1-15-24(30)32-26(31-15)22-12-17(19-9-16(14-29)10-20(11-19)23(27)28)3-4-18(22)13-25(26)7-5-21(33-2)6-8-25/h3-4,9-12,21,23H,5-8,13H2,1-2H3,(H2,30,32)/t21-,25-,26-/m0/s1 WHKFJZYBRJHBJY-MZBJOSPHSA-N 136849 US10231967, Example 86::US8865911, 86::US9918985, Example 86 Beta-secretase 1 Homo sapiens 1.5 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979414 249813175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270713 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1 InChI=1S/C26H27FN4O2/c1-15-24(29)31-26(30-15)21-11-16(18-10-19(14-28)23(27)22(12-18)33-3)4-5-17(21)13-25(26)8-6-20(32-2)7-9-25/h4-5,10-12,20H,6-9,13H2,1-3H3,(H2,29,31)/t20-,25-,26-/m0/s1 XTQZDTBINKMEKZ-XZZVZQAVSA-N 136850 US10231967, Example 87::US8865911, 87::US9918985, Example 87 Beta-secretase 1 Homo sapiens 2.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979583 249813176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270714 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(F)c2)CC1 InChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)21-11-15(17-9-18(25)12-19(26)10-17)3-4-16(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,29)/t20-,23-,24-/m0/s1 HRDQJFPXQGWLSV-OYDLWJJNSA-N 136851 US10231967, Example 88::US8865911, 88::US9918985, Example 88 Beta-secretase 1 Homo sapiens 2.8 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979593 249813177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270715 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(OC)c2F)CC1 InChI=1S/C25H28FN3O2/c1-15-23(27)29-25(28-15)20-13-16(19-5-4-6-21(31-3)22(19)26)7-8-17(20)14-24(25)11-9-18(30-2)10-12-24/h4-8,13,18H,9-12,14H2,1-3H3,(H2,27,29)/t18-,24-,25-/m0/s1 MUPBWXCOUHZWEH-WDNCENIBSA-N 136852 US10231967, Example 89::US8865911, 89::US9918985, Example 89 Beta-secretase 1 Homo sapiens 3.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979453 249813178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270716 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1 InChI=1S/C24H27N3O/c1-16-22(25)27-24(26-16)21-14-18(17-6-4-3-5-7-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h3-9,14,20H,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24-/m0/s1 BABSGYNDJJCRAD-OYDLWJJNSA-N 136853 US10231967, Example 90::US8865911, 90::US9918985, Example 90 Beta-secretase 1 Homo sapiens 13 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979621 249813179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270717 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26? SKNSXIIPICYXKY-AHQGXOPPSA-N 136854 US10231967, Example 91::US8865911, 91::US9918985, Example 91 Beta-secretase 1 Homo sapiens 2.2 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387885 249813180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270718 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26-/m0/s1 SKNSXIIPICYXKY-MZBJOSPHSA-N 136855 US10231967, Example 92-Isomer-2::US8865911, 289::US8865911, 92 Isomer 1::US9918985, Example 92 Isomer 2 Beta-secretase 1 Homo sapiens 0.84 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979436 249813181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270719 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26-/m1/s1 SKNSXIIPICYXKY-LPPUWEFUSA-N 136856 US10231967, Example 92-Isomer-1::US8865911, 92 Isomer 2::US9918985, Example 92 Isomer 1 Beta-secretase 1 Homo sapiens 5870 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979433 249813182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270720 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 InChI=1S/C25H25BrN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? BCPJXJSUDZCZSL-TYRCWPPYSA-N 136858 US10231967, Example 93::US8865911, 93::US8865911, 94 Isomer 1::US8865911, 94 Isomer 2::US9918985, Example 94 Isomer 2 Beta-secretase 1 Homo sapiens 1.8 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387886 249813184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270721 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 InChI=1S/C25H25BrN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? BCPJXJSUDZCZSL-TYRCWPPYSA-N 136858 US10231967, Example 93::US8865911, 93::US8865911, 94 Isomer 1::US8865911, 94 Isomer 2::US9918985, Example 94 Isomer 2 Beta-secretase 1 Homo sapiens 0.7 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387886 249813184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270722 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 InChI=1S/C25H25BrN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? BCPJXJSUDZCZSL-TYRCWPPYSA-N 136858 US10231967, Example 93::US8865911, 93::US8865911, 94 Isomer 1::US8865911, 94 Isomer 2::US9918985, Example 94 Isomer 2 Beta-secretase 1 Homo sapiens 4950 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387886 249813184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270723 CCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N InChI=1S/C27H30N4O/c1-4-18-11-19(16-28)13-22(12-18)20-5-6-21-15-26(9-7-23(32-3)8-10-26)27(24(21)14-20)30-17(2)25(29)31-27/h5-6,11-14,23H,4,7-10,15H2,1-3H3,(H2,29,31)/t23-,26-,27? MZMGBLWHPUKZKF-HAOYJSTOSA-N 136859 US10231967, Example 95::US8865911, 95::US9918985, Example 95 Beta-secretase 1 Homo sapiens 5.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387887 249813185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270724 COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-13-20(22-11-18(15-28)10-19(12-22)16-32-2)4-5-21(24)14-26(27)8-6-23(33-3)7-9-26/h4-5,10-13,23H,6-9,14,16H2,1-3H3,(H2,29,31)/t23-,26-,27? WXWZQOAPXMLOGN-HAOYJSTOSA-N 136860 US8865911, 96::US8865911, 97 Isomer 1 Beta-secretase 1 Homo sapiens 6.1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387888 249813186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270725 COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-13-20(22-11-18(15-28)10-19(12-22)16-32-2)4-5-21(24)14-26(27)8-6-23(33-3)7-9-26/h4-5,10-13,23H,6-9,14,16H2,1-3H3,(H2,29,31)/t23-,26-,27? WXWZQOAPXMLOGN-HAOYJSTOSA-N 136860 US8865911, 96::US8865911, 97 Isomer 1 Beta-secretase 1 Homo sapiens 3.1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387888 249813186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270726 COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-13-20(22-11-18(15-28)10-19(12-22)16-32-2)4-5-21(24)14-26(27)8-6-23(33-3)7-9-26/h4-5,10-13,23H,6-9,14,16H2,1-3H3,(H2,29,31)/t23-,26-,27? WXWZQOAPXMLOGN-HAOYJSTOSA-N 136947 US10231967, Example 96::US8865911, 97 Isomer 2::US9918985, Example 97 Isomer 2 Beta-secretase 1 Homo sapiens 15400 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387888 249813273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270727 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1 InChI=1S/C25H28FN3O2/c1-15-23(27)29-25(28-15)21-12-16(20-13-19(31-3)6-7-22(20)26)4-5-17(21)14-24(25)10-8-18(30-2)9-11-24/h4-7,12-13,18H,8-11,14H2,1-3H3,(H2,27,29)/t18-,24-,25-/m0/s1 JJDMMVKGGCIWNE-WDNCENIBSA-N 136861 US10231967, Example 98::US8865911, 98::US9918985, Example 98 Beta-secretase 1 Homo sapiens 1.5 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979449 249813187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270728 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)ccc2F)CC1 InChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)20-11-15(19-12-17(25)5-6-21(19)26)3-4-16(20)13-23(24)9-7-18(30-2)8-10-23/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,27,29)/t18-,23-,24-/m0/s1 YGUANPLEQMZXTA-NWVWQQAFSA-N 136862 US10231967, Example 99::US8865911, 99::US9918985, Example 99 Beta-secretase 1 Homo sapiens 3.9 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979460 249813188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270729 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)20-10-15(17-9-18(13-28)22(27)21(26)11-17)3-4-16(20)12-24(25)7-5-19(32-2)6-8-24/h3-4,9-11,19H,5-8,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m0/s1 FMNVIPHETSINMI-LQGLAIQGSA-N 136863 US10231967, Example 100::US8865911, 100::US9918985, Example 100 Beta-secretase 1 Homo sapiens 0.72 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979573 249813189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270730 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(F)c2F)CC1 InChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)19-12-15(18-4-3-5-20(25)21(18)26)6-7-16(19)13-23(24)10-8-17(30-2)9-11-23/h3-7,12,17H,8-11,13H2,1-2H3,(H2,27,29)/t17-,23-,24-/m0/s1 QUDGAPHVUAEHFA-DPSWKAHMSA-N 136864 US10231967, Example 101::US8865911, 101::US9918985, Example 101 Beta-secretase 1 Homo sapiens 19.8 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979312 249813190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270731 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(ccc2F)C#N)CC1 InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(20-11-16(14-27)3-6-22(20)26)4-5-18(21)13-24(25)9-7-19(31-2)8-10-24/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,28,30)/t19-,24-,25-/m0/s1 ULDMQHGBWVBBMN-LQGLAIQGSA-N 136865 US10231967, Example 102::US8865911, 102::US9918985, Example 102 Beta-secretase 1 Homo sapiens 3.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979662 249813191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270732 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)cc2F)CC1 InChI=1S/C24H25F2N3O/c1-14-22(27)29-24(28-14)20-11-15(19-6-5-17(25)12-21(19)26)3-4-16(20)13-23(24)9-7-18(30-2)8-10-23/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,27,29)/t18-,23-,24-/m0/s1 YMEVFLBOXWRPCH-NWVWQQAFSA-N 136866 US10231967, Example 103::US8865911, 103::US9918985, Example 103 Beta-secretase 1 Homo sapiens 34 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979581 249813192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270733 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(Cl)c2Cl)CC1 InChI=1S/C24H25Cl2N3O/c1-14-22(27)29-24(28-14)19-12-15(18-4-3-5-20(25)21(18)26)6-7-16(19)13-23(24)10-8-17(30-2)9-11-23/h3-7,12,17H,8-11,13H2,1-2H3,(H2,27,29)/t17-,23-,24-/m0/s1 YZSOGWONFTWVKT-DPSWKAHMSA-N 136867 US10231967, Example 104::US8865911, 104::US9918985, Example 104 Beta-secretase 1 Homo sapiens 64 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979638 249813193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270734 CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(c1)C#N InChI=1S/C25H23F3N4O/c1-14-22(30)32-25(31-14)21-11-16(18-8-15(13-29)9-19(26)10-18)2-3-17(21)12-24(25)6-4-20(5-7-24)33-23(27)28/h2-3,8-11,20,23H,4-7,12H2,1H3,(H2,30,32)/t20-,24-,25-/m0/s1 PGKOVKXDONQGMH-OPXMRZJTSA-N 136868 US8865911, 105 Beta-secretase 1 Homo sapiens 22 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89751027 249813194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270735 COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)[C@]3(N=C(C)C(N)=N3)c2c1)C#N InChI=1S/C26H26F2N4O2/c1-15-23(30)32-26(31-15)22-12-17(19-9-16(14-29)10-21(11-19)33-2)3-4-18(22)13-25(26)7-5-20(6-8-25)34-24(27)28/h3-4,9-12,20,24H,5-8,13H2,1-2H3,(H2,30,32)/t20-,25-,26-/m0/s1 DZGFZIMDVXHKMA-XZZVZQAVSA-N 136869 US8865911, 106 Beta-secretase 1 Homo sapiens 1 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89751040 249813195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270736 CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F InChI=1S/C24H23F5N4O/c1-13-20(30)33-23(32-13)19-9-14(16-8-17(12-31-11-16)24(27,28)29)2-3-15(19)10-22(23)6-4-18(5-7-22)34-21(25)26/h2-3,8-9,11-12,18,21H,4-7,10H2,1H3,(H2,30,33)/t18-,22-,23? VABJLQOQMZEOHJ-VYNBAUGJSA-N 136870 US10231967, Example 107::US8865911, 107::US9918985, Example 107 Beta-secretase 1 Homo sapiens 21 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979498 249813196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270737 CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N InChI=1S/C25H23ClF2N4O/c1-14-22(30)32-25(31-14)21-11-16(18-8-15(13-29)9-19(26)10-18)2-3-17(21)12-24(25)6-4-20(5-7-24)33-23(27)28/h2-3,8-11,20,23H,4-7,12H2,1H3,(H2,30,32)/t20-,24-,25? XHPVFJGGOWNHQR-QXONTCKQSA-N 136871 US10231967, Example 108::US8865911, 108::US9918985, Example 108 Beta-secretase 1 Homo sapiens 1.3 9.2 US Patent 10.7270/Q2T72G4T aid1800731 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979490 249813197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270738 CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(F)c1 InChI=1S/C24H23F4N3O/c1-13-21(29)31-24(30-13)20-10-14(16-8-17(25)11-18(26)9-16)2-3-15(20)12-23(24)6-4-19(5-7-23)32-22(27)28/h2-3,8-11,19,22H,4-7,12H2,1H3,(H2,29,31)/t19-,23-,24? KGNLPACQRCXMGM-AHLJTMJASA-N 136872 US10231967, Example 109::US8865911, 109::US9918985, Example 109 Beta-secretase 1 Homo sapiens 21 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979565 249813198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270739 COc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C26H25F3N4O2/c1-14-23(31)33-26(32-14)20-10-15(17-9-18(13-30)22(27)21(11-17)34-2)3-4-16(20)12-25(26)7-5-19(6-8-25)35-24(28)29/h3-4,9-11,19,24H,5-8,12H2,1-2H3,(H2,31,33)/t19-,25-,26? GBNJNJPEBSZUOQ-GKDSVWLLSA-N 136873 US10231967, Example 110::US8865911, 110::US9918985, Example 110 Beta-secretase 1 Homo sapiens 24 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979530 249813199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270740 CO[C@]1(C)CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C27H30N4O/c1-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-25(3,32-4)10-12-26)27(23(21)14-20)30-18(2)24(28)31-27/h7-8,13-14,16-17H,9-12,15H2,1-4H3,(H2,28,31)/t25-,26-,27? PJFLXADHRCSJTF-KKFOSYPRSA-N 136878 US8865911, 111::US9918985, Example 111 Beta-secretase 1 Homo sapiens 51 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979296 249813204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270741 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1 InChI=1S/C24H29N3O/c1-16-22(25)27-24(26-16)21-14-18(7-6-17-4-3-5-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h8-9,14,17,20H,3-5,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24? HZHGVFUZMFVSNM-MOOVDDBPSA-N 136879 US10231967, Example 112::US8865911, 112::US9000182, 5, isomer 2::US9918985, Example 112 Beta-secretase 1 Homo sapiens 22 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979492 249813205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270742 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1 InChI=1S/C23H29N3O/c1-15(2)5-6-17-7-8-18-14-22(11-9-19(27-4)10-12-22)23(20(18)13-17)25-16(3)21(24)26-23/h7-8,13,15,19H,9-12,14H2,1-4H3,(H2,24,26)/t19-,22-,23? LWCYPSYNLAAESS-SCTJWGJOSA-N 136880 US10231967, Example 113::US8865911, 113::US9000182, 7, isomer 2::US9918985, Example 113 Beta-secretase 1 Homo sapiens 24 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979560 249813206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270743 CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(=O)CC1)-c1cc(F)cc(c1)C#N InChI=1S/C24H21FN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11H,4-7,12H2,1H3,(H2,27,29) NAIIGWLCPAZIMA-UHFFFAOYSA-N 136887 US8865911, 115::US9918985, Example 115 Beta-secretase 1 Homo sapiens 632 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979308 249813213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270744 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc3[nH]cc(C)c3c2)CC1 136888 US10231967, Example 116::US8865911, 116::US9918985, Example 116 Beta-secretase 1 Homo sapiens 26 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979425 249813214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270745 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)F)CC1 InChI=1S/C24H26F2N4O/c1-14-22(27)30-24(29-14)20-10-15(17-9-18(21(25)26)13-28-12-17)3-4-16(20)11-23(24)7-5-19(31-2)6-8-23/h3-4,9-10,12-13,19,21H,5-8,11H2,1-2H3,(H2,27,30)/t19-,23-,24? WUJRLQGOZRVKDS-AHLJTMJASA-N 136889 US10231967, Example 120::US8865911, 120::US9918985, Example 120 Beta-secretase 1 Homo sapiens 27 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979488 249813215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270746 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc3[nH]cc(C)c3c2)CC1 136890 US10231967, Example 121::US8865911, 121::US9918985, Example 121 Beta-secretase 1 Homo sapiens 37 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979597 249813216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267839 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26) WLOOOUPMVOAGDW-UHFFFAOYSA-N 134330 US8846658, 42 Beta-secretase 1 Homo sapiens 56 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914546 242657605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267840 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26) RASUIEXPAHHRBC-UHFFFAOYSA-N 134331 US8846658, 43 Beta-secretase 1 Homo sapiens 62 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914547 242657606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267841 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H16ClF3N4O2/c1-9-4-10(19)6-24-15(9)16(27)25-11-2-3-13(20)12(5-11)18(17(21)22)8-28-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 RFBSKPMTVVJHML-SFHVURJKSA-N 19476 US8846658, 115::US8846658, 44 Beta-secretase 1 Homo sapiens 19 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=19476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=19476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1AVD,1BDO,1BIB,1DF8,1F27,1HXD,1KQS,1LUQ,1MEP,1MK5,1N43,1N9M,1NDJ,1NQM,1STP,1SWD,1SWE,1SWG,1SWK,1SWN,1SWP,1SWR,1SWT,1WBI,1WPY,1XNY,1Y52,1Y55,2AVI,2B8G,2BDO,2C1Q,2C4I,2DTH,2DTO,2DXT,2E3Y,2F01,2FYK,2GH7,2IZF,2IZG,2IZH,2IZI,2IZJ,2RTD,2RTE,2RTF,2RTG 50914548 249493547 ZINC58161345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267842 Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H16BrF3N4O2/c1-9-4-10(19)6-24-15(9)16(27)25-11-2-3-13(20)12(5-11)18(17(21)22)8-28-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 NSHIOKOUABVPPT-SFHVURJKSA-N 22021 US8846658, 116::US8846658, 45 Beta-secretase 1 Homo sapiens 16 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914549 249493548 ZINC58161345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267843 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C18H13ClF6N4O2/c19-11-3-8(18(23,24)25)5-27-14(11)15(30)28-9-1-2-12(20)10(4-9)17(16(21)22)7-31-6-13(26)29-17/h1-5,16H,6-7H2,(H2,26,29)(H,28,30)/t17-/m0/s1 DLWZVWXIFIDOTB-KRWDZBQOSA-N 134334 US8846658, 46 Beta-secretase 1 Homo sapiens 71 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914550 242657609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267844 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C18H14F6N4O2/c19-12-3-2-10(5-11(12)17(16(20)21)8-30-7-14(25)28-17)27-15(29)13-4-1-9(6-26-13)18(22,23)24/h1-6,16H,7-8H2,(H2,25,28)(H,27,29)/t17-/m0/s1 XSTVHCYQAAOEHC-KRWDZBQOSA-N 134335 US8846658, 47 Beta-secretase 1 Homo sapiens 56 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914551 242657610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267845 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C17H16F3N5O2/c1-9-5-23-13(6-22-9)15(26)24-10-2-3-12(18)11(4-10)17(16(19)20)8-27-7-14(21)25-17/h2-6,16H,7-8H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1 WHJTYFYIOWGETK-KRWDZBQOSA-N 134336 US8846658, 48 Beta-secretase 1 Homo sapiens 550 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914687 242657611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267846 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H17F3N4O3/c1-27-11-3-5-14(23-7-11)16(26)24-10-2-4-13(19)12(6-10)18(17(20)21)9-28-8-15(22)25-18/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 AWJDBGIBIVHLLE-SFHVURJKSA-N 134337 US8846658, 49 Beta-secretase 1 Homo sapiens 50 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914688 242657612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267847 NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Br)cn2)c1)C(F)(F)F InChI=1S/C17H14BrF3N4O2/c18-11-4-5-13(23-7-11)15(26)24-12-3-1-2-10(6-12)16(17(19,20)21)9-27-8-14(22)25-16/h1-7H,8-9H2,(H2,22,25)(H,24,26) FVUULOFNZBVQOL-UHFFFAOYSA-N 134338 US8846658, 50 Beta-secretase 1 Homo sapiens 420 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90683575 242657613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267848 C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ncc(Br)cn2)c1 InChI=1S/C16H15Br2N5O2/c1-16(8-25-7-13(19)23-16)9-2-10(17)4-12(3-9)22-15(24)14-20-5-11(18)6-21-14/h2-6H,7-8H2,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1 OZAUFAJWFVOUMG-INIZCTEOSA-N 134339 US8846658, 51 Beta-secretase 1 Homo sapiens 230 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118869 242657614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267849 C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H16Br2N4O2/c1-17(9-25-8-15(20)23-17)10-4-12(19)6-13(5-10)22-16(24)14-3-2-11(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 KIOJRAYIOQQHOD-KRWDZBQOSA-N 134340 US8846658, 52 Beta-secretase 1 Homo sapiens 180 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914690 242657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267850 C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C18H16BrN5O2/c1-18(10-26-9-16(21)24-18)12-4-13(19)6-14(5-12)23-17(25)15-3-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 CRJLKTGWDGDYOO-SFHVURJKSA-N 134341 US8846658, 53 Beta-secretase 1 Homo sapiens 380 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914691 242657616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267851 C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C18H16BrF3N4O2/c1-17(9-28-8-15(23)26-17)11-4-12(19)6-13(5-11)25-16(27)14-3-2-10(7-24-14)18(20,21)22/h2-7H,8-9H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 VJKFTSHRTGUDKU-KRWDZBQOSA-N 134342 US8846658, 54 Beta-secretase 1 Homo sapiens 440 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914692 242657617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267852 Cc1cc(Br)cnc1C(=O)Nc1cc(Br)cc(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C18H18Br2N4O2/c1-10-3-13(20)7-22-16(10)17(25)23-14-5-11(4-12(19)6-14)18(2)9-26-8-15(21)24-18/h3-7H,8-9H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1 TWKMHWRNTKWHTK-SFHVURJKSA-N 134343 US8846658, 55 Beta-secretase 1 Homo sapiens 84 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914693 242657618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267853 C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H16BrClN4O2/c1-17(9-25-8-15(20)23-17)10-4-11(18)6-13(5-10)22-16(24)14-3-2-12(19)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 SQFPBQIACZLVBC-KRWDZBQOSA-N 134344 US8846658, 56 Beta-secretase 1 Homo sapiens 101 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914827 242657619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267854 Cc1cnc(cn1)C(=O)Nc1cc(Br)cc(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C17H18BrN5O2/c1-10-6-21-14(7-20-10)16(24)22-13-4-11(3-12(18)5-13)17(2)9-25-8-15(19)23-17/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 DHKBQTABDSGIGV-KRWDZBQOSA-N 134345 US8846658, 57 Beta-secretase 1 Homo sapiens 1700 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914828 242657620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267855 Cc1nc(C(=O)Nc2cc(Br)cc(c2)[C@]2(C)COCC(N)=N2)c(C)o1 InChI=1S/C17H19BrN4O3/c1-9-15(20-10(2)25-9)16(23)21-13-5-11(4-12(18)6-13)17(3)8-24-7-14(19)22-17/h4-6H,7-8H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1 DRANMFPDZPCGCI-KRWDZBQOSA-N 134346 US8846658, 58 Beta-secretase 1 Homo sapiens 780 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914829 242657621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267856 Cc1nc(co1)C(=O)Nc1cc(Br)cc(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C16H17BrN4O3/c1-9-19-13(6-24-9)15(22)20-12-4-10(3-11(17)5-12)16(2)8-23-7-14(18)21-16/h3-6H,7-8H2,1-2H3,(H2,18,21)(H,20,22)/t16-/m0/s1 DIDQGOKRIHNPTF-INIZCTEOSA-N 134347 US8846658, 59 Beta-secretase 1 Homo sapiens 240 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914830 242657622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267857 CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H16BrFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24) AWWAZUFXKKZKCD-UHFFFAOYSA-N 134348 US8846658, 60 Beta-secretase 1 Homo sapiens 58 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914831 242657623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267858 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(C)COCC(N)=N1 InChI=1S/C17H18FN5O2/c1-10-6-21-14(7-20-10)16(24)22-11-3-4-13(18)12(5-11)17(2)9-25-8-15(19)23-17/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24) QCOIOASJNWMYBJ-UHFFFAOYSA-N 134349 US8846658, 61 Beta-secretase 1 Homo sapiens 1970 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914832 242657624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267859 CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(10-26-9-16(21)24-18)13-6-12(3-4-14(13)19)23-17(25)15-5-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25) IHBPTEKOIRADAY-UHFFFAOYSA-N 134350 US8846658, 62 Beta-secretase 1 Homo sapiens 95 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914833 242657625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267860 CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24) BBTMSQSMAGSWCB-UHFFFAOYSA-N 134351 US8846658, 63 Beta-secretase 1 Homo sapiens 110 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914976 242657626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267861 Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)C1(C)COCC(N)=N1 InChI=1S/C18H18BrFN4O2/c1-10-5-11(19)7-22-16(10)17(25)23-12-3-4-14(20)13(6-12)18(2)9-26-8-15(21)24-18/h3-7H,8-9H2,1-2H3,(H2,21,24)(H,23,25) FXBGEPMHYXPSMX-UHFFFAOYSA-N 134352 US8846658, 64 Beta-secretase 1 Homo sapiens 40 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914977 242657627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267862 CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(N)=O)ccc1F InChI=1S/C18H18FN5O3/c1-18(9-27-8-15(20)24-18)12-6-11(3-4-13(12)19)23-17(26)14-5-2-10(7-22-14)16(21)25/h2-7H,8-9H2,1H3,(H2,20,24)(H2,21,25)(H,23,26) MKLYIJCJYHQYOX-UHFFFAOYSA-N 134353 US8846658, 65 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118891 242657628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267863 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 YGNDEESWZOXXLA-ZWKOTPCHSA-N 134354 US8846658, 66 Beta-secretase 1 Homo sapiens 20 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SL8 7B1P 50914981 242657629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267864 COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H21F3N4O3/c1-18(11-30-19(2,17(24)27-18)20(21,22)23)12-5-4-6-13(9-12)26-16(28)15-8-7-14(29-3)10-25-15/h4-10H,11H2,1-3H3,(H2,24,27)(H,26,28)/t18-,19+/m0/s1 OPAXOXPTFOUJHW-RBUKOAKNSA-N 134355 US8846658, 67 Beta-secretase 1 Homo sapiens 100 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914978 242657630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267865 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H17BrF4N4O2/c1-17(9-30-18(2,16(25)28-17)19(22,23)24)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 XXUKTXRJOFQHLP-ZWKOTPCHSA-N 134356 US8846658, 68 Beta-secretase 1 Homo sapiens 11 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912801 242657631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267866 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H20F4N4O3/c1-18(10-31-19(2,17(25)28-18)20(22,23)24)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1 OGFOGSCUHZKSAF-RBUKOAKNSA-N 134357 US8846658, 69 Beta-secretase 1 Homo sapiens 9 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914979 242657632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267867 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F InChI=1S/C19H16F4N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-5-11(3-4-13(12)20)28-15(30)14-26-7-10(6-24)8-27-14/h3-5,7-8H,9H2,1-2H3,(H2,25,29)(H,28,30)/t17-,18+/m0/s1 KSZDQDUDHWUQCJ-ZWKOTPCHSA-N 134358 US8846658, 70 Beta-secretase 1 Homo sapiens 34 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912802 242657633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267868 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C18H16BrF4N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-5-10(3-4-12(11)20)27-14(29)13-25-6-9(19)7-26-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,27,29)/t16-,17+/m0/s1 MONBOQDZSLNZSN-DLBZAZTESA-N 134359 US8846658, 71 Beta-secretase 1 Homo sapiens 16 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914980 242657634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267869 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 BQFHTVUWPJXLOW-VQTJNVASSA-N 50012653 CHEMBL3261067 Beta-secretase 1 Homo sapiens 10 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SLK 7B1Q 66665322 103924906 CHEMBL3261067 ZINC29463978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267870 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O2/c1-18(10-31-19(2,17(26)29-18)20(22,23)24)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 TWKUHRBKUHLJDI-RBUKOAKNSA-N 134360 US8846658, 73 Beta-secretase 1 Homo sapiens 26 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66665524 242657635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267871 COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C21H23F4N5O4/c1-19(11-34-20(2,18(26)30-19)21(23,24)25)13-8-12(4-5-14(13)22)29-17(31)15-9-28-16(10-27-15)33-7-6-32-3/h4-5,8-10H,6-7,11H2,1-3H3,(H2,26,30)(H,29,31)/t19-,20+/m0/s1 UGWMYSHLUPGEQV-VQTJNVASSA-N 134361 US8846658, 74 Beta-secretase 1 Homo sapiens 79 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134361&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912803 242657636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267872 C[C@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-10-16(24)27-19(9-29-10,18(21)22)13-6-12(3-4-14(13)20)26-17(28)15-5-2-11(7-23)8-25-15/h2-6,8,10,18H,9H2,1H3,(H2,24,27)(H,26,28)/t10-,19+/m1/s1 VBAWRNLXONMCNM-DGIBIBHMSA-N 134362 US8846658, 75 Beta-secretase 1 Homo sapiens 130 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134362&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118868 242657637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267873 C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-10-16(24)27-19(9-29-10,18(21)22)13-6-12(3-4-14(13)20)26-17(28)15-5-2-11(7-23)8-25-15/h2-6,8,10,18H,9H2,1H3,(H2,24,27)(H,26,28)/t10-,19-/m0/s1 VBAWRNLXONMCNM-OVWNDWIMSA-N 134363 US8846658, 76 Beta-secretase 1 Homo sapiens 46 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118894 242657638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267874 C[C@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18+/m1/s1 SJRMJSRRAFSJFY-LZVRBXCZSA-N 134364 US8846658, 77 Beta-secretase 1 Homo sapiens 92 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912806 242657639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267875 C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18-/m0/s1 SJRMJSRRAFSJFY-YYSFKGJASA-N 134365 US8846658, 78 Beta-secretase 1 Homo sapiens 38 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118864 242657640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267876 CC1(C)OCC(N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18F3N5O2/c1-19(2)18(25)28-20(10-30-19,17(22)23)13-7-12(4-5-14(13)21)27-16(29)15-6-3-11(8-24)9-26-15/h3-7,9,17H,10H2,1-2H3,(H2,25,28)(H,27,29) LGSRJXIWGAGWHY-UHFFFAOYSA-N 134366 US8846658, 79 Beta-secretase 1 Homo sapiens 120 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912935 242657641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267877 CC1(C)OCC(N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H18BrF3N4O2/c1-18(2)17(24)27-19(9-29-18,16(22)23)12-7-11(4-5-13(12)21)26-15(28)14-6-3-10(20)8-25-14/h3-8,16H,9H2,1-2H3,(H2,24,27)(H,26,28) QYJJAJOYUWJUAO-UHFFFAOYSA-N 134367 US8846658, 80 Beta-secretase 1 Homo sapiens 74 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912936 242657642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267878 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)c(F)cc1F InChI=1S/C17H13BrF4N4O2/c18-8-1-2-12(24-5-8)15(27)25-13-3-9(10(19)4-11(13)20)17(16(21)22)7-28-6-14(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27) JFBAPCCCHNRWQY-UHFFFAOYSA-N 134368 US8846658, 81 Beta-secretase 1 Homo sapiens 1100 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912937 242657643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267879 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)c(F)cc1F InChI=1S/C18H13F4N5O2/c19-11-4-12(20)14(26-16(28)13-2-1-9(5-23)6-25-13)3-10(11)18(17(21)22)8-29-7-15(24)27-18/h1-4,6,17H,7-8H2,(H2,24,27)(H,26,28) GMMXGOGXNYUONU-UHFFFAOYSA-N 134369 US8846658, 82 Beta-secretase 1 Homo sapiens 3000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912938 242657644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267880 COc1cc(Br)cnc1C(=O)Nc1cc(c(F)cc1F)C1(COCC(N)=N1)C(F)F InChI=1S/C18H15BrF4N4O3/c1-29-13-2-8(19)5-25-15(13)16(28)26-12-3-9(10(20)4-11(12)21)18(17(22)23)7-30-6-14(24)27-18/h2-5,17H,6-7H2,1H3,(H2,24,27)(H,26,28) RGXSGRWMMFLKAG-UHFFFAOYSA-N 134370 US8846658, 83 Beta-secretase 1 Homo sapiens 2900 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134370&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912939 242657645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267881 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2O)c(F)cc1F InChI=1S/C17H13BrF4N4O3/c18-7-1-12(27)14(24-4-7)15(28)25-11-2-8(9(19)3-10(11)20)17(16(21)22)6-29-5-13(23)26-17/h1-4,16,27H,5-6H2,(H2,23,26)(H,25,28) ZVTWRQBMXRBNQH-UHFFFAOYSA-N 134371 US8846658, 84 Beta-secretase 1 Homo sapiens 930 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913075 242657646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267882 NC1=N[C@@](CF)(COC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c18-10-1-4-14(22-6-10)16(25)23-11-2-3-13(20)12(5-11)17(8-19)9-26-7-15(21)24-17/h1-6H,7-9H2,(H2,21,24)(H,23,25)/t17-/m0/s1 NPOMRTKJJJPJGY-KRWDZBQOSA-N 134372 US8846658, 85 Beta-secretase 1 Homo sapiens 26 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913073 242657647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267883 NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H15BrF2N4O2/c18-10-1-4-14(22-6-10)16(25)23-11-2-3-13(20)12(5-11)17(8-19)9-26-7-15(21)24-17/h1-6H,7-9H2,(H2,21,24)(H,23,25) RSNSLHNMHLVKAA-UHFFFAOYSA-N 134373 US8846658, 86 Beta-secretase 1 Homo sapiens 44 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913072 242657648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267884 NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c18-10-1-4-14(22-6-10)16(25)23-11-2-3-13(20)12(5-11)17(8-19)9-26-7-15(21)24-17/h1-6H,7-9H2,(H2,21,24)(H,23,25) NPOMRTKJJJPJGY-UHFFFAOYSA-N 134374 US8846658, 87 Beta-secretase 1 Homo sapiens 57 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913074 242657649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267885 NC1=NC(CF)(COC1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H14Cl2F2N4O2/c18-9-3-12(19)15(23-5-9)16(26)24-10-1-2-13(21)11(4-10)17(7-20)8-27-6-14(22)25-17/h1-5H,6-8H2,(H2,22,25)(H,24,26) BHTMIZYGXBKFIO-UHFFFAOYSA-N 134375 US8846658, 88 Beta-secretase 1 Homo sapiens 33 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913076 242657650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267886 NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c19-9-18(10-27-8-16(22)25-18)13-5-12(2-3-14(13)20)24-17(26)15-4-1-11(6-21)7-23-15/h1-5,7H,8-10H2,(H2,22,25)(H,24,26) QHMHKWPUZSSVQE-UHFFFAOYSA-N 134376 US8846658, 89 Beta-secretase 1 Homo sapiens 94 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913077 242657651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267887 Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)C1(CF)COCC(N)=N1 InChI=1S/C18H17BrF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26) AMOKELNCOZWYQG-UHFFFAOYSA-N 134377 US8846658, 90 Beta-secretase 1 Homo sapiens 39 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913078 242657652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267888 Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 InChI=1S/C18H17BrF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 AMOKELNCOZWYQG-SFHVURJKSA-N 134378 US8846658, 91 Beta-secretase 1 Homo sapiens 15 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913215 242657653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267889 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 InChI=1S/C18H17ClF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 NQNLROFWOGGJGK-SFHVURJKSA-N 18751 US8846658, 92::US8846658, 93 Beta-secretase 1 Homo sapiens 5 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913216 249493546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267890 NC1=N[C@@](CF)(COC1)c1cc(NC(=O)c2ncc(Br)cc2O)ccc1F InChI=1S/C17H15BrF2N4O3/c18-9-3-13(25)15(22-5-9)16(26)23-10-1-2-12(20)11(4-10)17(7-19)8-27-6-14(21)24-17/h1-5,25H,6-8H2,(H2,21,24)(H,23,26)/t17-/m0/s1 UYYHMVGSGAVEBQ-KRWDZBQOSA-N 134380 US8846658, 94 Beta-secretase 1 Homo sapiens 22 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913217 242657655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267891 COc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 InChI=1S/C18H17BrF2N4O3/c1-27-14-4-10(19)6-23-16(14)17(26)24-11-2-3-13(21)12(5-11)18(8-20)9-28-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 BUEDFMDBDCERNC-SFHVURJKSA-N 134381 US8846658, 95 Beta-secretase 1 Homo sapiens 390 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913218 242657656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267892 NC1=N[C@](CCOC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c20-14-3-2-12(26-17(28)15-4-1-11(8-23)9-25-15)7-13(14)19(18(21)22)5-6-29-10-16(24)27-19/h1-4,7,9,18H,5-6,10H2,(H2,24,27)(H,26,28)/t19-/m0/s1 CNOMMSMRXLJNKB-IBGZPJMESA-N 134382 US8846658, 96 Beta-secretase 1 Homo sapiens 27 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118829 242657657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267893 NC1=N[C@](CCOC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c19-10-1-4-14(24-8-10)16(27)25-11-2-3-13(20)12(7-11)18(17(21)22)5-6-28-9-15(23)26-18/h1-4,7-8,17H,5-6,9H2,(H2,23,26)(H,25,27)/t18-/m0/s1 DQPLXHBLVHXKCN-SFHVURJKSA-N 134383 US8846658, 97 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913219 242657658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267894 NC1=NC(CCOC1)(c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F)C(F)(F)F InChI=1S/C19H15F4N5O2/c20-14-3-2-12(27-17(29)15-4-1-11(8-24)9-26-15)7-13(14)18(19(21,22)23)5-6-30-10-16(25)28-18/h1-4,7,9H,5-6,10H2,(H2,25,28)(H,27,29) XAUNGQDZJFRKNL-UHFFFAOYSA-N 134384 US8846658, 98 Beta-secretase 1 Homo sapiens 240 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913220 242657659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267895 NC1=NC(CCOC1)(c1cc(NC(=O)c2ccc(Br)cn2)ccc1F)C(F)(F)F InChI=1S/C18H15BrF4N4O2/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(20)12(7-11)17(18(21,22)23)5-6-29-9-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28) KMCJEHUJVCXPEJ-UHFFFAOYSA-N 134385 US8846658, 99 Beta-secretase 1 Homo sapiens 140 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913363 242657660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267896 CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O2/c1-17(18(21,22)9-28-8-15(23)26-17)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7H,8-9H2,1H3,(H2,23,26)(H,25,27) BAVSGDZAGDONMG-UHFFFAOYSA-N 134386 US8846658, 100 Beta-secretase 1 Homo sapiens 34 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913364 242657661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267897 CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-17(18(21,22)9-28-8-15(23)26-17)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7H,8-9H2,1H3,(H2,23,26)(H,25,27) QGBORQFFMQILEL-UHFFFAOYSA-N 134387 US8846658, 101 Beta-secretase 1 Homo sapiens 30 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913365 242657662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267898 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2cc(Br)co2)c1 InChI=1S/C16H14BrF2N3O3/c17-10-5-12(25-6-10)14(23)21-11-3-1-2-9(4-11)16(15(18)19)8-24-7-13(20)22-16/h1-6,15H,7-8H2,(H2,20,22)(H,21,23) ICTVRTWUBXQZOS-UHFFFAOYSA-N 134388 US8846658, 102 Beta-secretase 1 Homo sapiens 890 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913366 242657663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267899 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(O)nn2)c1 InChI=1S/C16H15F2N5O3/c17-15(18)16(8-26-7-12(19)21-16)9-2-1-3-10(6-9)20-14(25)11-4-5-13(24)23-22-11/h1-6,15H,7-8H2,(H2,19,21)(H,20,25)(H,23,24) ITKSWDNVBCEALA-UHFFFAOYSA-N 134389 US8846658, 103 Beta-secretase 1 Homo sapiens 7800 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913367 242657664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267900 Cc1nc(co1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C16H16F2N4O3/c1-9-20-12(6-25-9)14(23)21-11-4-2-3-10(5-11)16(15(17)18)8-24-7-13(19)22-16/h2-6,15H,7-8H2,1H3,(H2,19,22)(H,21,23) GBUZSUPNECMGRX-UHFFFAOYSA-N 134390 US8846658, 104 Beta-secretase 1 Homo sapiens 1500 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913368 242657665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267901 CCc1nc(co1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C17H18F2N4O3/c1-2-14-22-12(7-26-14)15(24)21-11-5-3-4-10(6-11)17(16(18)19)9-25-8-13(20)23-17/h3-7,16H,2,8-9H2,1H3,(H2,20,23)(H,21,24) GFKFSIFXBJUBPL-UHFFFAOYSA-N 134391 US8846658, 105 Beta-secretase 1 Homo sapiens 5200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50913369 242657666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267902 Cc1nc(C(=O)Nc2cccc(c2)C2(COCC(N)=N2)C(F)F)c(C)o1 InChI=1S/C17H18F2N4O3/c1-9-14(21-10(2)26-9)15(24)22-12-5-3-4-11(6-12)17(16(18)19)8-25-7-13(20)23-17/h3-6,16H,7-8H2,1-2H3,(H2,20,23)(H,22,24) NSPDTJIIXCMMAO-UHFFFAOYSA-N 134392 US8846658, 106 Beta-secretase 1 Homo sapiens 4000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118871 242657667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267903 COc1cc(Br)cnc1C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C18H17BrF2N4O3/c1-27-13-6-11(19)7-23-15(13)16(26)24-12-4-2-3-10(5-12)18(17(20)21)9-28-8-14(22)25-18/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26) AZWBNMAXYKXDKD-UHFFFAOYSA-N 134393 US8846658, 107 Beta-secretase 1 Homo sapiens 820 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56644904 242657668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267904 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ncc(Br)cc2O)c1 InChI=1S/C17H15BrF2N4O3/c18-10-5-12(25)14(22-6-10)15(26)23-11-3-1-2-9(4-11)17(16(19)20)8-27-7-13(21)24-17/h1-6,16,25H,7-8H2,(H2,21,24)(H,23,26) MRRRJQINMAQVMT-UHFFFAOYSA-N 134394 US8846658, 108 Beta-secretase 1 Homo sapiens 28 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118879 242657669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267905 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F InChI=1S/C19H21F2N5O4/c1-28-5-6-30-16-9-23-14(8-24-16)17(27)25-13-4-2-3-12(7-13)19(18(20)21)11-29-10-15(22)26-19/h2-4,7-9,18H,5-6,10-11H2,1H3,(H2,22,26)(H,25,27) BNGOFKXCTLQIEQ-UHFFFAOYSA-N 134395 US8846658, 109 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67208124 242657670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267906 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2cnc(cn2)C(F)F)c1 InChI=1S/C17H15F4N5O2/c18-14(19)11-5-24-12(6-23-11)15(27)25-10-3-1-2-9(4-10)17(16(20)21)8-28-7-13(22)26-17/h1-6,14,16H,7-8H2,(H2,22,26)(H,25,27) MNMKHNPNWDQPIY-UHFFFAOYSA-N 134396 US8846658, 110 Beta-secretase 1 Homo sapiens 1900 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56644906 242657671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267907 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H13Cl2F3N4O2/c18-8-3-11(19)14(24-5-8)15(27)25-9-1-2-12(20)10(4-9)17(16(21)22)7-28-6-13(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27)/t17-/m0/s1 RANYUTVQHPXCFQ-KRWDZBQOSA-N 134397 US8846658, 111 Beta-secretase 1 Homo sapiens 25 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118897 242657672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267908 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-16(27)14-4-1-10(6-22)7-24-14)5-12(13)18(17(20)21)9-28-8-15(23)26-18/h1-5,7,17H,8-9H2,(H2,23,26)(H,25,27)/t18-/m0/s1 KDQIGIVWGQPWCQ-SFHVURJKSA-N 50012654 CHEMBL3261074 Beta-secretase 1 Homo sapiens 42 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118888 103924907 CHEMBL3261074 ZINC29464633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267909 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C17H13F5N4O2/c18-8-3-12(20)14(24-5-8)15(27)25-9-1-2-11(19)10(4-9)17(16(21)22)7-28-6-13(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27)/t17-/m0/s1 WTCPZYAUXDJZGB-KRWDZBQOSA-N 134398 US8846658, 113 Beta-secretase 1 Homo sapiens 120 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118846 242657673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267910 Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C21H17BrF3N3O3/c1-10-13-6-11(22)2-5-16(13)31-18(10)19(29)27-12-3-4-15(23)14(7-12)21(20(24)25)9-30-8-17(26)28-21/h2-7,20H,8-9H2,1H3,(H2,26,28)(H,27,29)/t21-/m0/s1 BQYRVARYDSJDJF-NRFANRHFSA-N 134399 US8846658, 114 Beta-secretase 1 Homo sapiens 6 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645102 242657674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267911 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2Cl)ccc1F InChI=1S/C17H13BrClF3N4O2/c18-8-3-11(19)14(24-5-8)15(27)25-9-1-2-12(20)10(4-9)17(16(21)22)7-28-6-13(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27)/t17-/m0/s1 KLDFTGBUBUASGA-KRWDZBQOSA-N 134400 US8846658, 117 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645103 242657675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267912 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26)/t17-/m0/s1 WLOOOUPMVOAGDW-KRWDZBQOSA-N 134401 US8846658, 118 Beta-secretase 1 Homo sapiens 14 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645128 242657676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267913 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2O)ccc1F InChI=1S/C17H14BrF3N4O3/c18-8-3-12(26)14(23-5-8)15(27)24-9-1-2-11(19)10(4-9)17(16(20)21)7-28-6-13(22)25-17/h1-5,16,26H,6-7H2,(H2,22,25)(H,24,27)/t17-/m0/s1 UCRIOEOLCJOIOL-KRWDZBQOSA-N 134402 US8846658, 119 Beta-secretase 1 Homo sapiens 10 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118885 242657677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267914 CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C19H19F3N4O3/c1-2-29-12-4-6-15(24-8-12)17(27)25-11-3-5-14(20)13(7-11)19(18(21)22)10-28-9-16(23)26-19/h3-8,18H,2,9-10H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 IGQHGMYJUNSIQV-IBGZPJMESA-N 134403 US8846658, 120 Beta-secretase 1 Homo sapiens 180 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118887 242657678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267915 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C16H13BrF3N5O2/c17-8-4-22-13(23-5-8)14(26)24-9-1-2-11(18)10(3-9)16(15(19)20)7-27-6-12(21)25-16/h1-5,15H,6-7H2,(H2,21,25)(H,24,26)/t16-/m0/s1 DPCVSFUIBBNANR-INIZCTEOSA-N 134404 US8846658, 121 Beta-secretase 1 Homo sapiens 36 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68105617 242657679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267916 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C17H14F5N5O2/c18-10-2-1-8(26-15(28)12-5-24-11(4-25-12)14(19)20)3-9(10)17(16(21)22)7-29-6-13(23)27-17/h1-5,14,16H,6-7H2,(H2,23,27)(H,26,28)/t17-/m0/s1 AOIJYHFJBXMXBN-KRWDZBQOSA-N 134405 US8846658, 122 Beta-secretase 1 Homo sapiens 200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118830 242657680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267917 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C18H16F5N5O3/c19-11-2-1-9(3-10(11)18(17(22)23)8-30-7-14(24)28-18)27-16(29)12-4-26-15(5-25-12)31-6-13(20)21/h1-5,13,17H,6-8H2,(H2,24,28)(H,27,29)/t18-/m0/s1 KADQXWUYWQGVBV-SFHVURJKSA-N 134406 US8846658, 123 Beta-secretase 1 Homo sapiens 97 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87096849 242657681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267918 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C18H15F6N5O3/c19-11-2-1-9(3-10(11)17(16(20)21)7-31-6-13(25)29-17)28-15(30)12-4-27-14(5-26-12)32-8-18(22,23)24/h1-5,16H,6-8H2,(H2,25,29)(H,28,30)/t17-/m0/s1 ZYKHATRVIWWARX-KRWDZBQOSA-N 134407 US8846658, 124 Beta-secretase 1 Homo sapiens 25 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645105 242657682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267919 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc(Br)co2)ccc1F InChI=1S/C16H13BrF3N3O3/c17-8-3-12(26-5-8)14(24)22-9-1-2-11(18)10(4-9)16(15(19)20)7-25-6-13(21)23-16/h1-5,15H,6-7H2,(H2,21,23)(H,22,24)/t16-/m0/s1 IQZCFTCUADKAEQ-INIZCTEOSA-N 134408 US8846658, 125 Beta-secretase 1 Homo sapiens 78 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66666246 242657683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267920 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc3ccccn3n2)ccc1F InChI=1S/C19H16F3N5O2/c20-14-5-4-11(7-13(14)19(18(21)22)10-29-9-16(23)25-19)24-17(28)15-8-12-3-1-2-6-27(12)26-15/h1-8,18H,9-10H2,(H2,23,25)(H,24,28)/t19-/m0/s1 MDXODTFMFWDTKY-IBGZPJMESA-N 134409 US8846658, 126 Beta-secretase 1 Homo sapiens 740 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645106 242657684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267921 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H15F3N4O3/c1-8-21-12(5-26-8)14(24)22-9-2-3-11(17)10(4-9)16(15(18)19)7-25-6-13(20)23-16/h2-5,15H,6-7H2,1H3,(H2,20,23)(H,22,24)/t16-/m0/s1 XZXBUWVLCCTZNZ-INIZCTEOSA-N 134410 US8846658, 127 Beta-secretase 1 Homo sapiens 98 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645107 242657685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267922 Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)o1 InChI=1S/C17H17F3N4O3/c1-8-14(22-9(2)27-8)15(25)23-10-3-4-12(18)11(5-10)17(16(19)20)7-26-6-13(21)24-17/h3-5,16H,6-7H2,1-2H3,(H2,21,24)(H,23,25)/t17-/m0/s1 ZZZPIVDRDSYYLA-KRWDZBQOSA-N 134411 US8846658, 128 Beta-secretase 1 Homo sapiens 170 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118839 242657686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267923 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cn3ccccc3n2)ccc1F InChI=1S/C19H16F3N5O2/c20-13-5-4-11(7-12(13)19(18(21)22)10-29-9-15(23)26-19)24-17(28)14-8-27-6-2-1-3-16(27)25-14/h1-8,18H,9-10H2,(H2,23,26)(H,24,28)/t19-/m0/s1 PLPIYYJZGBRCAN-IBGZPJMESA-N 134412 US8846658, 129 Beta-secretase 1 Homo sapiens 2200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118826 242657687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267924 COc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H16BrF3N4O3/c1-28-13-4-9(19)6-24-15(13)16(27)25-10-2-3-12(20)11(5-10)18(17(21)22)8-29-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 QWVPXISELPMSGX-SFHVURJKSA-N 134413 US8846658, 130 Beta-secretase 1 Homo sapiens 93 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118878 242657688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267925 CCc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C17H17F3N4O3/c1-2-14-23-12(6-27-14)15(25)22-9-3-4-11(18)10(5-9)17(16(19)20)8-26-7-13(21)24-17/h3-6,16H,2,7-8H2,1H3,(H2,21,24)(H,22,25)/t17-/m0/s1 UEOXQEPMCSIOKT-KRWDZBQOSA-N 134414 US8846658, 131 Beta-secretase 1 Homo sapiens 330 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645303 242657689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267926 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F InChI=1S/C18H15F5N4O2/c19-12-3-2-10(26-16(28)13-4-1-9(6-25-13)15(20)21)5-11(12)18(17(22)23)8-29-7-14(24)27-18/h1-6,15,17H,7-8H2,(H2,24,27)(H,26,28)/t18-/m0/s1 GWYQULIPMMGJAU-SFHVURJKSA-N 134415 US8846658, 132 Beta-secretase 1 Homo sapiens 87 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66666124 242657690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267927 Cn1ccnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H16F3N5O2/c1-24-5-4-21-13(24)14(25)22-9-2-3-11(17)10(6-9)16(15(18)19)8-26-7-12(20)23-16/h2-6,15H,7-8H2,1H3,(H2,20,23)(H,22,25)/t16-/m0/s1 UTJRCQHYZVFEDY-INIZCTEOSA-N 134416 US8846658, 133 Beta-secretase 1 Homo sapiens 1000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645304 242657691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267928 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(O)nn2)ccc1F InChI=1S/C16H14F3N5O3/c17-10-2-1-8(21-14(26)11-3-4-13(25)24-23-11)5-9(10)16(15(18)19)7-27-6-12(20)22-16/h1-5,15H,6-7H2,(H2,20,22)(H,21,26)(H,24,25)/t16-/m0/s1 ATTNJTIPIGYNKV-INIZCTEOSA-N 134417 US8846658, 134 Beta-secretase 1 Homo sapiens 260 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645305 242657692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267929 COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C19H20F3N5O4/c1-29-4-5-31-16-8-24-14(7-25-16)17(28)26-11-2-3-13(20)12(6-11)19(18(21)22)10-30-9-15(23)27-19/h2-3,6-8,18H,4-5,9-10H2,1H3,(H2,23,27)(H,26,28)/t19-/m0/s1 SBZDOFNVPNDDLA-IBGZPJMESA-N 134418 US8846658, 135 Beta-secretase 1 Homo sapiens 45 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66666153 242657693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267930 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F InChI=1S/C18H17F4N5O3/c19-3-4-30-15-7-24-13(6-25-15)16(28)26-10-1-2-12(20)11(5-10)18(17(21)22)9-29-8-14(23)27-18/h1-2,5-7,17H,3-4,8-9H2,(H2,23,27)(H,26,28)/t18-/m0/s1 ZOPGZMQBNBVSOI-SFHVURJKSA-N 134419 US8846658, 136 Beta-secretase 1 Homo sapiens 130 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645306 242657694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267931 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26)/t17-/m0/s1 RASUIEXPAHHRBC-KRWDZBQOSA-N 134420 US8846658, 137 Beta-secretase 1 Homo sapiens 30 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118901 242657695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267932 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C18H15F5N4O3/c19-12-3-1-9(5-11(12)18(16(20)21)8-29-7-14(24)27-18)26-15(28)13-4-2-10(6-25-13)30-17(22)23/h1-6,16-17H,7-8H2,(H2,24,27)(H,26,28)/t18-/m0/s1 KOFGSVGFHARRGP-SFHVURJKSA-N 134421 US8846658, 138 Beta-secretase 1 Homo sapiens 42 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645307 242657696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267933 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C18H16F4N4O3/c19-9-29-11-2-4-14(24-6-11)16(27)25-10-1-3-13(20)12(5-10)18(17(21)22)8-28-7-15(23)26-18/h1-6,17H,7-9H2,(H2,23,26)(H,25,27)/t18-/m0/s1 MORMZRVYZMOYHE-SFHVURJKSA-N 134422 US8846658, 139 Beta-secretase 1 Homo sapiens 75 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118896 242657697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267934 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C17H13ClF4N4O2/c18-8-3-12(20)14(24-5-8)15(27)25-9-1-2-11(19)10(4-9)17(16(21)22)7-28-6-13(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27)/t17-/m0/s1 YIFSQGWDENNRQO-KRWDZBQOSA-N 134423 US8846658, 140 Beta-secretase 1 Homo sapiens 43 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645308 242657698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267935 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C16H13ClF3N5O2/c17-12-5-22-11(4-23-12)14(26)24-8-1-2-10(18)9(3-8)16(15(19)20)7-27-6-13(21)25-16/h1-5,15H,6-7H2,(H2,21,25)(H,24,26)/t16-/m0/s1 TXEZTBDCHBLADF-INIZCTEOSA-N 134424 US8846658, 141 Beta-secretase 1 Homo sapiens 33 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87096635 242657699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267936 Cc1cc(n[nH]1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F 134425 US8846658, 142 Beta-secretase 1 Homo sapiens 820 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645510 242657700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267937 Cc1ccc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H17F3N4O2/c1-10-2-3-11(7-23-10)16(26)24-12-4-5-14(19)13(6-12)18(17(20)21)9-27-8-15(22)25-18/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 MDZWUIAVNMSHTF-SFHVURJKSA-N 134426 US8846658, 143 Beta-secretase 1 Homo sapiens 110 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90683576 242657701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267938 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C19H16F3N5O2/c1-10-4-11(6-23)7-25-16(10)17(28)26-12-2-3-14(20)13(5-12)19(18(21)22)9-29-8-15(24)27-19/h2-5,7,18H,8-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 DHIZXRDJXNCTKQ-IBGZPJMESA-N 23140 US8846658, 144::US8846658, 147 Beta-secretase 1 Homo sapiens 17 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118873 249493549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267939 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(O)cn2)ccc1F InChI=1S/C16H14F3N5O3/c17-10-2-1-8(23-14(26)11-4-22-13(25)5-21-11)3-9(10)16(15(18)19)7-27-6-12(20)24-16/h1-5,15H,6-7H2,(H2,20,24)(H,22,25)(H,23,26)/t16-/m0/s1 BGSHPXXXXFROSF-INIZCTEOSA-N 134428 US8846658, 145 Beta-secretase 1 Homo sapiens 340 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645511 242657703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270747 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(C#CC)c2Cl)CC1 InChI=1S/C27H28ClN3O/c1-4-6-18-7-5-8-22(24(18)28)19-9-10-20-16-26(13-11-21(32-3)12-14-26)27(23(20)15-19)30-17(2)25(29)31-27/h5,7-10,15,21H,11-14,16H2,1-3H3,(H2,29,31)/t21-,26-,27? OWDYFPYKCCMOHX-MJPADRBUSA-N 136891 US10231967, Example 123::US8865911, 123::US9918985, Example 123 Beta-secretase 1 Homo sapiens 189 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979336 249813217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267940 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C17H16F3N5O3/c1-27-14-6-22-12(5-23-14)15(26)24-9-2-3-11(18)10(4-9)17(16(19)20)8-28-7-13(21)25-17/h2-6,16H,7-8H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1 UYSCUNKHTZQTPR-KRWDZBQOSA-N 134429 US8846658, 146 Beta-secretase 1 Homo sapiens 100 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66666032 242657704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267941 Cc1nc(cs1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H15F3N4O2S/c1-8-21-12(6-26-8)14(24)22-9-2-3-11(17)10(4-9)16(15(18)19)7-25-5-13(20)23-16/h2-4,6,15H,5,7H2,1H3,(H2,20,23)(H,22,24)/t16-/m0/s1 OUSIXFSEDPAPFO-INIZCTEOSA-N 134430 US8846658, 148 Beta-secretase 1 Homo sapiens 940 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134430&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645512 242657705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267942 Cc1cnc(s1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H15F3N4O2S/c1-8-5-21-14(26-8)13(24)22-9-2-3-11(17)10(4-9)16(15(18)19)7-25-6-12(20)23-16/h2-5,15H,6-7H2,1H3,(H2,20,23)(H,22,24)/t16-/m0/s1 UXEQXTWIWPXCHM-INIZCTEOSA-N 134431 US8846658, 149 Beta-secretase 1 Homo sapiens 700 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134431&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66665840 242657706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267943 Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H16F3N5O2/c1-24-5-4-12(23-24)14(25)21-9-2-3-11(17)10(6-9)16(15(18)19)8-26-7-13(20)22-16/h2-6,15H,7-8H2,1H3,(H2,20,22)(H,21,25)/t16-/m0/s1 CBLDZBBQCRNDJM-INIZCTEOSA-N 134432 US8846658, 150 Beta-secretase 1 Homo sapiens 290 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118828 242657707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267944 Cn1cc(c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)[N+]([O-])=O InChI=1S/C16H15F3N6O4/c1-24-5-11(25(27)28)13(23-24)14(26)21-8-2-3-10(17)9(4-8)16(15(18)19)7-29-6-12(20)22-16/h2-5,15H,6-7H2,1H3,(H2,20,22)(H,21,26)/t16-/m0/s1 WHIJATQLCPCKPU-INIZCTEOSA-N 134433 US8846658, 151 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645513 242657708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267945 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2N)ccc1F InChI=1S/C19H18ClF4N5O2/c1-17(8-31-18(2,16(26)29-17)19(22,23)24)11-6-10(3-4-12(11)21)28-15(30)14-13(25)5-9(20)7-27-14/h3-7H,8,25H2,1-2H3,(H2,26,29)(H,28,30)/t17-,18+/m0/s1 FZJRMPKLJZLTBX-ZWKOTPCHSA-N 134434 US8846658, 153 Beta-secretase 1 Homo sapiens 8 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645514 242657709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267946 CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF6N4O2/c1-17(18(22,23)8-32-7-14(27)30-17)11-5-10(2-3-13(11)21)29-16(31)15-12(20)4-9(6-28-15)19(24,25)26/h2-6H,7-8H2,1H3,(H2,27,30)(H,29,31) IAYMQIFBCQYYCB-UHFFFAOYSA-N 134435 US8846658, 154 Beta-secretase 1 Homo sapiens 120 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118856 242657710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267947 COc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)COCC1(F)F InChI=1S/C19H18BrF3N4O3/c1-18(19(22,23)9-30-8-15(24)27-18)12-6-11(3-4-13(12)21)26-17(28)16-14(29-2)5-10(20)7-25-16/h3-7H,8-9H2,1-2H3,(H2,24,27)(H,26,28) IXSJDCOYPCXMDO-UHFFFAOYSA-N 134436 US8846658, 155 Beta-secretase 1 Homo sapiens 180 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645515 242657711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267948 CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-18(19(21,22)10-29-9-16(24)27-18)13-6-12(3-4-14(13)20)26-17(28)15-5-2-11(7-23)8-25-15/h2-6,8H,9-10H2,1H3,(H2,24,27)(H,26,28) GGQMMJIBNMOCPI-UHFFFAOYSA-N 134437 US8846658, 156 Beta-secretase 1 Homo sapiens 34 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118857 242657712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267949 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc3cncnc3[nH]2)ccc1F 134438 US8846658, 157 Beta-secretase 1 Homo sapiens 5200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645720 242657713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267950 COCCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(N)n1 InChI=1S/C19H21F3N6O4/c1-30-4-5-32-14-7-25-15(16(24)27-14)17(29)26-10-2-3-12(20)11(6-10)19(18(21)22)9-31-8-13(23)28-19/h2-3,6-7,18H,4-5,8-9H2,1H3,(H2,23,28)(H2,24,27)(H,26,29)/t19-/m0/s1 NFAYXTPYAYLORM-IBGZPJMESA-N 134439 US8846658, 158 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66665747 242657714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267951 CCc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C19H19F3N4O2/c1-2-11-3-6-15(24-8-11)17(27)25-12-4-5-14(20)13(7-12)19(18(21)22)10-28-9-16(23)26-19/h3-8,18H,2,9-10H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 YERYLVIVSXKONQ-IBGZPJMESA-N 134440 US8846658, 159 Beta-secretase 1 Homo sapiens 130 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118892 242657715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267952 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2N)ccc1F InChI=1S/C17H15ClF3N5O2/c18-8-3-12(22)14(24-5-8)15(27)25-9-1-2-11(19)10(4-9)17(16(20)21)7-28-6-13(23)26-17/h1-5,16H,6-7,22H2,(H2,23,26)(H,25,27)/t17-/m0/s1 VUEPUGVSDIHZRM-KRWDZBQOSA-N 134441 US8846658, 160 Beta-secretase 1 Homo sapiens 12 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645721 242657716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267953 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(Cl)c1 InChI=1S/C18H16ClF3N4O3/c1-28-10-5-12(19)15(24-6-10)16(27)25-9-2-3-13(20)11(4-9)18(17(21)22)8-29-7-14(23)26-18/h2-6,17H,7-8H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 RPHZZKXVDZPWGK-SFHVURJKSA-N 134442 US8846658, 161 Beta-secretase 1 Homo sapiens 66 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66665225 242657717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267954 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1F 134443 US8846658, 162 Beta-secretase 1 Homo sapiens 8500 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91668579 242657718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267955 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc3cccn3cn2)ccc1F InChI=1S/C19H16F3N5O2/c20-14-4-3-11(6-13(14)19(18(21)22)9-29-8-16(23)26-19)25-17(28)15-7-12-2-1-5-27(12)10-24-15/h1-7,10,18H,8-9H2,(H2,23,26)(H,25,28)/t19-/m0/s1 MPKZNNPGWQZKGY-IBGZPJMESA-N 134444 US8846658, 163 Beta-secretase 1 Homo sapiens 680 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645722 242657719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267956 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C20H18F3N5O3/c1-2-3-6-31-17-9-25-15(8-26-17)18(29)27-12-4-5-14(21)13(7-12)20(19(22)23)11-30-10-16(24)28-20/h4-5,7-9,19H,6,10-11H2,1H3,(H2,24,28)(H,27,29)/t20-/m0/s1 MEWAOSOFVZTZLU-FQEVSTJZSA-N 134445 US8846658, 164 Beta-secretase 1 Homo sapiens 1 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49850057 242657720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267957 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2N)ccc1F InChI=1S/C17H15BrF3N5O2/c18-8-3-12(22)14(24-5-8)15(27)25-9-1-2-11(19)10(4-9)17(16(20)21)7-28-6-13(23)26-17/h1-5,16H,6-7,22H2,(H2,23,26)(H,25,27)/t17-/m0/s1 DZICWSPROOMALF-KRWDZBQOSA-N 134446 US8846658, 165 Beta-secretase 1 Homo sapiens 8 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118886 242657721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267958 CCn1ccnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C17H18F3N5O2/c1-2-25-6-5-22-14(25)15(26)23-10-3-4-12(18)11(7-10)17(16(19)20)9-27-8-13(21)24-17/h3-7,16H,2,8-9H2,1H3,(H2,21,24)(H,23,26)/t17-/m0/s1 FBNZAZZZKUMSCC-KRWDZBQOSA-N 134447 US8846658, 166 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118838 242657722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267959 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C19H16F3N5O3/c1-2-5-30-16-8-24-14(7-25-16)17(28)26-11-3-4-13(20)12(6-11)19(18(21)22)10-29-9-15(23)27-19/h1,3-4,6-8,18H,5,9-10H2,(H2,23,27)(H,26,28)/t19-/m0/s1 ANBUSERKTHLJHR-IBGZPJMESA-N 134448 US8846658, 167 Beta-secretase 1 Homo sapiens 3 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645723 242657723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267960 Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(N)o1 InChI=1S/C16H16F3N5O3/c1-7-22-12(13(21)27-7)14(25)23-8-2-3-10(17)9(4-8)16(15(18)19)6-26-5-11(20)24-16/h2-4,15H,5-6,21H2,1H3,(H2,20,24)(H,23,25)/t16-/m0/s1 HSUQJQQFXFPGTI-INIZCTEOSA-N 134449 US8846658, 168 Beta-secretase 1 Homo sapiens 260 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66666081 242657724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267961 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2O)ccc1F InChI=1S/C17H14ClF3N4O3/c18-8-3-12(26)14(23-5-8)15(27)24-9-1-2-11(19)10(4-9)17(16(20)21)7-28-6-13(22)25-17/h1-5,16,26H,6-7H2,(H2,22,25)(H,24,27)/t17-/m0/s1 VLDQODACOIIKER-KRWDZBQOSA-N 134450 US8846658, 169 Beta-secretase 1 Homo sapiens 12 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645724 242657725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267962 CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C19H20F3N5O3/c1-10(2)30-16-7-24-14(6-25-16)17(28)26-11-3-4-13(20)12(5-11)19(18(21)22)9-29-8-15(23)27-19/h3-7,10,18H,8-9H2,1-2H3,(H2,23,27)(H,26,28)/t19-/m0/s1 DWDJFKJCOUIPTR-IBGZPJMESA-N 134451 US8846658, 170 Beta-secretase 1 Homo sapiens 340 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66668790 242657726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267963 CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H18F3N5O3/c1-2-29-15-7-23-13(6-24-15)16(27)25-10-3-4-12(19)11(5-10)18(17(20)21)9-28-8-14(22)26-18/h3-7,17H,2,8-9H2,1H3,(H2,22,26)(H,25,27)/t18-/m0/s1 HEFWYMDXBRQJHR-SFHVURJKSA-N 134452 US8846658, 171 Beta-secretase 1 Homo sapiens 49 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645725 242657727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267964 CN(C)Cc1ccc2oc(C(=O)Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c(C)c2c1 InChI=1S/C24H25F3N4O3/c1-13-16-8-14(10-31(2)3)4-7-19(16)34-21(13)22(32)29-15-5-6-18(25)17(9-15)24(23(26)27)12-33-11-20(28)30-24/h4-9,23H,10-12H2,1-3H3,(H2,28,30)(H,29,32)/t24-/m0/s1 JOOYEPMWNZTNNB-DEOSSOPVSA-N 134453 US8846658, 172 Beta-secretase 1 Homo sapiens 9 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645920 242657728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267965 Cc1c(nnn1C)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H17F3N6O2/c1-8-13(23-24-25(8)2)14(26)21-9-3-4-11(17)10(5-9)16(15(18)19)7-27-6-12(20)22-16/h3-5,15H,6-7H2,1-2H3,(H2,20,22)(H,21,26)/t16-/m0/s1 GKUQBILDQJOXTH-INIZCTEOSA-N 134454 US8846658, 173 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645922 242657729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267966 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)n1 InChI=1S/C18H18F3N5O3/c1-9-15(23-6-14(24-9)28-2)16(27)25-10-3-4-12(19)11(5-10)18(17(20)21)8-29-7-13(22)26-18/h3-6,17H,7-8H2,1-2H3,(H2,22,26)(H,25,27)/t18-/m0/s1 QCCWNEWVJSSXTH-SFHVURJKSA-N 134455 US8846658, 174 Beta-secretase 1 Homo sapiens 210 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645921 242657730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267967 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(N)n1 InChI=1S/C17H17F3N6O3/c1-28-12-5-23-13(14(22)25-12)15(27)24-8-2-3-10(18)9(4-8)17(16(19)20)7-29-6-11(21)26-17/h2-5,16H,6-7H2,1H3,(H2,21,26)(H2,22,25)(H,24,27)/t17-/m0/s1 PQNCTIXRVDHLMZ-KRWDZBQOSA-N 134456 US8846658, 175 Beta-secretase 1 Homo sapiens 16 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60142813 242657731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267968 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C19H17F5N4O3/c1-9-4-11(31-18(23)24)6-26-15(9)16(29)27-10-2-3-13(20)12(5-10)19(17(21)22)8-30-7-14(25)28-19/h2-6,17-18H,7-8H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 NSVDKFCBXGHJRA-IBGZPJMESA-N 134457 US8846658, 176 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118882 242657732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267969 Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C19H18F4N4O3/c1-10-4-12(30-9-20)6-25-16(10)17(28)26-11-2-3-14(21)13(5-11)19(18(22)23)8-29-7-15(24)27-19/h2-6,18H,7-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 WUHYZWNJZPFRRZ-IBGZPJMESA-N 134458 US8846658, 177 Beta-secretase 1 Homo sapiens 29 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645923 242657733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267970 COCCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)n1 InChI=1S/C20H22F3N5O4/c1-11-17(25-8-16(26-11)32-6-5-30-2)18(29)27-12-3-4-14(21)13(7-12)20(19(22)23)10-31-9-15(24)28-20/h3-4,7-8,19H,5-6,9-10H2,1-2H3,(H2,24,28)(H,27,29)/t20-/m0/s1 YQNKMDOJYUDEDD-FQEVSTJZSA-N 134459 US8846658, 178 Beta-secretase 1 Homo sapiens 170 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66665807 242657734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267971 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(OC)c1 InChI=1S/C19H19F3N4O4/c1-28-11-6-14(29-2)16(24-7-11)17(27)25-10-3-4-13(20)12(5-10)19(18(21)22)9-30-8-15(23)26-19/h3-7,18H,8-9H2,1-2H3,(H2,23,26)(H,25,27)/t19-/m0/s1 CBZXJHNIGVYMNJ-IBGZPJMESA-N 134460 US8846658, 179 Beta-secretase 1 Homo sapiens 920 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118881 242657735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267972 COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C20H21F3N4O4/c1-29-6-7-31-13-3-5-16(25-9-13)18(28)26-12-2-4-15(21)14(8-12)20(19(22)23)11-30-10-17(24)27-20/h2-5,8-9,19H,6-7,10-11H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 QFVHGARCQKVZOL-FQEVSTJZSA-N 134461 US8846658, 180 Beta-secretase 1 Homo sapiens 340 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645924 242657736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267973 COCCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(F)c1 InChI=1S/C20H20F4N4O4/c1-30-4-5-32-12-7-15(22)17(26-8-12)18(29)27-11-2-3-14(21)13(6-11)20(19(23)24)10-31-9-16(25)28-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1 HJVKJVKFIJNIQM-FQEVSTJZSA-N 134462 US8846658, 181 Beta-secretase 1 Homo sapiens 340 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118853 242657737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267974 CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)n1 InChI=1S/C21H20F3N5O3/c1-3-4-7-32-17-9-26-18(12(2)27-17)19(30)28-13-5-6-15(22)14(8-13)21(20(23)24)11-31-10-16(25)29-21/h5-6,8-9,20H,7,10-11H2,1-2H3,(H2,25,29)(H,28,30)/t21-/m0/s1 GYPHJLCLFZEIHF-NRFANRHFSA-N 134463 US8846658, 182 Beta-secretase 1 Homo sapiens 4 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60141689 242657738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267975 COCc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(Cl)c1 InChI=1S/C19H18ClF3N4O3/c1-29-7-10-4-13(20)16(25-6-10)17(28)26-11-2-3-14(21)12(5-11)19(18(22)23)9-30-8-15(24)27-19/h2-6,18H,7-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 AGGCPSHNHGXPJR-IBGZPJMESA-N 134464 US8846658, 183 Beta-secretase 1 Homo sapiens 700 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645925 242657739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267976 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F InChI=1S/C18H15ClF4N4O3/c19-12-4-10(30-8-20)5-25-15(12)16(28)26-9-1-2-13(21)11(3-9)18(17(22)23)7-29-6-14(24)27-18/h1-5,17H,6-8H2,(H2,24,27)(H,26,28)/t18-/m0/s1 UNXLSXAPWMBKPT-SFHVURJKSA-N 134465 US8846658, 184 Beta-secretase 1 Homo sapiens 59 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56646113 242657740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 267977 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(CC(F)F)cc2Cl)ccc1F InChI=1S/C19H16ClF5N4O2/c20-12-3-9(4-14(22)23)6-27-16(12)17(30)28-10-1-2-13(21)11(5-10)19(18(24)25)8-31-7-15(26)29-19/h1-3,5-6,14,18H,4,7-8H2,(H2,26,29)(H,28,30)/t19-/m0/s1 LDQBTKLAXSSWHP-IBGZPJMESA-N 134466 US8846658, 185 Beta-secretase 1 Homo sapiens 50 4.5 25.00 C US Patent 10.7270/Q2PN94BX aid1800697 US8846658 Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90683577 242657741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270748 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)(F)F InChI=1S/C18H19BrF3N3/c1-10-15(23)25-17(24-10)14-8-13(19)3-2-11(14)9-16(17)6-4-12(5-7-16)18(20,21)22/h2-3,8,12H,4-7,9H2,1H3,(H2,23,25) NTHHXIKGFGHHJO-UHFFFAOYSA-N 136894 US10231967, Example 124::US8865911, 124::US9918985, Example 124 Beta-secretase 1 Homo sapiens 19300 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979367 249813220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270749 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-12-19(28-14-16-4-3-5-16)7-6-17(20)13-22(23)10-8-18(27-2)9-11-22/h6-7,12,16,18H,3-5,8-11,13-14H2,1-2H3,(H2,24,26)/t18-,22-,23? XWVPZETUJYENCA-VYNBAUGJSA-N 136898 US10231967, Example 126::US8865911, 126::US9000185, 6::US9918985, Example 126 Beta-secretase 1 Homo sapiens 20 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979441 249813224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270750 COCc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C27H29FN4O2/c1-16-25(30)32-27(31-16)23-12-17(19-10-20(14-29)24(28)21(11-19)15-33-2)4-5-18(23)13-26(27)8-6-22(34-3)7-9-26/h4-5,10-12,22H,6-9,13,15H2,1-3H3,(H2,30,32)/t22-,26-,27? XWRREAIVFZDEEK-JZGZJDTKSA-N 136899 US10231967, Example 127::US8865911, 127::US9918985, Example 127 Beta-secretase 1 Homo sapiens 34 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979574 249813225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270751 CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)F InChI=1S/C18H20BrF2N3/c1-10-16(22)24-18(23-10)14-8-13(19)3-2-12(14)9-17(18)6-4-11(5-7-17)15(20)21/h2-3,8,11,15H,4-7,9H2,1H3,(H2,22,24) SEMLTECGFLAMPC-UHFFFAOYSA-N 136903 US10231967, Example 128::US8865911, 128::US9918985, Example 128 Beta-secretase 1 Homo sapiens 2610 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979577 249813229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270752 CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(CC1)C(F)F)-c1cncc(Cl)c1 InChI=1S/C23H23ClF2N4/c1-13-21(27)30-23(29-13)19-9-15(17-8-18(24)12-28-11-17)2-3-16(19)10-22(23)6-4-14(5-7-22)20(25)26/h2-3,8-9,11-12,14,20H,4-7,10H2,1H3,(H2,27,30) YGKQMZYHQKDGRZ-UHFFFAOYSA-N 136904 US10231967, Example 129::US8865911, 129::US9918985, Example 129 Beta-secretase 1 Homo sapiens 748 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979384 249813230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270753 CCO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C19H24BrN3O/c1-3-24-15-6-8-18(9-7-15)11-13-4-5-14(20)10-16(13)19(18)22-12(2)17(21)23-19/h4-5,10,15H,3,6-9,11H2,1-2H3,(H2,21,23)/t15-,18-,19? BGVASHDMRXAQIW-DUWYVTJWSA-N 136908 US10231967, Example 130::US8865911, 130::US9918985, Example 130 Beta-secretase 1 Homo sapiens 842 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979538 249813234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270754 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C25H27F3N4O/c1-3-33-20-6-8-23(9-7-20)12-17-5-4-16(18-10-19(14-30-13-18)25(26,27)28)11-21(17)24(23)31-15(2)22(29)32-24/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3,(H2,29,32)/t20-,23-,24? ROMALOVSXMWQTO-MOOVDDBPSA-N 136909 US10231967, Example 131::US8865911, 131::US9918985, Example 131 Beta-secretase 1 Homo sapiens 44 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979571 249813235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270755 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C26H27FN4O/c1-3-32-22-6-8-25(9-7-22)14-19-5-4-18(20-10-17(15-28)11-21(27)12-20)13-23(19)26(25)30-16(2)24(29)31-26/h4-5,10-13,22H,3,6-9,14H2,1-2H3,(H2,29,31)/t22-,25-,26? VHAUFUROQRJMRS-HDVKRFLQSA-N 136910 US10231967, Example 132::US8865911, 132::US9918985, Example 132 Beta-secretase 1 Homo sapiens 21 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979599 249813236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270756 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 InChI=1S/C24H27ClN4O/c1-3-30-20-6-8-23(9-7-20)12-17-5-4-16(18-10-19(25)14-27-13-18)11-21(17)24(23)28-15(2)22(26)29-24/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3,(H2,26,29)/t20-,23-,24? GOOGDNLQKOSOJY-MOOVDDBPSA-N 136911 US10231967, Example 133::US8865911, 133::US9918985, Example 133 Beta-secretase 1 Homo sapiens 25 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979512 249813237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270757 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 InChI=1S/C27H28F2N4O/c1-3-34-22-6-8-26(9-7-22)14-19-5-4-18(13-23(19)27(26)32-16(2)25(31)33-27)20-10-17(15-30)11-21(12-20)24(28)29/h4-5,10-13,22,24H,3,6-9,14H2,1-2H3,(H2,31,33)/t22-,26-,27? WPIVAKLBMCTDCK-JZGZJDTKSA-N 136912 US10231967, Example 134::US8865911, 134::US9918985, Example 134 Beta-secretase 1 Homo sapiens 28 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979318 249813238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 270758 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C27H30N4O/c1-4-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(10-12-26)32-5-2)27(24(21)14-20)30-18(3)25(28)31-27/h7-8,13-14,16-17,23H,5,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27? YTYDNLGBBFZDFG-HAOYJSTOSA-N 136913 US10231967, Example 135::US8865911, 135::US9918985, Example 135 Beta-secretase 1 Homo sapiens 22 9.2 US Patent 10.7270/Q2T72G4T aid1800730 US8865911 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979311 249813239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279431 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens 0.949 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51039270 251971813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279432 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C18H17F4N5O3S/c1-17(9-31(29,30)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(28)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,28)/t17-/m0/s1 XBJQDMHXDUQMJV-KRWDZBQOSA-N 143219 US8940748, 26::US9029362, 26::US9687494, 26 Beta-secretase 1 Homo sapiens 1.261 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111677 251971814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279433 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 1.753 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279434 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1 QEDBRPQZTWTMTK-KRWDZBQOSA-N 143221 US8940748, 36::US9029362, 36::US9687494, 36 Beta-secretase 1 Homo sapiens 10 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51352402 251971816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279435 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H18F2N6O4S/c1-17(8-30(27,28)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(26)12-6-22-13(29-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,26)/t17-/m0/s1 QGPBROSNFKNVFL-KRWDZBQOSA-N 143222 US8940748, 40di::US9029362, 40di::US9687494, 40di Beta-secretase 1 Homo sapiens 1.05 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111419 251971817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279436 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F InChI=1S/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/m0/s1 LWWIOJQKELULTO-SFHVURJKSA-N 143223 US8940748, 35::US9029362, 35::US9687494, 35 Beta-secretase 1 Homo sapiens 3 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111335 251971818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279437 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F InChI=1S/C17H16F3N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)13-10(19)4-6-11(14(13)20)23-15(26)12-5-3-9(18)7-22-12/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1 VXLAYHUGSSZHSG-KRWDZBQOSA-N 143224 US8940748, 173::US9687494, 173 Beta-secretase 1 Homo sapiens 4.88 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111673 251971819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279438 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C16H16N4O2S2/c1-16(10-24(21,22)20(2)15(18)19-16)14-7-13(9-23-14)12-5-3-4-11(6-12)8-17/h3-7,9H,10H2,1-2H3,(H2,18,19)/t16-/m0/s1 WRIHQAVUMDUZBP-INIZCTEOSA-N 143225 US8940748, 45::US9029362, 45::US9687494, 45 Beta-secretase 1 Homo sapiens 25.6 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111517 251971820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279439 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1ccc(F)c(c1)C#N InChI=1S/C16H15FN4O2S2/c1-16(9-25(22,23)21(2)15(19)20-16)14-6-12(8-24-14)10-3-4-13(17)11(5-10)7-18/h3-6,8H,9H2,1-2H3,(H2,19,20)/t16-/m0/s1 BRXXBTMKBTXEJJ-INIZCTEOSA-N 143226 US8940748, 46::US9029362, 46::US9687494, 46 Beta-secretase 1 Homo sapiens 46 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111513 251971821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279440 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1 VKVMIZCLMUKTTA-KRWDZBQOSA-N 143227 US8940748, 52::US9029362, 52::US9687494, 52 Beta-secretase 1 Homo sapiens 2.387 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66J 5HTZ 68111516 251971822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 279441 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H19FN6O4S/c1-17(9-29(26,27)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(25)13-7-21-14(28-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1 DJIXTIKKTNRBEW-KRWDZBQOSA-N 143228 US8940748, 40ai::US9029362, 40ai::US9687494, 40ai Beta-secretase 1 Homo sapiens 1.64 5.01 US Patent 10.7270/Q2ZC81MM aid1800873 US8940748 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111681 251971823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278155 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1 CUNQNADGWRXYCV-SDBXPKJASA-N 142391 US8933221, 1 Beta-secretase 1 Homo sapiens 6700 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VO 4WY1 71268850 251920384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278156 CC(C)OC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F InChI=1S/C17H23FN2O2S/c1-11(2)21-8-13-7-12-9-23-16(19)20-17(12,10-22-13)14-5-3-4-6-15(14)18/h3-6,11-13H,7-10H2,1-2H3,(H2,19,20)/t12-,13+,17-/m0/s1 HSMUHLAUUMGHHB-AHIWAGSCSA-N 142392 US8933221, 2 Beta-secretase 1 Homo sapiens 396 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268769 251920385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278157 NC1=N[C@]2(CO[C@@H](CO)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C14H16F2N2O2S/c15-9-1-2-11(12(16)4-9)14-7-20-10(5-19)3-8(14)6-21-13(17)18-14/h1-2,4,8,10,19H,3,5-7H2,(H2,17,18)/t8-,10+,14-/m0/s1 XWTBXUVJQZBSOM-HNXYLICVSA-N 142393 US8933221, 3 Beta-secretase 1 Homo sapiens 2270 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268858 251920386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278158 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1 HUZWRILIHNBINL-HNXYLICVSA-N 142394 US8933221, 4 Beta-secretase 1 Homo sapiens 1390 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VP 4WY6 71268741 251920387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278159 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccccc1F InChI=1S/C14H16F2N2OS/c15-6-10-5-9-7-20-13(17)18-14(9,8-19-10)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H2,17,18)/t9-,10+,14-/m0/s1 NWEXGZFJCUONNX-RBZYPMLTSA-N 142395 US8933221, 5 Beta-secretase 1 Homo sapiens 838 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268737 251920388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278160 NC1=N[C@]2(CO[C@@H](COCc3ccccc3)C[C@H]2CO1)c1ccc(F)cc1F InChI=1S/C21H22F2N2O3/c22-16-6-7-18(19(23)9-16)21-13-28-17(8-15(21)11-27-20(24)25-21)12-26-10-14-4-2-1-3-5-14/h1-7,9,15,17H,8,10-13H2,(H2,24,25)/t15-,17+,21-/m0/s1 CPAVQEOYMDFNLT-XPIZARPCSA-N 142365 US8933221, 6 Beta-secretase 1 Homo sapiens 32.3 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71277794 251920360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278161 NC1=N[C@]2(CO[C@@H](COc3ccccc3)C[C@H]2CS1)c1ccccc1F InChI=1S/C20H21FN2O2S/c21-18-9-5-4-8-17(18)20-13-25-16(10-14(20)12-26-19(22)23-20)11-24-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H2,22,23)/t14-,16+,20-/m0/s1 HVCHPAIGQLRCGM-NBQZKYEYSA-N 142366 US8933221, 7 Beta-secretase 1 Homo sapiens 826 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268856 251920361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278162 NC1=N[C@]2(CO[C@@H](COc3ccccn3)C[C@H]2CS1)c1ccccc1F InChI=1S/C19H20FN3O2S/c20-16-6-2-1-5-15(16)19-12-25-14(9-13(19)11-26-18(21)23-19)10-24-17-7-3-4-8-22-17/h1-8,13-14H,9-12H2,(H2,21,23)/t13-,14+,19-/m0/s1 GWHRFBLVWFXSNN-KSMMKXTCSA-N 142367 US8933221, 8 Beta-secretase 1 Homo sapiens 2380 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268882 251920362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278163 CCOC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F InChI=1S/C16H21FN2O2S/c1-2-20-8-12-7-11-9-22-15(18)19-16(11,10-21-12)13-5-3-4-6-14(13)17/h3-6,11-12H,2,7-10H2,1H3,(H2,18,19)/t11-,12+,16-/m0/s1 XJAAJTNTRUKWLE-OZVIIMIRSA-N 142368 US8933221, 9 Beta-secretase 1 Homo sapiens 914 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268762 251920363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278164 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1 CUNQNADGWRXYCV-SDBXPKJASA-N 142369 US8933221, 10 Beta-secretase 1 Homo sapiens 5100 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VO 4WY1 71268850 251920364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278165 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1 InChI=1S/C13H15FN2OS/c14-11-3-1-9(2-4-11)13-8-17-6-5-10(13)7-18-12(15)16-13/h1-4,10H,5-8H2,(H2,15,16)/t10-,13+/m0/s1 RSHQLBGFXTXOPJ-GXFFZTMASA-N 142370 US8933221, 11 Beta-secretase 1 Homo sapiens 7520 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142370&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268806 251920365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278166 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1F InChI=1S/C13H15FN2OS/c14-11-4-2-1-3-10(11)13-8-17-6-5-9(13)7-18-12(15)16-13/h1-4,9H,5-8H2,(H2,15,16)/t9-,13-/m0/s1 WTXBHLMRVJGNPZ-ZANVPECISA-N 142371 US8933221, 12::US8933221, 23::US8933221, 24 Beta-secretase 1 Homo sapiens 7950 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58406002 251920366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278167 Cc1ccc(c(F)c1)[C@]12COCC[C@H]1CSC(N)=N2 InChI=1S/C14H17FN2OS/c1-9-2-3-11(12(15)6-9)14-8-18-5-4-10(14)7-19-13(16)17-14/h2-3,6,10H,4-5,7-8H2,1H3,(H2,16,17)/t10-,14-/m0/s1 FSSKXZAKBHTMFR-HZMBPMFUSA-N 142372 US8933221, 13 Beta-secretase 1 Homo sapiens 3730 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268736 251920367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278168 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1 InChI=1S/C13H16N2OS/c14-12-15-13(10-4-2-1-3-5-10)9-16-7-6-11(13)8-17-12/h1-5,11H,6-9H2,(H2,14,15)/t11-,13+/m0/s1 MDBORBJSSORCJZ-WCQYABFASA-N 142373 US8933221, 14 Beta-secretase 1 Homo sapiens 10400 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268778 251920368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278169 NC1=N[C@]2(CO[C@@H](COC(=O)c3ccccc3)C[C@H]2CS1)c1ccccc1F InChI=1S/C21H21FN2O3S/c22-18-9-5-4-8-17(18)21-13-27-16(10-15(21)12-28-20(23)24-21)11-26-19(25)14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H2,23,24)/t15-,16+,21-/m0/s1 YVXFZFDTMXKTAG-MRUHUIDDSA-N 142374 US8933221, 15 Beta-secretase 1 Homo sapiens 13000 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268900 251920369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278170 NC1=N[C@]2(COCC[C@H]2CS1)c1c(F)cccc1F InChI=1S/C13H14F2N2OS/c14-9-2-1-3-10(15)11(9)13-7-18-5-4-8(13)6-19-12(16)17-13/h1-3,8H,4-7H2,(H2,16,17)/t8-,13-/m0/s1 MZOZPVXTOGNPET-SDBXPKJASA-N 142375 US8933221, 16 Beta-secretase 1 Homo sapiens 13800 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268770 251920370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278171 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(Cl)cc1F InChI=1S/C13H14ClFN2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1 TUJSPZGQVVTQNT-SDBXPKJASA-N 142376 US8933221, 17 Beta-secretase 1 Homo sapiens 10200 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268732 251920371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278172 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(O)cc1F InChI=1S/C13H15FN2O2S/c14-11-5-9(17)1-2-10(11)13-7-18-4-3-8(13)6-19-12(15)16-13/h1-2,5,8,17H,3-4,6-7H2,(H2,15,16)/t8-,13-/m0/s1 VEXGGTNTMZQZRK-SDBXPKJASA-N 142377 US8933221, 18 Beta-secretase 1 Homo sapiens 5350 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268714 251920372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278173 COc1ccccc1[C@]12COCC[C@H]1CSC(N)=N2 InChI=1S/C14H18N2O2S/c1-17-12-5-3-2-4-11(12)14-9-18-7-6-10(14)8-19-13(15)16-14/h2-5,10H,6-9H2,1H3,(H2,15,16)/t10-,14-/m0/s1 KPKGHQOJLMRIRM-HZMBPMFUSA-N 142378 US8933221, 19 Beta-secretase 1 Homo sapiens >100000 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268733 251920373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278174 NC1=N[C@@]2(COCC[C@@H]2CS1)c1ccc(F)cc1F InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m1/s1 CUNQNADGWRXYCV-AMIZOPFISA-N 142379 US8933221, 20 Beta-secretase 1 Homo sapiens >100000 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71277796 251920374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278175 NC1=N[C@]2(CO[C@@H](COc3cnccn3)C[C@H]2CS1)c1ccccc1F InChI=1S/C18H19FN4O2S/c19-15-4-2-1-3-14(15)18-11-25-13(7-12(18)10-26-17(20)23-18)9-24-16-8-21-5-6-22-16/h1-6,8,12-13H,7,9-11H2,(H2,20,23)/t12-,13+,18-/m0/s1 CHLYFPUOMSXHOI-JCGVRSQUSA-N 142380 US8933221, 21 Beta-secretase 1 Homo sapiens 2030 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268735 251920375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278176 NC1=N[C@]2(CO[C@@H](COc3ncccn3)C[C@H]2CS1)c1ccccc1F InChI=1S/C18H19FN4O2S/c19-15-5-2-1-4-14(15)18-11-25-13(8-12(18)10-26-16(20)23-18)9-24-17-21-6-3-7-22-17/h1-7,12-13H,8-11H2,(H2,20,23)/t12-,13+,18-/m0/s1 HOIHDRHWNUKIQP-JCGVRSQUSA-N 142381 US8933221, 22 Beta-secretase 1 Homo sapiens 8030 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71268744 251920376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278177 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1F InChI=1S/C13H15FN2OS/c14-11-4-2-1-3-10(11)13-8-17-6-5-9(13)7-18-12(15)16-13/h1-4,9H,5-8H2,(H2,15,16)/t9-,13-/m0/s1 WTXBHLMRVJGNPZ-ZANVPECISA-N 142371 US8933221, 12::US8933221, 23::US8933221, 24 Beta-secretase 1 Homo sapiens 7950 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58406002 251920366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278178 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1F InChI=1S/C13H15FN2OS/c14-11-4-2-1-3-10(11)13-8-17-6-5-9(13)7-18-12(15)16-13/h1-4,9H,5-8H2,(H2,15,16)/t9-,13-/m0/s1 WTXBHLMRVJGNPZ-ZANVPECISA-N 142371 US8933221, 12::US8933221, 23::US8933221, 24 Beta-secretase 1 Homo sapiens 4540 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58406002 251920366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278179 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1OC(F)(F)F InChI=1S/C14H15F3N2O2S/c15-14(16,17)21-11-4-2-1-3-10(11)13-8-20-6-5-9(13)7-22-12(18)19-13/h1-4,9H,5-8H2,(H2,18,19)/t9-,13-/m0/s1 TTZTYQQZJBBUDI-ZANVPECISA-N 142384 US8933221, 25 Beta-secretase 1 Homo sapiens 87900 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59281187 251920377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278180 COC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F InChI=1S/C15H19FN2O2S/c1-19-7-11-6-10-8-21-14(17)18-15(10,9-20-11)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9H2,1H3,(H2,17,18)/t10-,11+,15-/m0/s1 UTWDCJAHDBOHPF-RWSFTLGLSA-N 142385 US8933221, 26 Beta-secretase 1 Homo sapiens 1240 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58406128 251920378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278181 C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1ccccc1F InChI=1S/C14H17FN2OS/c1-9-10-6-7-18-8-14(10,17-13(16)19-9)11-4-2-3-5-12(11)15/h2-5,9-10H,6-8H2,1H3,(H2,16,17)/t9-,10+,14+/m1/s1 WMWGKSSCFRXZOM-BFVZDQMLSA-N 142386 US8933221, 27 Beta-secretase 1 Homo sapiens 6720 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58406091 251920379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278182 C[C@@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1ccccc1F InChI=1S/C14H17FN2OS/c1-9-10-6-7-18-8-14(10,17-13(16)19-9)11-4-2-3-5-12(11)15/h2-5,9-10H,6-8H2,1H3,(H2,16,17)/t9-,10-,14-/m0/s1 WMWGKSSCFRXZOM-BHDSKKPTSA-N 142387 US8933221, 28 Beta-secretase 1 Homo sapiens 11200 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71277797 251920380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278183 NC1=N[C@]2(CO[C@@H](CO)C[C@H]2CS1)c1ccccc1F InChI=1S/C14H17FN2O2S/c15-12-4-2-1-3-11(12)14-8-19-10(6-18)5-9(14)7-20-13(16)17-14/h1-4,9-10,18H,5-8H2,(H2,16,17)/t9-,10+,14-/m0/s1 QOTXVNVFFXKYIK-RBZYPMLTSA-N 142388 US8933221, 29 Beta-secretase 1 Homo sapiens 8410 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58406040 251920381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278184 C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1cc(Br)ccc1F InChI=1S/C14H16BrFN2OS/c1-8-10-4-5-19-7-14(10,18-13(17)20-8)11-6-9(15)2-3-12(11)16/h2-3,6,8,10H,4-5,7H2,1H3,(H2,17,18)/t8-,10+,14+/m1/s1 OBRZLTLARDVHMD-YACGNSKGSA-N 142389 US8933221, 30 Beta-secretase 1 Homo sapiens 27800 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71277798 251920382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 278185 C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1cc(ccc1F)-c1cncnc1 InChI=1S/C18H19FN4OS/c1-11-14-4-5-24-9-18(14,23-17(20)25-11)15-6-12(2-3-16(15)19)13-7-21-10-22-8-13/h2-3,6-8,10-11,14H,4-5,9H2,1H3,(H2,20,23)/t11-,14+,18+/m1/s1 ACZODTCKQQJIBF-VZSAFFHGSA-N 142390 US8933221, 31 Beta-secretase 1 Homo sapiens 3000 US Patent 10.7270/Q2513WXH aid1800853 US8933221 Brodney, MA; Butler, CR; Helal, CJ; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71277799 251920383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284483 COc1ccc2Oc3ccc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)-c1cncnc1 InChI=1S/C21H17N5O3/c1-26-19(27)21(25-20(26)22)15-7-12(13-9-23-11-24-10-13)3-5-17(15)29-18-6-4-14(28-2)8-16(18)21/h3-11H,1-2H3,(H2,22,25)/t21-/m1/s1 AWBMWDZEKXHQHX-OAQYLSRUSA-N 147148 US8957083, 8 Beta-secretase 1 Homo sapiens 13.4 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67616251 252108074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284484 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 InChI=1S/C26H21FN4O3/c1-31-24(32)26(30-25(31)28)19-13-16(15-8-11-33-12-9-15)4-6-21(19)34-22-7-5-17(14-20(22)26)18-3-2-10-29-23(18)27/h2-8,10,13-14H,9,11-12H2,1H3,(H2,28,30)/t26-/m0/s1 LYJVRBNHSBJALN-SANMLTNESA-N 147150 US8957083, 9 Beta-secretase 1 Homo sapiens 0.9 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819652 252108076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284485 COc1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)-c1ccc(C)cc1 InChI=1S/C24H20FN3O3/c1-13-4-6-14(7-5-13)15-10-18-21(19(25)11-15)31-20-9-8-16(30-3)12-17(20)24(18)22(29)28(2)23(26)27-24/h4-12H,1-3H3,(H2,26,27)/t24-/m0/s1 XPSVCWWCFKBVGW-DEOSSOPVSA-N 147152 US8957083, 29 Beta-secretase 1 Homo sapiens 13.6 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617836 252108078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284486 CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/m0/s1 LFHRVTJUXIOETI-LJAQVGFWSA-N 147154 US8957083, 30::US8957083, 32 Beta-secretase 1 Homo sapiens 0.9 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617122 252108080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284487 CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/m1/s1 LFHRVTJUXIOETI-GDLZYMKVSA-N 147155 US8957083, 31 Beta-secretase 1 Homo sapiens 179 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67609136 252108081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284488 CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/m0/s1 LFHRVTJUXIOETI-LJAQVGFWSA-N 147154 US8957083, 30::US8957083, 32 Beta-secretase 1 Homo sapiens 0.5 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617122 252108080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284489 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/m1/s1 HTKSVVHBDHDWCE-GDLZYMKVSA-N 147158 US8957083, 33::US8957083, 36 Beta-secretase 1 Homo sapiens 4.1 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617094 252108082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284490 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccc(Cl)c1 InChI=1S/C27H21ClFN3O3/c1-32-25(33)27(31-26(32)30)20-12-17(16-3-2-4-19(28)11-16)5-6-23(20)35-24-21(27)13-18(14-22(24)29)15-7-9-34-10-8-15/h2-7,11-14H,8-10H2,1H3,(H2,30,31)/t27-/m0/s1 KEMWQNNZCODMGI-MHZLTWQESA-N 147160 US8957083, 34 Beta-secretase 1 Homo sapiens 0.3 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819654 252108084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284491 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccc(Cl)c1 InChI=1S/C27H21ClFN3O3/c1-32-25(33)27(31-26(32)30)20-12-17(16-3-2-4-19(28)11-16)5-6-23(20)35-24-21(27)13-18(14-22(24)29)15-7-9-34-10-8-15/h2-7,11-14H,8-10H2,1H3,(H2,30,31)/t27-/m1/s1 KEMWQNNZCODMGI-HHHXNRCGSA-N 147161 US8957083, 35 Beta-secretase 1 Homo sapiens 24.3 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819655 252108085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284492 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/m1/s1 HTKSVVHBDHDWCE-GDLZYMKVSA-N 147158 US8957083, 33::US8957083, 36 Beta-secretase 1 Homo sapiens 225 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617094 252108082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284493 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/m0/s1 HTKSVVHBDHDWCE-LJAQVGFWSA-N 147159 US8957083, 37 Beta-secretase 1 Homo sapiens 2.9 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67616318 252108083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284494 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H16F3N5O2/c1-34-24(35)26(33-25(34)30)17-9-14(16-3-2-7-32-23(16)29)4-5-20(17)36-22-18(26)10-15(11-19(22)27)13-6-8-31-21(28)12-13/h2-12H,1H3,(H2,30,33)/t26-/m1/s1 JCWKMXKBFBTZOR-AREMUKBSSA-N 147164 US8957083, 38 Beta-secretase 1 Homo sapiens 169 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819656 252108086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284495 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H16F3N5O2/c1-34-24(35)26(33-25(34)30)17-9-14(16-3-2-7-32-23(16)29)4-5-20(17)36-22-18(26)10-15(11-19(22)27)13-6-8-31-21(28)12-13/h2-12H,1H3,(H2,30,33)/t26-/m0/s1 JCWKMXKBFBTZOR-SANMLTNESA-N 147165 US8957083, 39 Beta-secretase 1 Homo sapiens 0.2 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819657 252108087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284496 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C26H22FN5O3/c1-32-23(33)13-26(31-25(32)28)18-11-16(17-3-2-8-29-24(17)27)4-5-21(18)35-22-14-30-20(12-19(22)26)15-6-9-34-10-7-15/h2-6,8,11-12,14H,7,9-10,13H2,1H3,(H2,28,31)/t26-/m0/s1 FBDDEHMESDDCAC-SANMLTNESA-N 147168 US8957083, 22 Beta-secretase 1 Homo sapiens 9.3 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891502 252108090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284497 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C26H22FN5O3/c1-32-23(33)12-26(31-25(32)28)18-10-15(17-5-2-8-29-24(17)27)6-7-21(18)35-22-13-30-20(11-19(22)26)16-4-3-9-34-14-16/h2,4-8,10-11,13H,3,9,12,14H2,1H3,(H2,28,31)/t26-/m0/s1 OERHKDMQZYJUOB-SANMLTNESA-N 147169 US8957083, 24 Beta-secretase 1 Homo sapiens 12.1 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617277 252108091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284498 CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C26H22FN5O3/c1-32-23(33)13-26(31-25(32)28)18-11-16(17-3-2-8-29-24(17)27)4-5-21(18)35-22-14-30-20(12-19(22)26)15-6-9-34-10-7-15/h2-6,8,11-12,14H,7,9-10,13H2,1H3,(H2,28,31)/t26-/m1/s1 FBDDEHMESDDCAC-AREMUKBSSA-N 147170 US8957083, 23 Beta-secretase 1 Homo sapiens 1750 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891501 252108092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284499 CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C26H22FN5O3/c1-32-23(33)12-26(31-25(32)28)18-10-15(17-5-2-8-29-24(17)27)6-7-21(18)35-22-13-30-20(11-19(22)26)16-4-3-9-34-14-16/h2,4-8,10-11,13H,3,9,12,14H2,1H3,(H2,28,31)/t26-/m1/s1 OERHKDMQZYJUOB-AREMUKBSSA-N 147171 US8957083, 25 Beta-secretase 1 Homo sapiens 2430 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891499 252108093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284500 CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H18F2N6O2/c1-34-23(35)12-26(33-25(34)29)17-9-14(16-3-2-7-31-24(16)28)4-5-20(17)36-21-13-32-19(11-18(21)26)15-6-8-30-22(27)10-15/h2-11,13H,12H2,1H3,(H2,29,33)/t26-/m1/s1 VHTKTKZPDQNTQN-AREMUKBSSA-N 147172 US8957083, 21- A Beta-secretase 1 Homo sapiens 437 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891464 252108094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284501 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H18F2N6O2/c1-34-23(35)12-26(33-25(34)29)17-9-14(16-3-2-7-31-24(16)28)4-5-20(17)36-21-13-32-19(11-18(21)26)15-6-8-30-22(27)10-15/h2-11,13H,12H2,1H3,(H2,29,33)/t26-/m0/s1 VHTKTKZPDQNTQN-SANMLTNESA-N 147173 US8957083, 21- B Beta-secretase 1 Homo sapiens 12.2 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891463 252108095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284502 CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H17F3N6O2/c1-35-21(36)12-26(34-25(35)30)16-9-13(15-3-2-7-32-23(15)28)4-5-19(16)37-22-17(26)11-18(33-24(22)29)14-6-8-31-20(27)10-14/h2-11H,12H2,1H3,(H2,30,34) OOXSJDJYRJXFDJ-UHFFFAOYSA-N 147174 US8957083, 18 Beta-secretase 1 Homo sapiens 2.4 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617376 252108096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284503 CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C26H21F2N5O3/c1-33-21(34)12-26(32-25(33)29)17-10-14(16-5-2-8-30-23(16)27)6-7-20(17)36-22-18(26)11-19(31-24(22)28)15-4-3-9-35-13-15/h2,4-8,10-11H,3,9,12-13H2,1H3,(H2,29,32) LICJLEMMLWALOW-UHFFFAOYSA-N 147175 US8957083, 16 Beta-secretase 1 Homo sapiens 1.4 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67615839 252108097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284504 CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(Cl)cc21)-c1cccnc1F InChI=1S/C21H14ClF2N5O2/c1-29-16(30)9-21(28-20(29)25)12-7-10(11-3-2-6-26-18(11)23)4-5-14(12)31-17-13(21)8-15(22)27-19(17)24/h2-8H,9H2,1H3,(H2,25,28)/t21-/m1/s1 DEPCYHWMXVFRSU-OAQYLSRUSA-N 147176 US8957083, 14 Beta-secretase 1 Homo sapiens 8210 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86705789 252108098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284505 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(Cl)cc21)-c1cccnc1F InChI=1S/C21H14ClF2N5O2/c1-29-16(30)9-21(28-20(29)25)12-7-10(11-3-2-6-26-18(11)23)4-5-14(12)31-17-13(21)8-15(22)27-19(17)24/h2-8H,9H2,1H3,(H2,25,28)/t21-/m0/s1 DEPCYHWMXVFRSU-NRFANRHFSA-N 147177 US8957083, 15 Beta-secretase 1 Homo sapiens 33.2 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86705791 252108099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284506 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H17F3N6O2/c1-35-21(36)12-26(34-25(35)30)16-9-13(15-3-2-7-32-23(15)28)4-5-19(16)37-22-17(26)11-18(33-24(22)29)14-6-8-31-20(27)10-14/h2-11H,12H2,1H3,(H2,30,34)/t26-/m0/s1 OOXSJDJYRJXFDJ-SANMLTNESA-N 147178 US8957083, 19 Beta-secretase 1 Homo sapiens 1.4 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67615704 252108100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284507 CN1C(=N)NC2(CC1=O)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1F)-c1cccnc1F InChI=1S/C26H18F2N6O2/c1-34-22(35)12-26(33-25(34)29)17-10-14(15-4-2-8-30-23(15)27)6-7-20(17)36-21-13-32-19(11-18(21)26)16-5-3-9-31-24(16)28/h2-11,13H,12H2,1H3,(H2,29,33) IXOOHWPMALLLJD-UHFFFAOYSA-N 147179 US8957083, 21 Beta-secretase 1 Homo sapiens 48.3 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891503 252108101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284508 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C26H21F2N5O3/c1-33-21(34)12-26(32-25(33)29)17-10-14(16-5-2-8-30-23(16)27)6-7-20(17)36-22-18(26)11-19(31-24(22)28)15-4-3-9-35-13-15/h2,4-8,10-11H,3,9,12-13H2,1H3,(H2,29,32)/t26-/m0/s1 LICJLEMMLWALOW-SANMLTNESA-N 147182 US8957083, 17 Beta-secretase 1 Homo sapiens 2.8 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67616535 252108104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284509 CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F InChI=1S/C26H17F3N6O2/c1-35-20(36)12-26(34-25(35)30)16-10-13(14-4-2-8-31-22(14)27)6-7-19(16)37-21-17(26)11-18(33-24(21)29)15-5-3-9-32-23(15)28/h2-11H,12H2,1H3,(H2,30,34) UZEMHAMSUAYREA-UHFFFAOYSA-N 147183 US8957083, 13 Beta-secretase 1 Homo sapiens 22.8 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891504 252108105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284510 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CC(C)(C)OCC1)-c1cccnc1F InChI=1S/C28H25F2N5O3/c1-27(2)13-16(8-10-37-27)20-12-19-23(25(30)33-20)38-21-7-6-15(17-5-4-9-32-24(17)29)11-18(21)28(19)14-22(36)35(3)26(31)34-28/h4-7,9,11-13H,8,10,14H2,1-3H3,(H2,31,34)/t28-/m0/s1 KBEYOWOIEWSHOJ-NDEPHWFRSA-N 147184 US8957083, 26 Beta-secretase 1 Homo sapiens 0.6 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67615971 252108106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284511 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOC(C)(C)C1)-c1cccnc1F InChI=1S/C28H25F2N5O3/c1-27(2)13-16(8-10-37-27)20-12-19-23(25(30)33-20)38-21-7-6-15(17-5-4-9-32-24(17)29)11-18(21)28(19)14-22(36)35(3)26(31)34-28/h4-9,11-12H,10,13-14H2,1-3H3,(H2,31,34)/t28-/m0/s1 BLYFFBGBWQNOHK-NDEPHWFRSA-N 147185 US8957083, 27 Beta-secretase 1 Homo sapiens 0.7 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67617184 252108107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284512 CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOC(C)(C)C1)-c1cccnc1F InChI=1S/C28H27F2N5O3/c1-27(2)13-16(8-10-37-27)20-12-19-23(25(30)33-20)38-21-7-6-15(17-5-4-9-32-24(17)29)11-18(21)28(19)14-22(36)35(3)26(31)34-28/h4-7,9,11-12,16H,8,10,13-14H2,1-3H3,(H2,31,34)/t16?,28-/m0/s1 BMQGFQMPZPIYKV-HJLWYHJMSA-N 147186 US8957083, 28 Beta-secretase 1 Homo sapiens 2 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67616295 252108108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 284513 COc1ccc2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C23H18ClN5O4/c1-29-21(31)23(28-22(29)25)15-9-13(27-20(30)17-6-3-12(24)11-26-17)4-7-18(15)33-19-8-5-14(32-2)10-16(19)23/h3-11H,1-2H3,(H2,25,28)(H,27,30) VSHXKBCSQWPQQM-UHFFFAOYSA-N 147187 US8957083, 40 Beta-secretase 1 Homo sapiens 6.7 4.2 US Patent 10.7270/Q25Q4TS5 aid1800927 US8957083 Minatti, AE; Epstein, O; White, R; Weiss, M; Zhong, W; Low, JD Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=147187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67891522 252108109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286497 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1 ITDPHYUDGLCWQU-VAHXTSCQSA-N 148173 US8962616, 1 Beta-secretase 1 Homo sapiens 511 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547065 252109061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286498 Cn1ccc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H18F2N4OS/c1-23-5-4-14(22-23)15-6-10-8-25-16(20)21-17(10,9-24-15)12-3-2-11(18)7-13(12)19/h2-5,7,10,15H,6,8-9H2,1H3,(H2,20,21)/t10-,15+,17-/m0/s1 KCRIWCAXODSLRH-FGDXXIHYSA-N 148174 US8962616, 2 Beta-secretase 1 Homo sapiens 183 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547318 252109062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286499 Cn1cccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H19F2N3OS/c1-23-6-2-3-15(23)16-7-11-9-25-17(21)22-18(11,10-24-16)13-5-4-12(19)8-14(13)20/h2-6,8,11,16H,7,9-10H2,1H3,(H2,21,22)/t11-,16+,18-/m0/s1 VPDWGCDHACDQAX-LSKLOWJMSA-N 148175 US8962616, 3 Beta-secretase 1 Homo sapiens 7780 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89889322 252109063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286500 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1 OAFBAMRSEZLVDJ-CKMNQQOVSA-N 148176 US8962616, 22::US8962616, 4 Beta-secretase 1 Homo sapiens 84 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547070 252109064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286501 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ncc(C)o1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-7-22-16(25-9)15-6-13-10(2)26-17(21)23-18(13,8-24-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1 MUANLMPXGYYLAD-CKMNQQOVSA-N 148177 US8962616, 5 Beta-secretase 1 Homo sapiens 473 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819727 252109065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286502 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ncco1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-12-7-14(15-21-4-5-23-15)24-8-17(12,22-16(20)25-9)11-3-2-10(18)6-13(11)19/h2-6,9,12,14H,7-8H2,1H3,(H2,20,22)/t9-,12+,14-,17-/m1/s1 UVLZAXVMVHTAGW-XMEITWMYSA-N 148178 US8962616, 6 Beta-secretase 1 Homo sapiens 198 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547068 252109066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286503 CC1N=CC(=N1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H18F2N4OS/c1-9-21-6-14(22-9)15-4-10-7-25-16(20)23-17(10,8-24-15)12-3-2-11(18)5-13(12)19/h2-3,5-6,9-10,15H,4,7-8H2,1H3,(H2,20,23)/t9?,10?,15-,17+/m1/s1 SGHCLOBTFNZTBO-HYSQSQNJSA-N 148179 US8962616, 7 Beta-secretase 1 Homo sapiens 55 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819728 252109067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286504 Cc1csc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3OS2/c1-9-6-24-15(21-9)14-4-10-7-25-16(20)22-17(10,8-23-14)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,14H,4,7-8H2,1H3,(H2,20,22)/t10?,14-,17+/m1/s1 CTLGKGNBFWVQKZ-WETSXSAHSA-N 148180 US8962616, 8 Beta-secretase 1 Homo sapiens 260 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819729 252109068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286505 Cc1nccc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4OS/c1-10-22-5-4-15(23-10)16-6-11-8-26-17(21)24-18(11,9-25-16)13-3-2-12(19)7-14(13)20/h2-5,7,11,16H,6,8-9H2,1H3,(H2,21,24)/t11?,16-,18+/m1/s1 NCFZOHVZLVQZGK-APTIMPFDSA-N 148181 US8962616, 9 Beta-secretase 1 Homo sapiens 583 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819730 252109069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286506 Cc1nc(co1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-21-14(6-23-9)15-4-10-7-25-16(20)22-17(10,8-24-15)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,15H,4,7-8H2,1H3,(H2,20,22)/t10?,15-,17+/m1/s1 XXLOHULFDLSOBC-KTITXKAJSA-N 148182 US8962616, 11 Beta-secretase 1 Homo sapiens 316 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819731 252109070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286507 Cc1ccnc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4OS/c1-10-4-5-22-16(23-10)15-6-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)7-14(13)20/h2-5,7,11,15H,6,8-9H2,1H3,(H2,21,24)/t11?,15-,18+/m1/s1 LWHGNBWGPDYQSC-HLSDDEKHSA-N 148183 US8962616, 12 Beta-secretase 1 Homo sapiens 1470 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819732 252109071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286508 Cc1noc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H16F2N4O2S/c1-8-20-14(24-22-8)13-4-9-6-25-15(19)21-16(9,7-23-13)11-3-2-10(17)5-12(11)18/h2-3,5,9,13H,4,6-7H2,1H3,(H2,19,21)/t9?,13-,16+/m1/s1 OCCFWRRDRBBZBE-ZQQVQGEJSA-N 148185 US8962616, 13 Beta-secretase 1 Homo sapiens 439 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819734 252109073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286509 NC1=N[C@]2(CO[C@H](CC2CS1)c1nnco1)c1ccc(F)cc1F InChI=1S/C15H14F2N4O2S/c16-9-1-2-10(11(17)4-9)15-6-22-12(13-21-19-7-23-13)3-8(15)5-24-14(18)20-15/h1-2,4,7-8,12H,3,5-6H2,(H2,18,20)/t8?,12-,15+/m1/s1 VBXCGICXNVLUFX-HHWPCOLFSA-N 148184 US8962616, 14 Beta-secretase 1 Homo sapiens 2210 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819733 252109072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286510 Cc1nc(oc1C)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-10(2)25-16(22-9)15-5-11-7-26-17(21)23-18(11,8-24-15)13-4-3-12(19)6-14(13)20/h3-4,6,11,15H,5,7-8H2,1-2H3,(H2,21,23)/t11?,15-,18+/m1/s1 ONVXCGHYMYSNTM-HLSDDEKHSA-N 148186 US8962616, 15 Beta-secretase 1 Homo sapiens 112 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819735 252109074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286511 Cc1cc(on1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10?,14-,17+/m1/s1 APXCHRRPLFZFMP-WETSXSAHSA-N 50012648 CHEMBL3261057 Beta-secretase 1 Homo sapiens 59 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656187 103924901 CHEMBL3261057 ZINC29464389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286512 Cc1nnc(o1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H16F2N4O2S/c1-8-21-22-14(24-8)13-4-9-6-25-15(19)20-16(9,7-23-13)11-3-2-10(17)5-12(11)18/h2-3,5,9,13H,4,6-7H2,1H3,(H2,19,20)/t9?,13-,16+/m1/s1 GPDCFLSYOJXISU-ZQQVQGEJSA-N 148172 US8962616, 17 Beta-secretase 1 Homo sapiens 301 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91819726 252109060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286513 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccncn1)c1ccc(F)cc1F InChI=1S/C17H16F2N4OS/c18-11-1-2-12(13(19)6-11)17-8-24-15(14-3-4-21-9-22-14)5-10(17)7-25-16(20)23-17/h1-4,6,9-10,15H,5,7-8H2,(H2,20,23)/t10-,15+,17-/m0/s1 RIDGBZAEKGYTQD-FGDXXIHYSA-N 148187 US8962616, 18 Beta-secretase 1 Homo sapiens 390 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547574 252109075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286514 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccn(n1)C1CC1)c1ccc(F)cc1F InChI=1S/C19H20F2N4OS/c20-12-1-4-14(15(21)8-12)19-10-26-17(7-11(19)9-27-18(22)23-19)16-5-6-25(24-16)13-2-3-13/h1,4-6,8,11,13,17H,2-3,7,9-10H2,(H2,22,23)/t11-,17+,19-/m0/s1 MWNPEMNPLJPNHT-JVMOKEISSA-N 148188 US8962616, 19 Beta-secretase 1 Homo sapiens 444 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547571 252109076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286515 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc(co1)C(F)(F)F)c1ccc(F)cc1F InChI=1S/C17H14F5N3O2S/c18-9-1-2-10(11(19)4-9)16-7-27-12(3-8(16)6-28-15(23)25-16)14-24-13(5-26-14)17(20,21)22/h1-2,4-5,8,12H,3,6-7H2,(H2,23,25)/t8-,12+,16-/m0/s1 UBFYFJQJWNNVJD-XLIXJNEVSA-N 148189 US8962616, 20 Beta-secretase 1 Homo sapiens 467 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547069 252109077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286516 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncccn1)c1ccc(F)cc1F InChI=1S/C17H16F2N4OS/c18-11-2-3-12(13(19)7-11)17-9-24-14(15-21-4-1-5-22-15)6-10(17)8-25-16(20)23-17/h1-5,7,10,14H,6,8-9H2,(H2,20,23)/t10-,14+,17-/m0/s1 ZMAAQEPRGLNYHJ-IXBGWNDUSA-N 148190 US8962616, 21 Beta-secretase 1 Homo sapiens 983 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547575 252109078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286517 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1 OAFBAMRSEZLVDJ-CKMNQQOVSA-N 148176 US8962616, 22::US8962616, 4 Beta-secretase 1 Homo sapiens 89 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547070 252109064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286518 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncc(F)cn1)c1ccc(F)cc1F InChI=1S/C17H15F3N4OS/c18-10-1-2-12(13(20)4-10)17-8-25-14(15-22-5-11(19)6-23-15)3-9(17)7-26-16(21)24-17/h1-2,4-6,9,14H,3,7-8H2,(H2,21,24)/t9-,14+,17-/m0/s1 ALCLTLZWLVVXCX-YCELRVBUSA-N 148192 US8962616, 23 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72543979 252109079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 286519 Cc1cnc(nc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F2N4OS/c1-10-6-22-16(23-7-10)15-4-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)5-14(13)20/h2-3,5-7,11,15H,4,8-9H2,1H3,(H2,21,24)/t11-,15+,18-/m0/s1 SPUPFMFFTCRYOB-POHZPAGDSA-N 148193 US8962616, 24 Beta-secretase 1 Homo sapiens 688 US Patent 10.7270/Q20Z7216 aid1800937 US8962616 Brodney, MA; Butler, CR; Beck, EM; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72543978 252109080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288517 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)C1=CCCCC1 InChI=1S/C22H26N2O3/c23-19-24-22(14-26-19)17-11-16(15-5-2-1-3-6-15)7-8-18(17)27-21(9-4-10-21)20(22)12-25-13-20/h5,7-8,11H,1-4,6,9-10,12-14H2,(H2,23,24) GTVHCOSZWNNPFK-UHFFFAOYSA-N 149854 US8975415, RP135::US9242973, RP135 Beta-secretase 1 Homo sapiens 3270 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056485 252159382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288518 COc1ccc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23FN2O4/c1-27-15-4-5-18(24)16(10-15)14-3-6-19-17(9-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-19)7-2-8-22/h3-6,9-10H,2,7-8,11-13H2,1H3,(H2,25,26) DCFHBMJLBSTLIB-UHFFFAOYSA-N 149855 US8975415, RP136::US9242973, RP136 Beta-secretase 1 Homo sapiens 635 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025640 252159383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288519 COc1cccc(c1F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23FN2O4/c1-27-18-5-2-4-15(19(18)24)14-6-7-17-16(10-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-17)8-3-9-22/h2,4-7,10H,3,8-9,11-13H2,1H3,(H2,25,26) YWEZIZZHYAWWDG-UHFFFAOYSA-N 149856 US8975415, RP137::US9242973, RP137 Beta-secretase 1 Homo sapiens 773 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056475 252159384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288520 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1F InChI=1S/C22H20F2N2O3/c23-16-4-1-3-14(18(16)24)13-5-6-17-15(9-13)22(12-28-19(25)26-22)20(10-27-11-20)21(29-17)7-2-8-21/h1,3-6,9H,2,7-8,10-12H2,(H2,25,26) QSPCHUPRAPAASU-UHFFFAOYSA-N 149857 US8975415, RP138::US9242973, RP138 Beta-secretase 1 Homo sapiens 1670 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056486 252159385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288521 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(Cl)c1 InChI=1S/C21H21ClN2O3/c1-19(2)20(10-25-11-20)21(12-26-18(23)24-21)16-9-14(6-7-17(16)27-19)13-4-3-5-15(22)8-13/h3-9H,10-12H2,1-2H3,(H2,23,24) ZEAMOJNDSBWBMU-UHFFFAOYSA-N 149858 US8975415, RP139::US9242973, RP139 Beta-secretase 1 Homo sapiens 215 252 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056476 252159386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288522 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1 InChI=1S/C24H26N2O3/c1-22(2)23(12-27-13-23)24(14-28-21(25)26-24)19-11-18(8-9-20(19)29-22)17-5-3-4-16(10-17)15-6-7-15/h3-5,8-11,15H,6-7,12-14H2,1-2H3,(H2,25,26) UKEAETWEXZCSQW-UHFFFAOYSA-N 149859 US8975415, RP140::US9242973, RP140 Beta-secretase 1 Homo sapiens 389 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056491 252159387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288523 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C(F)(F)F InChI=1S/C22H21F3N2O3/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)30-19)13-4-3-5-15(8-13)22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) LRUHIAIIFSMMGU-UHFFFAOYSA-N 149860 US8975415, RP141::US9242973, RP141 Beta-secretase 1 Homo sapiens 903 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056456 252159388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288524 COc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H24N2O4/c1-20(2)21(11-26-12-21)22(13-27-19(23)24-22)17-10-15(7-8-18(17)28-20)14-5-4-6-16(9-14)25-3/h4-10H,11-13H2,1-3H3,(H2,23,24) NTYCQRSCQKAIKY-UHFFFAOYSA-N 149861 US8975415, RP142::US9242973, RP142 Beta-secretase 1 Homo sapiens 401 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246736 252159389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288525 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OCC(F)(F)F)c1 InChI=1S/C23H23F3N2O4/c1-20(2)21(10-29-11-21)22(12-31-19(27)28-22)17-9-15(6-7-18(17)32-20)14-4-3-5-16(8-14)30-13-23(24,25)26/h3-9H,10-13H2,1-2H3,(H2,27,28) UTEFABOYSUEMPY-UHFFFAOYSA-N 149862 US8975415, RP143::US9242973, RP143 Beta-secretase 1 Homo sapiens 1260 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056477 252159390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288526 CCOc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H26N2O4/c1-4-27-17-7-5-6-15(10-17)16-8-9-19-18(11-16)23(14-28-20(24)25-23)22(12-26-13-22)21(2,3)29-19/h5-11H,4,12-14H2,1-3H3,(H2,24,25) NKMRFFYBJGWRSX-UHFFFAOYSA-N 149863 US8975415, RP144::US9242973, RP144 Beta-secretase 1 Homo sapiens 879 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056465 252159391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288527 CCSc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H26N2O3S/c1-4-29-17-7-5-6-15(10-17)16-8-9-19-18(11-16)23(14-27-20(24)25-23)22(12-26-13-22)21(2,3)28-19/h5-11H,4,12-14H2,1-3H3,(H2,24,25) HCCGPLVNNLOSEH-UHFFFAOYSA-N 149864 US8975415, RP145::US9242973, RP145 Beta-secretase 1 Homo sapiens 933 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246738 252159392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288528 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25) VELBUBIDIGYSLN-UHFFFAOYSA-N 149865 US8975415, RP146::US9242973, RP146 Beta-secretase 1 Homo sapiens 188 226 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724313 252159393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288529 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(F)c1 InChI=1S/C21H20F2N2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25) GXWZNDMKCKULNS-UHFFFAOYSA-N 149866 US8975415, RP147::US9242973, RP147 Beta-secretase 1 Homo sapiens 621 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056466 252159394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288530 Cc1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23FN2O3/c1-13-6-15(8-16(23)7-13)14-4-5-18-17(9-14)22(12-27-19(24)25-22)21(10-26-11-21)20(2,3)28-18/h4-9H,10-12H2,1-3H3,(H2,24,25) MHGCEQNGZDTCOC-UHFFFAOYSA-N 149867 US8975415, RP148::US9242973, RP148 Beta-secretase 1 Homo sapiens 614 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056487 252159395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288531 Cc1cnc(Cl)c(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O3/c1-12-6-14(17(22)24-8-12)13-4-5-16-15(7-13)21(11-27-18(23)25-21)20(9-26-10-20)19(2,3)28-16/h4-8H,9-11H2,1-3H3,(H2,23,25) IEPVAYLEYUWVFH-UHFFFAOYSA-N 149870 US8975415, RP151::US9242973, RP151 Beta-secretase 1 Homo sapiens 1360 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246739 252159398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288532 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1Cl InChI=1S/C20H19Cl2N3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25) HCRMCIFUVDVQDP-UHFFFAOYSA-N 149871 US8975415, RP152::US9242973, RP152 Beta-secretase 1 Homo sapiens 688 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246740 252159399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288533 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cnc1Cl InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(22)7-24-16(13)21/h3-7H,8-10H2,1-2H3,(H2,23,25) NXVWQPVBYKAMTH-UHFFFAOYSA-N 149872 US8975415, RP153::US9242973, RP153 Beta-secretase 1 Homo sapiens 1130 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246741 252159400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288534 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1Cl InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24) JMVWCLLKZHGJJD-UHFFFAOYSA-N 149875 US8975415, RP156::US9242973, RP156 Beta-secretase 1 Homo sapiens 2610 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246742 252159403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288535 Cc1cc(cnc1F)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22FN3O3/c1-12-6-14(8-24-17(12)22)13-4-5-16-15(7-13)21(11-27-18(23)25-21)20(9-26-10-20)19(2,3)28-16/h4-8H,9-11H2,1-3H3,(H2,23,25) GHRVXMFUXOXBGC-UHFFFAOYSA-N 149876 US8975415, RP157::US9242973, RP157 Beta-secretase 1 Homo sapiens 2800 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246743 252159404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288536 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ncc1Cl InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)13-5-11(3-4-15(13)28-18)12-6-16(22)24-7-14(12)21/h3-7H,8-10H2,1-2H3,(H2,23,25) OGBRXVOOYQIKKV-UHFFFAOYSA-N 149877 US8975415, RP158::US9242973, RP158 Beta-secretase 1 Homo sapiens 930 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054974 252159405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288537 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccnc(Cl)c1Cl InChI=1S/C20H19Cl2N3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)13-7-11(3-4-14(13)28-18)12-5-6-24-16(22)15(12)21/h3-7H,8-10H2,1-2H3,(H2,23,25) SEAPOZKSVDOWPZ-UHFFFAOYSA-N 149878 US8975415, RP159::US9242973, RP159 Beta-secretase 1 Homo sapiens 2120 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054965 252159406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288538 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#N InChI=1S/C21H20N4O3/c1-19(2)20(10-26-11-20)21(12-27-18(23)25-21)16-6-14(3-4-17(16)28-19)15-5-13(7-22)8-24-9-15/h3-6,8-9H,10-12H2,1-2H3,(H2,23,25) LXZVBTDOKAHNDX-UHFFFAOYSA-N 149879 US8975415, RP160::US9242973, RP160 Beta-secretase 1 Homo sapiens 981 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246744 252159407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288539 COc1cc(c(F)cn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22FN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)14-6-12(4-5-16(14)29-19)13-7-17(26-3)24-8-15(13)22/h4-8H,9-11H2,1-3H3,(H2,23,25) FAPBBHHBSSJFBQ-UHFFFAOYSA-N 149880 US8975415, RP161::US9242973, RP161 Beta-secretase 1 Homo sapiens 1410 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246745 252159408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288540 COc1cc(c(Cl)cn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)14-6-12(4-5-16(14)29-19)13-7-17(26-3)24-8-15(13)22/h4-8H,9-11H2,1-3H3,(H2,23,25) AHFYJIKDCBGBJZ-UHFFFAOYSA-N 149881 US8975415, RP162::US9242973, RP162 Beta-secretase 1 Homo sapiens 1040 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054966 252159409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288541 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)C1=CCCCCC1 InChI=1S/C22H28N2O3/c1-20(2)21(12-25-13-21)22(14-26-19(23)24-22)17-11-16(9-10-18(17)27-20)15-7-5-3-4-6-8-15/h7,9-11H,3-6,8,12-14H2,1-2H3,(H2,23,24) YNAMZKYOBIDWHW-UHFFFAOYSA-N 149884 US8975415, RP165::US9242973, RP165 Beta-secretase 1 Homo sapiens 760 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054975 252159412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288542 CC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H28N2O3/c1-14-4-6-15(7-5-14)16-8-9-18-17(10-16)22(13-26-19(23)24-22)21(11-25-12-21)20(2,3)27-18/h6,8-10,14H,4-5,7,11-13H2,1-3H3,(H2,23,24) PQKQEKLALZXTJD-UHFFFAOYSA-N 149885 US8975415, RP166::US9242973, RP166 Beta-secretase 1 Homo sapiens 3630 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054970 252159413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288543 CCC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H26N2O3/c1-4-5-6-7-14-8-9-16-15(10-14)20(13-24-17(21)22-20)19(11-23-12-19)18(2,3)25-16/h6-10H,4-5,11-13H2,1-3H3,(H2,21,22)/b7-6+ DKGSWKREOJWJTP-VOTSOKGWSA-N 149886 US8975415, RP167::US9242973, RP167 Beta-secretase 1 Homo sapiens 869 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054971 252159414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288544 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(O)cc(F)c1 InChI=1S/C21H21FN2O4/c1-19(2)20(9-26-10-20)21(11-27-18(23)24-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(25)6-13/h3-8,25H,9-11H2,1-2H3,(H2,23,24) XLOPHQHRSBOSNE-UHFFFAOYSA-N 149888 US8975415, RP169::US9242973, RP169 Beta-secretase 1 Homo sapiens 1410 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054977 252159416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288545 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(ccc1F)C#N InChI=1S/C22H20FN3O3/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-8-14(4-6-18(16)29-20)15-7-13(9-24)3-5-17(15)23/h3-8H,10-12H2,1-2H3,(H2,25,26) GSTHBYLKRBWKOI-UHFFFAOYSA-N 149889 US8975415, RP170::US9242973, RP170 Beta-secretase 1 Homo sapiens 1000 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054972 252159417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288546 CNC(=O)c1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24FN3O4/c1-21(2)22(10-29-11-22)23(12-30-20(25)27-23)17-9-13(4-5-18(17)31-21)14-6-15(19(28)26-3)8-16(24)7-14/h4-9H,10-12H2,1-3H3,(H2,25,27)(H,26,28) UQPAONODJFHYMD-UHFFFAOYSA-N 149890 US8975415, RP171::US9242973, RP171 Beta-secretase 1 Homo sapiens 2240 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055976 252159418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288547 CCC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H30N2O3/c1-4-15-5-7-16(8-6-15)17-9-10-19-18(11-17)23(14-27-20(24)25-23)22(12-26-13-22)21(2,3)28-19/h7,9-11,15H,4-6,8,12-14H2,1-3H3,(H2,24,25) CTBXKHLRFQFYGO-UHFFFAOYSA-N 149891 US8975415, RP172::US9242973, RP172 Beta-secretase 1 Homo sapiens 2240 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246746 252159419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288548 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)15-6-12(3-4-16(15)27-18)13-5-14(21)8-23-7-13/h3-8H,9-11H2,1-2H3,(H2,22,24) SVHNMBSDZDNXOE-UHFFFAOYSA-N 149892 US8975415, RP173::US9242973, RP173 Beta-secretase 1 Homo sapiens 401 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055977 252159420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288549 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ccc2c1 149893 US8975415, RP174::US9242973, RP174 Beta-secretase 1 Homo sapiens 3350 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724314 252159421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288550 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cc[nH]c12 149894 US8975415, RP175::US9242973, RP175 Beta-secretase 1 Homo sapiens 3230 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056010 252159422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288551 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2nonc2c1 InChI=1S/C21H20N4O4/c1-19(2)20(9-26-10-20)21(11-27-18(22)23-21)14-7-12(4-6-17(14)28-19)13-3-5-15-16(8-13)25-29-24-15/h3-8H,9-11H2,1-2H3,(H2,22,23) PKUHVJVJHBYAMJ-UHFFFAOYSA-N 149897 US8975415, RP178::US9242973, RP178 Beta-secretase 1 Homo sapiens 1150 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055967 252159425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288552 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cccnc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)18-11-16(8-9-19(18)30-22)17-7-3-5-15-6-4-10-26-20(15)17/h3-11H,12-14H2,1-2H3,(H2,25,27) VJBWMBRNRXJSBA-UHFFFAOYSA-N 149898 US8975415, RP179::US9242973, RP179 Beta-secretase 1 Homo sapiens 3240 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056005 252159426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288553 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cnccc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)19-10-15(6-7-20(19)30-22)17-5-3-4-16-11-26-9-8-18(16)17/h3-11H,12-14H2,1-2H3,(H2,25,27) BKDQSRMNJPVQTC-UHFFFAOYSA-N 149899 US8975415, RP180::US9242973, RP180 Beta-secretase 1 Homo sapiens 2030 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246747 252159427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288554 COC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H24N2O4/c1-17(2)18(10-23-11-18)19(12-24-16(20)21-19)14-9-13(5-4-8-22-3)6-7-15(14)25-17/h4-7,9H,8,10-12H2,1-3H3,(H2,20,21)/b5-4+ INLZNNXNRQPRBS-SNAWJCMRSA-N 149900 US8975415, RP181::US9242973, RP181 Beta-secretase 1 Homo sapiens 2590 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246748 252159428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288555 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)31-19)13-4-3-5-15(8-13)30-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) QIAHDRDUKXPIPE-UHFFFAOYSA-N 149902 US8975415, RP183::US9242973, RP183 Beta-secretase 1 Homo sapiens 1080 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246749 252159430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288556 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccccc1OC(F)(F)F InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)15-9-13(7-8-17(15)30-19)14-5-3-4-6-16(14)31-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) DXUBDEWFIYBFBX-UHFFFAOYSA-N 149903 US8975415, RP184::US9242973, RP184 Beta-secretase 1 Homo sapiens 2820 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056337 252159431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288557 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1c(F)ccc(F)c1F InChI=1S/C21H19F3N2O3/c1-19(2)20(8-27-9-20)21(10-28-18(25)26-21)12-7-11(3-6-15(12)29-19)16-13(22)4-5-14(23)17(16)24/h3-7H,8-10H2,1-2H3,(H2,25,26) MDDVTIQXTKOMRK-UHFFFAOYSA-N 149904 US8975415, RP185::US9242973, RP185 Beta-secretase 1 Homo sapiens 2050 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056333 252159432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288558 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc(OC(F)F)cc1 InChI=1S/C22H22F2N2O4/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-9-14(5-8-17(16)30-20)13-3-6-15(7-4-13)29-18(23)24/h3-9,18H,10-12H2,1-2H3,(H2,25,26) DBMWNPACPWCFOJ-UHFFFAOYSA-N 149906 US8975415, RP187::US9242973, RP187 Beta-secretase 1 Homo sapiens 3160 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056335 252159434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288559 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 InChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(3-8)14(7-21-11(18)19-14)12(6-20-10)4-13(16,17)5-12/h1-3H,4-7H2,(H2,18,19) UWKRYKVCCZEOQP-UHFFFAOYSA-N 149907 US8975415, RP188::US9242973, RP188 Beta-secretase 1 Homo sapiens 50600 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056348 252159435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288560 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 InChI=1S/C18H16BrN5O3/c19-10-6-21-14(22-7-10)15(25)23-11-1-2-13-12(5-11)18(9-27-16(20)24-18)17(3-4-17)8-26-13/h1-2,5-7H,3-4,8-9H2,(H2,20,24)(H,23,25) RUPHOSKJXJYHAD-UHFFFAOYSA-N 149908 US8975415, RP189::US9242973, RP189 Beta-secretase 1 Homo sapiens 623 661 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056336 252159436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288561 CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C20H20BrN5O4/c1-18(2)19(8-28-9-19)20(10-29-17(22)26-20)13-5-12(3-4-14(13)30-18)25-16(27)15-23-6-11(21)7-24-15/h3-7H,8-10H2,1-2H3,(H2,22,26)(H,25,27) OKNLKKUCXCACGI-UHFFFAOYSA-N 149909 US8975415, RP190::US9242973, 190 Beta-secretase 1 Homo sapiens 83.5 125 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025105 252159437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288562 Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N InChI=1S/C21H19N5O3/c1-12-6-13(8-22)9-24-17(12)18(27)25-14-2-3-16-15(7-14)21(11-29-19(23)26-21)20(4-5-20)10-28-16/h2-3,6-7,9H,4-5,10-11H2,1H3,(H2,23,26)(H,25,27) LUKKVICWYPMUPG-UHFFFAOYSA-N 149910 US8975415, RP191::US9242973, RP191 Beta-secretase 1 Homo sapiens 215 248 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248978 252159438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288563 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1 InChI=1S/C20H16ClN5O3/c21-14-5-11(7-22)8-24-16(14)17(27)25-12-1-2-15-13(6-12)20(10-29-18(23)26-20)19(3-4-19)9-28-15/h1-2,5-6,8H,3-4,9-10H2,(H2,23,26)(H,25,27) OBYNGUKQVYJXLG-UHFFFAOYSA-N 149911 US8975415, RP192::US9242973, RP192 Beta-secretase 1 Homo sapiens 280 318 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248994 252159439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288564 COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25) IPNOFVHQRLOFQU-UHFFFAOYSA-N 149912 US8975415, RP193::US9242973, RP193 Beta-secretase 1 Homo sapiens 1040 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056104 252159440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288565 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H19ClN4O3/c1-11-6-12(21)8-23-16(11)17(26)24-13-2-3-15-14(7-13)20(10-28-18(22)25-20)19(4-5-19)9-27-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,22,25)(H,24,26) UGPKGDXAPPRVIR-UHFFFAOYSA-N 149913 US8975415, RP194::US9242973, RP194 Beta-secretase 1 Homo sapiens 313 349 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056343 252159441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288566 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23ClN4O4/c1-12-6-13(23)8-25-17(12)18(28)26-14-4-5-16-15(7-14)22(11-30-19(24)27-22)21(9-29-10-21)20(2,3)31-16/h4-8H,9-11H2,1-3H3,(H2,24,27)(H,26,28) WTTPTTMLIGTSRC-UHFFFAOYSA-N 149914 US8975415, RP195::US9242973, 195 Beta-secretase 1 Homo sapiens 64.5 109 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548944 252159442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288567 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1 InChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26) FCSDLAQZROWWFP-UHFFFAOYSA-N 149915 US8975415, RP196::US9242973, RP196 Beta-secretase 1 Homo sapiens 342 380 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248997 252159443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288568 CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)15-7-14(4-6-17(15)31-20)26-18(28)16-5-3-13(8-23)9-25-16/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28) GPWZMCGYHYETLO-UHFFFAOYSA-N 149916 US8975415, RP197::US9242973, 197 Beta-secretase 1 Homo sapiens 72 118 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548945 252159444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288569 NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CS1 InChI=1S/C18H16F2N4OS/c19-17(20)9-26-15(21)24-18(17)13-5-11(12-6-22-10-23-7-12)1-2-14(13)25-8-16(18)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,21,24) UMLIDFYGFDMIGZ-UHFFFAOYSA-N 149917 US8975415, RP198::US9242973, RP198 Beta-secretase 1 Homo sapiens 14900 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724315 252159445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288570 NC1=NC2(c3cccc(F)c13)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C22H17FN4O/c23-17-3-1-2-15-19(17)20(24)27-22(15)16-8-13(14-9-25-12-26-10-14)4-5-18(16)28-11-21(22)6-7-21/h1-5,8-10,12H,6-7,11H2,(H2,24,27) LEFCQXUNQUOKDG-UHFFFAOYSA-N 149918 US8975415, RP199::US9242973, RP199 Beta-secretase 1 Homo sapiens 736 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056126 252159446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288571 NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28) STMXAUVFLJMWDN-UHFFFAOYSA-N 149919 US8975415, RP200::US8975415, RP202::US9242973, RP202 Beta-secretase 1 Homo sapiens 92.1 128 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246750 252159447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288572 CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31) UZRCBYZWOAYXCE-UHFFFAOYSA-N 149920 US8975415, RP201::US8975415, RP203::US9242973, RP203 Beta-secretase 1 Homo sapiens 71.1 113 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056157 252159448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288573 NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28) STMXAUVFLJMWDN-UHFFFAOYSA-N 149919 US8975415, RP200::US8975415, RP202::US9242973, RP202 Beta-secretase 1 Homo sapiens 113 145 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246750 252159447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288574 CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31) UZRCBYZWOAYXCE-UHFFFAOYSA-N 149920 US8975415, RP201::US8975415, RP203::US9242973, RP203 Beta-secretase 1 Homo sapiens 67.6 109 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056157 252159448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288575 NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25) MSVXPEWIJQOLDG-UHFFFAOYSA-N 149923 US8975415, RP204::US8975415, RP207::US9242973, RP207 Beta-secretase 1 Homo sapiens 388 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246751 252159449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288576 CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C25H25N3O3/c1-2-3-17-8-19(12-27-11-17)18-6-7-21-20(10-18)25(15-30-23(26)28-25)24(13-29-14-24)22(31-21)9-16-4-5-16/h6-8,10-12,16,22H,4-5,9,13-15H2,1H3,(H2,26,28) KJZOKUPYIWIFKS-UHFFFAOYSA-N 149924 US8975415, RP205::US9242973, RP205 Beta-secretase 1 Homo sapiens 82.5 126 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056128 252159450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288577 NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CO1 InChI=1S/C18H16F2N4O2/c19-17(20)9-26-15(21)24-18(17)13-5-11(12-6-22-10-23-7-12)1-2-14(13)25-8-16(18)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,21,24) QZZCXMLMCPDROH-UHFFFAOYSA-N 149925 US8975415, RP206::US9242973, RP206 Beta-secretase 1 Homo sapiens 4910 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056130 252159451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288578 NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25) MSVXPEWIJQOLDG-UHFFFAOYSA-N 149923 US8975415, RP204::US8975415, RP207::US9242973, RP207 Beta-secretase 1 Homo sapiens 460 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246751 252159449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288579 NC1=NC2(CO1)c1cc(ccc1OCC21CC(F)(F)C1)-c1cncnc1 InChI=1S/C18H16F2N4O2/c19-17(20)6-16(7-17)8-25-14-2-1-11(12-4-22-10-23-5-12)3-13(14)18(16)9-26-15(21)24-18/h1-5,10H,6-9H2,(H2,21,24) IBQLKXDWVJSRDU-UHFFFAOYSA-N 149927 US8975415, RP208::US9242973, RP208 Beta-secretase 1 Homo sapiens 7760 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056127 252159452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288580 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1 InChI=1S/C21H21N3O3/c22-18-24-21(13-26-18)16-9-14(15-3-1-8-23-10-15)4-5-17(16)27-20(6-2-7-20)19(21)11-25-12-19/h1,3-5,8-10H,2,6-7,11-13H2,(H2,22,24) MJGALTWQDCBMQD-UHFFFAOYSA-N 149928 US8975415, RP209::US9242973, RP209 Beta-secretase 1 Homo sapiens 2000 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056129 252159453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288581 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C(F)(F)F InChI=1S/C22H20F3N3O3/c23-22(24,25)17-14(3-1-8-27-17)13-4-5-16-15(9-13)21(12-30-18(26)28-21)19(10-29-11-19)20(31-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,26,28) XPOQBFAIFSUYIN-UHFFFAOYSA-N 149931 US8975415, RP212::US9242973, RP212 Beta-secretase 1 Homo sapiens 17600 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056510 252159456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288582 NC1=NC2(COC1)c1cc(Br)ccc1OCC21CC1 InChI=1S/C14H15BrN2O2/c15-9-1-2-11-10(5-9)14(8-18-6-12(16)17-14)13(3-4-13)7-19-11/h1-2,5H,3-4,6-8H2,(H2,16,17) VDIQADCRFALOMC-UHFFFAOYSA-N 149933 US8975415, RP214::US9242973, RP214 Beta-secretase 1 Homo sapiens 40300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025002 252159458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288583 NC1=NC2(COC1)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C18H18N4O2/c19-16-8-23-10-18(22-16)14-5-12(13-6-20-11-21-7-13)1-2-15(14)24-9-17(18)3-4-17/h1-2,5-7,11H,3-4,8-10H2,(H2,19,22) AMQPJZMLPSZGED-UHFFFAOYSA-N 149934 US8975415, RP215::US9242973, RP215 Beta-secretase 1 Homo sapiens 1210 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025994 252159459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288584 NC1=NC2(c3cc(Br)ccc3OCC22CC2)C(F)(F)CO1 InChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(5-8)14(12(3-4-12)6-20-10)13(16,17)7-21-11(18)19-14/h1-2,5H,3-4,6-7H2,(H2,18,19) IZCQKTPKYGLDEA-UHFFFAOYSA-N 149935 US8975415, RP216::US9242973, RP216 Beta-secretase 1 Homo sapiens 55800 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90026141 252159460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288585 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 INWIVMOTHPFWNU-NRFANRHFSA-N 149936 US8975415, 218::US9242973, 218 Beta-secretase 1 Homo sapiens 10.3 44.7 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72202470 252159461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288586 CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 CWCLNAMDVBTHAU-NRFANRHFSA-N 149937 US8975415, 219::US9242973, 219 Beta-secretase 1 Homo sapiens 10.2 44.4 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90236720 252159462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288587 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1 WZWNQLAVZZUSHH-NRFANRHFSA-N 149938 US8975415, 220::US9242973, 220 Beta-secretase 1 Homo sapiens 42.9 76.5 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548948 252159463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288588 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21ClN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 SUARPGUFOBBSJS-NRFANRHFSA-N 149939 US8975415, 221::US9242973, 221 Beta-secretase 1 Homo sapiens 37.8 81.8 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056502 252159464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288589 CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 KFVQLLMGMYDUOM-NRFANRHFSA-N 149940 US8975415, 222::US9242973, 222 Beta-secretase 1 Homo sapiens 91.5 138 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056497 252159465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288516 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)c(c1)C#N InChI=1S/C23H20FN3O3/c24-18-4-2-14(8-16(18)10-25)15-3-5-19-17(9-15)23(13-29-20(26)27-23)21(11-28-12-21)22(30-19)6-1-7-22/h2-5,8-9H,1,6-7,11-13H2,(H2,26,27) MBTSGUSQJYKBNL-UHFFFAOYSA-N 149853 US8975415, RP134::US9242973, RP134 Beta-secretase 1 Homo sapiens 3630 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056484 252159381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288590 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O4/c1-19(2)20(6-7-20)21(11-29-18(22)26-21)13-8-12(4-5-15(13)30-19)25-17(27)14-9-24-16(28-3)10-23-14/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1 FVLGCKAZTKQUNT-NRFANRHFSA-N 149941 US8975415, 223::US9242973, 223 Beta-secretase 1 Homo sapiens 61.2 99.1 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724317 252159466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288591 CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1 UUOAKQJQRFDOFS-NRFANRHFSA-N 149942 US8975415, 224::US9242973, 224 Beta-secretase 1 Homo sapiens 52.7 91.4 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724318 252159467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288592 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27) WZWNQLAVZZUSHH-UHFFFAOYSA-N 149943 US8975415, 227::US9242973, 227 Beta-secretase 1 Homo sapiens 79.2 107 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724320 252159468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288593 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m1/s1 INWIVMOTHPFWNU-OAQYLSRUSA-N 149944 US8975415, 228a::US9242973, 228a Beta-secretase 1 Homo sapiens 30200 30300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548947 252159469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288594 CC#Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-16-8-15(6-7-23-16)14-4-5-18-17(9-14)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) ZANYLJKRBCWFFU-UHFFFAOYSA-N 149742 US8975415, RP20::US9242973, RP20 Beta-secretase 1 Homo sapiens 2710 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056192 252159279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288595 CC#Cc1cc(ncn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H18N4O3/c1-2-3-14-7-16(23-12-22-14)13-4-5-17-15(6-13)20(11-27-18(21)24-20)19(10-26-17)8-25-9-19/h4-7,12H,8-11H2,1H3,(H2,21,24) CLLYOVRVGPCBHE-UHFFFAOYSA-N 149743 US8975415, RP21::US9242973, RP21 Beta-secretase 1 Homo sapiens 1350 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056185 252159280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288596 CC#Cc1cncc(n1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H18N4O3/c1-2-3-14-7-22-8-16(23-14)13-4-5-17-15(6-13)20(12-27-18(21)24-20)19(11-26-17)9-25-10-19/h4-8H,9-12H2,1H3,(H2,21,24) CCUPTYVUDMDNRW-UHFFFAOYSA-N 149744 US8975415, RP22::US9242973, RP22 Beta-secretase 1 Homo sapiens 2600 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246705 252159281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288597 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)C1=CCOCC1 InChI=1S/C18H20N2O4/c19-16-20-18(11-24-16)14-7-13(12-3-5-21-6-4-12)1-2-15(14)23-10-17(18)8-22-9-17/h1-3,7H,4-6,8-11H2,(H2,19,20) URKSNHXMPKDXME-UHFFFAOYSA-N 149746 US8975415, RP24::US9242973, RP24 Beta-secretase 1 Homo sapiens 32900 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056188 252159283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288598 Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N3O3/c1-12-6-14(4-5-21-12)13-2-3-16-15(7-13)19(11-25-17(20)22-19)18(10-24-16)8-23-9-18/h2-7H,8-11H2,1H3,(H2,20,22) APHMMXANWQGNRL-UHFFFAOYSA-N 149759 US8975415, RP37::US9242973, RP37 Beta-secretase 1 Homo sapiens 55400 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056449 252159296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288599 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]cc(Cl)c2c1 149781 US8975415, RP62::US9242973, RP62 Beta-secretase 1 Homo sapiens 1330 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90249017 252159317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288600 COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)15-8-13(4-5-17(15)28-19)16-9-14(25-3)6-7-23-16/h4-9H,10-12H2,1-3H3,(H2,22,24) VODDOGVAQARPID-UHFFFAOYSA-N 149784 US8975415, RP65::US9242973, RP65 Beta-secretase 1 Homo sapiens 388 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724309 252159320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288601 Cc1cn2ccc(cc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H24N4O3/c1-15-11-28-8-5-17(10-20(28)26-15)16-3-4-19-18(9-16)24(14-30-21(25)27-24)22(12-29-13-22)23(31-19)6-2-7-23/h3-5,8-11H,2,6-7,12-14H2,1H3,(H2,25,27) YXGIXUOSNXEEFY-UHFFFAOYSA-N 149785 US8975415, RP66::US9242973, RP66 Beta-secretase 1 Homo sapiens 135000 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056473 252159321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288602 Cc1cn2cc(ccc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H24N4O3/c1-15-10-28-11-17(4-6-20(28)26-15)16-3-5-19-18(9-16)24(14-30-21(25)27-24)22(12-29-13-22)23(31-19)7-2-8-23/h3-6,9-11H,2,7-8,12-14H2,1H3,(H2,25,27) JKGOTVHTXJKXLS-UHFFFAOYSA-N 149786 US8975415, RP67::US9242973, RP67 Beta-secretase 1 Homo sapiens 96500 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90017611 252159322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288603 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cc(Cl)cnc1F InChI=1S/C18H15ClFN3O2/c19-11-6-12(15(20)22-7-11)10-1-2-14-13(5-10)18(9-25-16(21)23-18)17(3-4-17)8-24-14/h1-2,5-7H,3-4,8-9H2,(H2,21,23) YLFDDYWNYJPIAU-UHFFFAOYSA-N 149823 US8975415, RP104::US9242973, RP104 Beta-secretase 1 Homo sapiens 1130 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056260 252159353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288604 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 316 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288605 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ccn1 InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-7-12(3-4-16(14)27-18)15-8-13(21)5-6-23-15/h3-8H,9-11H2,1-2H3,(H2,22,24) UNACISPQELMJNE-UHFFFAOYSA-N 149868 US8975415, RP149::US9242973, RP149 Beta-secretase 1 Homo sapiens 1593 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056467 252159396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288606 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)n1 InChI=1S/C19H19ClN4O3/c1-17(2)18(8-25-9-18)19(10-26-16(21)24-19)12-5-11(3-4-14(12)27-17)13-6-22-7-15(20)23-13/h3-7H,8-10H2,1-2H3,(H2,21,24) ZRRKOIHRTBFWMQ-UHFFFAOYSA-N 149869 US8975415, RP150::US9242973, RP150 Beta-secretase 1 Homo sapiens 759 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056468 252159397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288607 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25) GETMSLAWJGDJFJ-UHFFFAOYSA-N 149873 US8975415, RP154::US9242973, RP154 Beta-secretase 1 Homo sapiens 313 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056479 252159401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288608 COc1ncc(Cl)cc1-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)15-6-12(4-5-16(15)29-19)14-7-13(22)8-24-17(14)26-3/h4-8H,9-11H2,1-3H3,(H2,23,25) SBSSYSBKPBOHJP-UHFFFAOYSA-N 149874 US8975415, RP155::US9242973, RP155 Beta-secretase 1 Homo sapiens 786 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056470 252159402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288609 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccnc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-7-12(3-4-15(14)27-18)13-5-6-23-16(21)8-13/h3-8H,9-11H2,1-2H3,(H2,22,24) WMXJIIQTWLMWSN-UHFFFAOYSA-N 149882 US8975415, RP163::US9242973, RP163 Beta-secretase 1 Homo sapiens 1064 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054967 252159410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288610 COc1cc(ccn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)15-8-13(4-5-16(15)28-19)14-6-7-23-17(9-14)25-3/h4-9H,10-12H2,1-3H3,(H2,22,24) KHXXKWQBUJEQDU-UHFFFAOYSA-N 149883 US8975415, RP164::US9242973, RP164 Beta-secretase 1 Homo sapiens 2314 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054969 252159411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288611 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cnc2[nH]ccc2c1 149887 US8975415, RP168::US9242973, RP168 Beta-secretase 1 Homo sapiens 760 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248935 252159415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288612 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(O)cc(F)c1 InChI=1S/C21H21FN2O4/c1-19(2)20(9-26-10-20)21(11-27-18(23)24-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(25)6-13/h3-8,25H,9-11H2,1-2H3,(H2,23,24) XLOPHQHRSBOSNE-UHFFFAOYSA-N 149888 US8975415, RP169::US9242973, RP169 Beta-secretase 1 Homo sapiens 859 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054977 252159416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288613 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(ccc1F)C#N InChI=1S/C22H20FN3O3/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-8-14(4-6-18(16)29-20)15-7-13(9-24)3-5-17(15)23/h3-8H,10-12H2,1-2H3,(H2,25,26) GSTHBYLKRBWKOI-UHFFFAOYSA-N 149889 US8975415, RP170::US9242973, RP170 Beta-secretase 1 Homo sapiens 588 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054972 252159417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288614 CNC(=O)c1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24FN3O4/c1-21(2)22(10-29-11-22)23(12-30-20(25)27-23)17-9-13(4-5-18(17)31-21)14-6-15(19(28)26-3)8-16(24)7-14/h4-9H,10-12H2,1-3H3,(H2,25,27)(H,26,28) UQPAONODJFHYMD-UHFFFAOYSA-N 149890 US8975415, RP171::US9242973, RP171 Beta-secretase 1 Homo sapiens 3040 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055976 252159418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288615 CCC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H30N2O3/c1-4-15-5-7-16(8-6-15)17-9-10-19-18(11-17)23(14-27-20(24)25-23)22(12-26-13-22)21(2,3)28-19/h7,9-11,15H,4-6,8,12-14H2,1-3H3,(H2,24,25) CTBXKHLRFQFYGO-UHFFFAOYSA-N 149891 US8975415, RP172::US9242973, RP172 Beta-secretase 1 Homo sapiens 2160 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246746 252159419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288616 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)15-6-12(3-4-16(15)27-18)13-5-14(21)8-23-7-13/h3-8H,9-11H2,1-2H3,(H2,22,24) SVHNMBSDZDNXOE-UHFFFAOYSA-N 149892 US8975415, RP173::US9242973, RP173 Beta-secretase 1 Homo sapiens 239 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055977 252159420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288618 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cc[nH]c12 149894 US8975415, RP175::US9242973, RP175 Beta-secretase 1 Homo sapiens 1550 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056010 252159422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288619 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ncc12 149895 US8975415, RP176::US9242973, RP176 Beta-secretase 1 Homo sapiens 994 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055965 252159423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288620 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ncc2c1 149896 US8975415, RP177::US9242973, RP177 Beta-secretase 1 Homo sapiens 2120 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055966 252159424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288621 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2nonc2c1 InChI=1S/C21H20N4O4/c1-19(2)20(9-26-10-20)21(11-27-18(22)23-21)14-7-12(4-6-17(14)28-19)13-3-5-15-16(8-13)25-29-24-15/h3-8H,9-11H2,1-2H3,(H2,22,23) PKUHVJVJHBYAMJ-UHFFFAOYSA-N 149897 US8975415, RP178::US9242973, RP178 Beta-secretase 1 Homo sapiens 747 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055967 252159425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288622 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cccnc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)18-11-16(8-9-19(18)30-22)17-7-3-5-15-6-4-10-26-20(15)17/h3-11H,12-14H2,1-2H3,(H2,25,27) VJBWMBRNRXJSBA-UHFFFAOYSA-N 149898 US8975415, RP179::US9242973, RP179 Beta-secretase 1 Homo sapiens 2060 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056005 252159426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288623 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cnccc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)19-10-15(6-7-20(19)30-22)17-5-3-4-16-11-26-9-8-18(16)17/h3-11H,12-14H2,1-2H3,(H2,25,27) BKDQSRMNJPVQTC-UHFFFAOYSA-N 149899 US8975415, RP180::US9242973, RP180 Beta-secretase 1 Homo sapiens 1770 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246747 252159427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288624 COC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H24N2O4/c1-17(2)18(10-23-11-18)19(12-24-16(20)21-19)14-9-13(5-4-8-22-3)6-7-15(14)25-17/h4-7,9H,8,10-12H2,1-3H3,(H2,20,21)/b5-4+ INLZNNXNRQPRBS-SNAWJCMRSA-N 149900 US8975415, RP181::US9242973, RP181 Beta-secretase 1 Homo sapiens 2130 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246748 252159428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288625 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2OCOc2c1 InChI=1S/C22H22N2O5/c1-20(2)21(9-25-10-21)22(11-26-19(23)24-22)15-7-13(3-5-16(15)29-20)14-4-6-17-18(8-14)28-12-27-17/h3-8H,9-12H2,1-2H3,(H2,23,24) WDLWOGRZCRSSNH-UHFFFAOYSA-N 149901 US8975415, RP182::US9242973, RP182 Beta-secretase 1 Homo sapiens 1450 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055993 252159429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288626 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)31-19)13-4-3-5-15(8-13)30-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) QIAHDRDUKXPIPE-UHFFFAOYSA-N 149902 US8975415, RP183::US9242973, RP183 Beta-secretase 1 Homo sapiens 880 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246749 252159430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288627 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccccc1OC(F)(F)F InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)15-9-13(7-8-17(15)30-19)14-5-3-4-6-16(14)31-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) DXUBDEWFIYBFBX-UHFFFAOYSA-N 149903 US8975415, RP184::US9242973, RP184 Beta-secretase 1 Homo sapiens 2720 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056337 252159431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288628 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1c(F)ccc(F)c1F InChI=1S/C21H19F3N2O3/c1-19(2)20(8-27-9-20)21(10-28-18(25)26-21)12-7-11(3-6-15(12)29-19)16-13(22)4-5-14(23)17(16)24/h3-7H,8-10H2,1-2H3,(H2,25,26) MDDVTIQXTKOMRK-UHFFFAOYSA-N 149904 US8975415, RP185::US9242973, RP185 Beta-secretase 1 Homo sapiens 1270 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056333 252159432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288629 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ccc12 149905 US8975415, RP186::US9242973, RP186 Beta-secretase 1 Homo sapiens 2420 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056339 252159433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288630 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc(OC(F)F)cc1 InChI=1S/C22H22F2N2O4/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-9-14(5-8-17(16)30-20)13-3-6-15(7-4-13)29-18(23)24/h3-9,18H,10-12H2,1-2H3,(H2,25,26) DBMWNPACPWCFOJ-UHFFFAOYSA-N 149906 US8975415, RP187::US9242973, RP187 Beta-secretase 1 Homo sapiens 1920 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056335 252159434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288631 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc2ccccc12 InChI=1S/C25H23N3O3/c26-22-28-25(15-30-22)20-10-16(19-12-27-11-17-4-1-2-5-18(17)19)6-7-21(20)31-24(8-3-9-24)23(25)13-29-14-23/h1-2,4-7,10-12H,3,8-9,13-15H2,(H2,26,28) NFVBGAGTKRCWGE-UHFFFAOYSA-N 149929 US8975415, RP210::US9242973, RP210 Beta-secretase 1 Homo sapiens 4950 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246752 252159454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288632 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cnc2ccccc2c1 InChI=1S/C25H23N3O3/c26-22-28-25(15-30-22)19-11-16(18-10-17-4-1-2-5-20(17)27-12-18)6-7-21(19)31-24(8-3-9-24)23(25)13-29-14-23/h1-2,4-7,10-12H,3,8-9,13-15H2,(H2,26,28) NXLOZNMRWJNNJD-UHFFFAOYSA-N 149930 US8975415, RP211::US9242973, RP211 Beta-secretase 1 Homo sapiens 19400 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246753 252159455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288633 Cn1cc2cc(ccc2n1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H20N4O2/c1-25-10-15-8-13(2-4-17(15)24-25)14-3-5-18-16(9-14)21(12-27-19(22)23-21)20(6-7-20)11-26-18/h2-5,8-10H,6-7,11-12H2,1H3,(H2,22,23) LYIYOHNNHUSMFQ-UHFFFAOYSA-N 149932 US8975415, RP213::US9242973, RP213 Beta-secretase 1 Homo sapiens 39600 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056496 252159457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288634 CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 CWCLNAMDVBTHAU-NRFANRHFSA-N 149937 US8975415, 219::US9242973, 219 Beta-secretase 1 Homo sapiens 41.8 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90236720 252159462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288617 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ccc2c1 149893 US8975415, RP174::US9242973, RP174 Beta-secretase 1 Homo sapiens 2180 US Patent 10.7270/Q2SB44GN aid1800971 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724314 252159421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290114 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(F)cn2)c1 InChI=1S/C22H19F2N7OS/c23-15-4-5-18(26-7-15)19(32)29-17-3-1-2-13(6-17)22-12-31(21-27-8-16(24)9-28-21)10-14(22)11-33-20(25)30-22/h1-9,14H,10-12H2,(H2,25,30)(H,29,32)/t14-,22+/m0/s1 ZTBLMRQYSTZEMI-RCDICMHDSA-N 150686 US8987254, 1::US9999624, 1 Beta-secretase 1 Homo sapiens 0.610 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762780 252824937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290115 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2cnc(CO)cn2)c1 InChI=1S/C22H21FN8O2S/c23-15-5-27-21(28-6-15)31-9-14-11-34-20(24)30-22(14,12-31)13-2-1-3-16(4-13)29-19(33)18-8-25-17(10-32)7-26-18/h1-8,14,32H,9-12H2,(H2,24,30)(H,29,33)/t14-,22+/m0/s1 DIMKSDGXKNXQSU-RCDICMHDSA-N 150687 US8987254, 2 Beta-secretase 1 Homo sapiens 0.482 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90451261 252824938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290116 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H18F3N7OS/c23-13-1-4-18(27-6-13)19(33)30-15-2-3-17(25)16(5-15)22-11-32(21-28-7-14(24)8-29-21)9-12(22)10-34-20(26)31-22/h1-8,12H,9-11H2,(H2,26,31)(H,30,33)/t12-,22-/m0/s1 RNPOMBJFPXUWGB-YTEVENLXSA-N 150688 US8987254, 3::US9999624, 3 Beta-secretase 1 Homo sapiens 0.554 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90402017 252824939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290117 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2cnc(CO)cn2)ccc1F InChI=1S/C22H20F2N8O2S/c23-13-4-28-21(29-5-13)32-8-12-10-35-20(25)31-22(12,11-32)16-3-14(1-2-17(16)24)30-19(34)18-7-26-15(9-33)6-27-18/h1-7,12,33H,8-11H2,(H2,25,31)(H,30,34)/t12-,22-/m0/s1 QCXNZLHREXOUDA-YTEVENLXSA-N 150689 US8987254, 4 Beta-secretase 1 Homo sapiens 0.569 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90451262 252824940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290118 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(cn2)[N+]#[C-])c1 InChI=1S/C23H19FN8OS/c1-26-18-5-6-19(27-10-18)20(33)30-17-4-2-3-14(7-17)23-13-32(22-28-8-16(24)9-29-22)11-15(23)12-34-21(25)31-23/h2-10,15H,11-13H2,(H2,25,31)(H,30,33)/t15-,23+/m0/s1 DSGIWSNNBLTVRA-NPMXOYFQSA-N 150690 US8987254, 5 Beta-secretase 1 Homo sapiens 0.450 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91937228 252824941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290119 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ncc(F)cc2F)c1 InChI=1S/C22H18F3N7OS/c23-14-5-17(25)18(27-6-14)19(33)30-16-3-1-2-12(4-16)22-11-32(21-28-7-15(24)8-29-21)9-13(22)10-34-20(26)31-22/h1-8,13H,9-11H2,(H2,26,31)(H,30,33)/t13-,22+/m0/s1 KEPOOTXKSNZTNN-WHEQGISXSA-N 150691 US8987254, 6::US9999624, 7 Beta-secretase 1 Homo sapiens 0.739 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762785 252824942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290120 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C23H18F2N8OS/c1-27-16-3-5-19(28-9-16)20(34)31-15-2-4-18(25)17(6-15)23-12-33(22-29-7-14(24)8-30-22)10-13(23)11-35-21(26)32-23/h2-9,13H,10-12H2,(H2,26,32)(H,31,34)/t13-,23-/m0/s1 QSJPABCOZGEIEO-NPMABZOXSA-N 150692 US8987254, 7 Beta-secretase 1 Homo sapiens 0.358 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91937229 252824943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290121 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C22H17F4N7OS/c23-12-3-17(26)18(28-5-12)19(34)31-14-1-2-16(25)15(4-14)22-10-33(21-29-6-13(24)7-30-21)8-11(22)9-35-20(27)32-22/h1-7,11H,8-10H2,(H2,27,32)(H,31,34)/t11-,22-/m0/s1 LNRQLHAIEKKCPQ-SAHAZLINSA-N 150693 US8987254, 8::US9999624, 9 Beta-secretase 1 Homo sapiens 0.730 4.6 25.00 C US Patent 10.7270/Q2FX786M aid1800996 US8987254 Green, SJ; Mergott, DJ; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762789 252824944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290122 CC[C@@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)[N+]#[C-])CC[C@@H]1OC InChI=1S/C25H28N6O2/c1-4-16-13-24(9-8-20(16)33-3)14-17-6-7-18(27-2)12-19(17)25(24)22(32)31(23(26)30-25)15-21-28-10-5-11-29-21/h5-7,10-12,16,20H,4,8-9,13-15H2,1,3H3,(H2,26,30)/t16-,20+,24+,25-/m1/s1 AVVORUVBZPZBAG-VKHXMUCXSA-N 150694 US8981112, 1 Beta-secretase 1 Homo sapiens 11 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91937230 252824945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290123 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)CC[C@H]1OC InChI=1S/C26H34N4O3/c1-3-19-13-25(9-6-22(19)32-2)14-20-5-4-18(15-27)12-21(20)26(25)23(31)30(24(28)29-26)16-17-7-10-33-11-8-17/h4-5,12,17,19,22H,3,6-11,13-14,16H2,1-2H3,(H2,28,29)/t19-,22-,25-,26-/m1/s1 UJANDVCNDHMIFD-CMUPFOSCSA-N 150695 US8981112, 2::US9526727, 2::US9949975, Example 2 Beta-secretase 1 Homo sapiens 8 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727147 252824946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290124 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1OC InChI=1S/C24H31FN4O2/c1-5-16-11-23(9-8-19(16)31-4)12-17-7-6-15(13-26)10-18(17)24(23)20(30)29(21(27)28-24)14-22(2,3)25/h6-7,10,16,19H,5,8-9,11-12,14H2,1-4H3,(H2,27,28)/t16-,19-,23-,24-/m1/s1 SQCFBTIRDMHJJB-MVPFYTHOSA-N 150696 US8981112, 3::US9526727, 3::US9949975, Example 3 Beta-secretase 1 Homo sapiens 10 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879584 252824947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290125 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)CC[C@H]1OC InChI=1S/C26H33FN4O3/c1-3-18-13-24(7-6-21(18)33-2)14-19-5-4-17(15-28)12-20(19)26(24)22(32)31(23(29)30-26)16-25(27)8-10-34-11-9-25/h4-5,12,18,21H,3,6-11,13-14,16H2,1-2H3,(H2,29,30)/t18-,21-,24-,26-/m1/s1 QXSKKNJNJXCPLU-TZIFIOAZSA-N 150697 US8981112, 4::US9526727, 4 Beta-secretase 1 Homo sapiens 5 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727266 252824948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290126 CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC InChI=1S/C25H32N4O3/c1-3-17-12-24(9-8-21(17)31-2)13-18-7-6-16(14-26)11-20(18)25(24)22(30)29(23(27)28-25)15-19-5-4-10-32-19/h6-7,11,17,19,21H,3-5,8-10,12-13,15H2,1-2H3,(H2,27,28)/t17-,19+,21-,24-,25+/m0/s1 YXYULMWUAULFQM-WSXGSKLPSA-N 150698 US8981112, 5 Beta-secretase 1 Homo sapiens 8 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879611 252824949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290127 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H26N6O2/c1-15-11-23(7-6-19(15)32-2)12-17-5-4-16(13-25)10-18(17)24(23)21(31)30(22(26)29-24)14-20-27-8-3-9-28-20/h3-5,8-10,15,19H,6-7,11-12,14H2,1-2H3,(H2,26,29)/t15-,19-,23-,24+/m0/s1 TXIYYIMILCUFDC-VYTCSICCSA-N 150699 US8981112, 6::US9526727, 6::US9949975, Example 6 Beta-secretase 1 Homo sapiens 11 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879583 252824950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290128 COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1)C#N InChI=1S/C22H28N4O3/c1-14-11-21(7-6-18(14)29-3)12-16-5-4-15(13-23)10-17(16)22(21)19(27)26(8-9-28-2)20(24)25-22/h4-5,10,14,18H,6-9,11-12H2,1-3H3,(H2,24,25)/t14-,18-,21-,22+/m0/s1 OVRSLXJBYXZOSU-RIVOMEERSA-N 150700 US8981112, 7::US9526727, 7::US9949975, Example 7 Beta-secretase 1 Homo sapiens 2 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879582 252824951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290129 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H30N4O3/c1-15-9-23(7-6-19(15)30-3)10-17-5-4-16(11-25)8-18(17)24(23)20(29)28(21(26)27-24)12-22(2)13-31-14-22/h4-5,8,15,19H,6-7,9-10,12-14H2,1-3H3,(H2,26,27)/t15-,19-,23-,24+/m0/s1 QXXFWNTWBZPZPY-VYTCSICCSA-N 150701 US8981112, 8::US9526727, 8::US9949975, Example 8 Beta-secretase 1 Homo sapiens 5 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879587 252824952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290130 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H26N6O2/c1-15-10-23(7-5-20(15)32-2)11-17-4-3-16(12-25)9-19(17)24(23)21(31)30(22(26)29-24)13-18-6-8-27-14-28-18/h3-4,6,8-9,14-15,20H,5,7,10-11,13H2,1-2H3,(H2,26,29)/t15-,20-,23-,24+/m0/s1 NAZOMBGGSSUBEQ-SOPLCPCWSA-N 150702 US8981112, 9::US9526727, 9::US9949975, Example 9 Beta-secretase 1 Homo sapiens 9 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879593 252824953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290131 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncc(F)cn3)C2=O)C#N)C[C@H]1C InChI=1S/C25H27FN6O2/c1-14-7-24(8-15(2)21(14)34-3)9-17-5-4-16(10-27)6-19(17)25(24)22(33)32(23(28)31-25)13-20-29-11-18(26)12-30-20/h4-6,11-12,14-15,21H,7-9,13H2,1-3H3,(H2,28,31)/t14-,15+,21+,24+,25-/m1/s1 FGMJWLOJKFMCPL-MJXPOCGOSA-N 150703 US8981112, 10::US9526727, 10::US9949975, Example 10 Beta-secretase 1 Homo sapiens 9 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879629 252824954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290132 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-8-24(9-16(2)20(15)31-4)10-18-6-5-17(11-26)7-19(18)25(24)21(30)29(22(27)28-25)12-23(3)13-32-14-23/h5-7,15-16,20H,8-10,12-14H2,1-4H3,(H2,27,28)/t15-,16+,20+,24+,25-/m1/s1 COAXYAPFKPSVLK-QDOHHUBKSA-N 150704 US8981112, 11::US9526727, 11::US9949975, Example 11 Beta-secretase 1 Homo sapiens 4 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727378 252824955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290133 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C23H28N4O3/c1-13-7-22(8-14(2)19(13)29-3)9-16-5-4-15(10-24)6-18(16)23(22)20(28)27(21(25)26-23)17-11-30-12-17/h4-6,13-14,17,19H,7-9,11-12H2,1-3H3,(H2,25,26)/t13-,14+,19+,22+,23-/m1/s1 ITJCNBXOVGQPSD-PIXIMPLDSA-N 150705 US8981112, 12::US9526727, 12::US9949975, Example 12 Beta-secretase 1 Homo sapiens 3 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727379 252824956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290134 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C24H30N4O3/c1-14-7-23(8-15(2)20(14)30-3)9-18-5-4-16(10-25)6-19(18)24(23)21(29)28(22(26)27-24)11-17-12-31-13-17/h4-6,14-15,17,20H,7-9,11-13H2,1-3H3,(H2,26,27)/t14-,15+,20+,23+,24-/m1/s1 OHZNLQUPCCOTBQ-MAONGBLGSA-N 150706 US8981112, 13::US9526727, 13::US9949975, Example 13 Beta-secretase 1 Homo sapiens 9 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727380 252824957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290135 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1 RRWJBJFMOGIAEN-HVVJEGBZSA-N 150707 US8981112, 14::US9526727, 14::US9949975, Example 14 Beta-secretase 1 Homo sapiens 5 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727381 252824958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290136 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25+/m0/s1 RRWJBJFMOGIAEN-OIIFEQBSSA-N 150708 US8981112, 15::US9526727, 15::US9949975, Example 15 Beta-secretase 1 Homo sapiens 11 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727479 252824959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290137 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)C[C@H]1C InChI=1S/C26H34N4O3/c1-16-11-25(12-17(2)22(16)32-3)13-20-5-4-19(14-27)10-21(20)26(25)23(31)30(24(28)29-26)15-18-6-8-33-9-7-18/h4-5,10,16-18,22H,6-9,11-13,15H2,1-3H3,(H2,28,29)/t16-,17+,22+,25+,26-/m1/s1 RZZSRVAOSSMTRH-WKOBYHNDSA-N 150709 US8981112, 16::US9526727, 16::US9949975, Example 16 Beta-secretase 1 Homo sapiens 11 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727480 252824960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290138 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H]1C InChI=1S/C24H31FN4O2/c1-14-9-23(10-15(2)19(14)31-5)11-17-7-6-16(12-26)8-18(17)24(23)20(30)29(21(27)28-24)13-22(3,4)25/h6-8,14-15,19H,9-11,13H2,1-5H3,(H2,27,28)/t14-,15+,19+,23+,24-/m1/s1 HCGUDALTEALZLY-QSVRWKSBSA-N 150710 US8981112, 17::US9526727, 17::US9949975, Example 17 Beta-secretase 1 Homo sapiens 14 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727481 252824961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290139 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCO3)C2=O)C#N)C[C@H]1C InChI=1S/C24H30N4O3/c1-14-9-23(10-15(2)20(14)30-3)11-17-5-4-16(12-25)8-19(17)24(23)21(29)28(22(26)27-24)13-18-6-7-31-18/h4-5,8,14-15,18,20H,6-7,9-11,13H2,1-3H3,(H2,26,27)/t14-,15+,18-,20+,23+,24+/m0/s1 LJFKSSWZKKREPW-RKSTXIPJSA-N 150711 US8981112, 18::US9526727, 18::US9949975, Example 18 Beta-secretase 1 Homo sapiens 9 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727482 252824962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290140 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-9-24(10-16(2)21(15)31-3)11-19-5-4-17(12-26)8-20(19)25(24)22(30)29(23(27)28-25)7-6-18-13-32-14-18/h4-5,8,15-16,18,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,21+,24+,25-/m1/s1 XKBCAKDBQRZNQK-XJZPSQEMSA-N 150712 US8981112, 19::US9526727, 19::US9949975, Example 19 Beta-secretase 1 Homo sapiens 6 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727483 252824963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290141 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3COCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1 CYSJYHKFWGTAAK-HVVJEGBZSA-N 150714 US8981112, 21::US9526727, 21::US9949975, Example 21 Beta-secretase 1 Homo sapiens 5 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727590 252824965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290142 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3COCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25+/m0/s1 CYSJYHKFWGTAAK-OIIFEQBSSA-N 150715 US8981112, 22::US9526727, 22::US9949975, Example 22 Beta-secretase 1 Homo sapiens 8 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727589 252824966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290143 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@H]1C InChI=1S/C26H33FN4O3/c1-16-11-24(12-17(2)21(16)33-3)13-19-5-4-18(14-28)10-20(19)26(24)22(32)31(23(29)30-26)15-25(27)6-8-34-9-7-25/h4-5,10,16-17,21H,6-9,11-13,15H2,1-3H3,(H2,29,30)/t16-,17+,21+,24+,26-/m1/s1 XPTJAOBXRHUNIM-PGRKHRFDSA-N 150716 US8981112, 23::US9526727, 23::US9949975, Example 23 Beta-secretase 1 Homo sapiens 12 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727591 252824967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290144 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@H]1C InChI=1S/C25H28N6O2/c1-15-9-24(10-16(2)21(15)33-3)11-18-5-4-17(12-26)8-20(18)25(24)22(32)31(23(27)30-25)13-19-6-7-28-14-29-19/h4-8,14-16,21H,9-11,13H2,1-3H3,(H2,27,30)/t15-,16+,21+,24+,25-/m1/s1 LTLVFITWDXOWJL-XJZPSQEMSA-N 150717 US8981112, 24::US9526727, 24::US9949975, Example 24 Beta-secretase 1 Homo sapiens 5 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727592 252824968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290145 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1OC InChI=1S/C25H33FN4O2/c1-6-17-11-24(10-15(2)20(17)32-5)12-18-8-7-16(13-27)9-19(18)25(24)21(31)30(22(28)29-25)14-23(3,4)26/h7-9,15,17,20H,6,10-12,14H2,1-5H3,(H2,28,29)/t15-,17+,20+,24+,25+/m0/s1 XXMUGULHTPQVQB-SWWUJTLOSA-N 150719 US8981112, 26::US9526727, 26::US9949975, Example 26 Beta-secretase 1 Homo sapiens 9 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727700 252824970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 290146 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H30N4O4/c1-15-10-23(6-5-20(15)30-2)11-17-4-3-16(12-25)9-19(17)24(23)21(29)28(22(26)27-24)13-18-14-31-7-8-32-18/h3-4,9,15,18,20H,5-8,10-11,13-14H2,1-2H3,(H2,26,27)/t15-,18?,20-,23-,24+/m0/s1 WOUFNQIOIHETNJ-GAGWAJJTSA-N 150720 US8981112, 27::US9526727, 27::US9949975, Example 27 Beta-secretase 1 Homo sapiens 6 4.4 US Patent 10.7270/Q2B56HG6 aid1800997 US8981112 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727701 252824971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287627 Cc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O InChI=1S/C20H18O4/c1-14-12-16(6-11-20(14)24)5-10-19(23)13-18(22)9-4-15-2-7-17(21)8-3-15/h2-12,21,24H,13H2,1H3/b9-4+,10-5+ CBGHRQDIELUAQN-LUZURFALSA-N 149231 US8962674, CU029 Beta-secretase 1 Homo sapiens 720 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24966388 252149187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287628 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(Cl)c2)cc1 InChI=1S/C19H15ClO4/c20-18-11-14(5-10-19(18)24)4-9-17(23)12-16(22)8-3-13-1-6-15(21)7-2-13/h1-11,21,24H,12H2/b8-3+,9-4+ SKADJJSJNRYPGV-BQYBEJQRSA-N 149232 US8962674, CU042 Beta-secretase 1 Homo sapiens 730 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554904 252149188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287629 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OC)c1 InChI=1S/C21H20O5/c1-25-20-12-7-16(21(14-20)26-2)6-11-19(24)13-18(23)10-5-15-3-8-17(22)9-4-15/h3-12,14,22H,13H2,1-2H3/b10-5+,11-6+ YESLXXNBMLOHEI-YOYBCKCWSA-N 149233 US8962674, CU072 Beta-secretase 1 Homo sapiens 970 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68548781 252149189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287630 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2OC)ccc1O InChI=1S/C21H20O6/c1-26-20-13-18(24)9-6-15(20)5-8-17(23)12-16(22)7-3-14-4-10-19(25)21(11-14)27-2/h3-11,13,24-25H,12H2,1-2H3/b7-3+,8-5+ QAOTWNNTGAUPFL-IUMFQGNOSA-N 149234 US8962674, CU085 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68552247 252149190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287631 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2OC)cc1O InChI=1S/C21H20O6/c1-26-20-10-4-14(11-19(20)25)3-7-16(22)12-17(23)8-5-15-6-9-18(24)13-21(15)27-2/h3-11,13,24-25H,12H2,1-2H3/b7-3+,8-5+ OQLDCNYOYHVKGL-IUMFQGNOSA-N 149235 US8962674, CU086 Beta-secretase 1 Homo sapiens 2100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68547521 252149191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287632 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2O)cc1 InChI=1S/C19H16O5/c20-15-5-1-13(2-6-15)3-7-17(22)12-18(23)8-4-14-11-16(21)9-10-19(14)24/h1-11,20-21,24H,12H2/b7-3+,8-4+ ZIEXFCKKKXSBTB-FCXRPNKRSA-N 149236 US8962674, CU090 Beta-secretase 1 Homo sapiens 2200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550003 252149192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287633 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2O)cc1O InChI=1S/C20H18O6/c1-26-20-9-3-13(10-19(20)25)2-5-16(22)12-17(23)6-4-14-11-15(21)7-8-18(14)24/h2-11,21,24-25H,12H2,1H3/b5-2+,6-4+ UFWFMWJTILWRIJ-YBSXJGAUSA-N 149237 US8962674, CU091 Beta-secretase 1 Homo sapiens 1400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550047 252149193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287634 COc1cc(OC)cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1 InChI=1S/C22H22O6/c1-26-19-10-16(11-20(14-19)27-2)5-8-18(24)13-17(23)7-4-15-6-9-21(25)22(12-15)28-3/h4-12,14,25H,13H2,1-3H3/b7-4+,8-5+ LKAFLRLGQWNQFW-NSLJXJERSA-N 149238 US8962674, CU100 Beta-secretase 1 Homo sapiens 3400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551476 252149194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287635 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3ccccc23)cc1 InChI=1S/C21H17NO3/c23-17-9-5-15(6-10-17)7-11-18(24)13-19(25)12-8-16-14-22-21-4-2-1-3-20(16)21/h1-12,14,22-23H,13H2/b11-7+,12-8+ PHCYJGQMULLQLM-MKICQXMISA-N 149239 US8962674, CU110 Beta-secretase 1 Homo sapiens 1700 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68552565 252149195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287636 COc1ccc2ccccc2c1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C24H20O4/c1-28-24-15-9-18-4-2-3-5-22(18)23(24)14-13-21(27)16-20(26)12-8-17-6-10-19(25)11-7-17/h2-15,25H,16H2,1H3/b12-8+,14-13+ BEQFOVMAQPAIQM-KRQHZRJMSA-N 149240 US8962674, CU115 Beta-secretase 1 Homo sapiens 1600 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68552174 252149196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287637 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)c3ccccc23)ccc1O InChI=1S/C25H22O5/c1-29-24-14-10-18(21-5-3-4-6-22(21)24)9-12-20(27)16-19(26)11-7-17-8-13-23(28)25(15-17)30-2/h3-15,28H,16H2,1-2H3/b11-7+,12-9+ POENYGWRHSILJH-HNWKWBPYSA-N 149241 US8962674, CU118 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24952795 252149197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287638 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)cc1 InChI=1S/C19H15ClO4/c20-19-12-18(24)10-5-14(19)4-9-17(23)11-16(22)8-3-13-1-6-15(21)7-2-13/h1-10,12,21,24H,11H2/b8-3+,9-4+ OZJAQAZWUMBBRA-BQYBEJQRSA-N 149242 US8962674, CU127 Beta-secretase 1 Homo sapiens 1000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538344 252149198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287639 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)ccc1O InChI=1S/C20H17ClO5/c1-26-20-10-13(3-9-19(20)25)2-6-15(22)11-16(23)7-4-14-5-8-17(24)12-18(14)21/h2-10,12,24-25H,11H2,1H3/b6-2+,7-4+ DUPPRTUHVNSIFZ-DDEVBNQJSA-N 149243 US8962674, CU129 Beta-secretase 1 Homo sapiens 810 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538441 252149199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287640 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)cc1O InChI=1S/C20H17ClO5/c1-26-20-9-3-13(10-19(20)25)2-6-15(22)11-16(23)7-4-14-5-8-17(24)12-18(14)21/h2-10,12,24-25H,11H2,1H3/b6-2+,7-4+ RXQXVRGLDJZDSS-DDEVBNQJSA-N 149244 US8962674, CU130 Beta-secretase 1 Homo sapiens 1500 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538442 252149200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287641 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1 InChI=1S/C19H15NO6/c21-15-5-1-13(2-6-15)3-7-17(23)12-18(24)8-4-14-11-16(22)9-10-19(14)20(25)26/h1-11,21-22H,12H2/b7-3+,8-4+ UFEQXTBGESFALG-FCXRPNKRSA-N 149245 US8962674, CU131 Beta-secretase 1 Homo sapiens 910 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538443 252149201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287642 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)ccc1O InChI=1S/C20H17NO7/c1-28-20-10-13(3-9-19(20)25)2-5-16(23)12-17(24)6-4-14-11-15(22)7-8-18(14)21(26)27/h2-11,22,25H,12H2,1H3/b5-2+,6-4+ LNSAEBZJESSXMF-YBSXJGAUSA-N 149246 US8962674, CU132 Beta-secretase 1 Homo sapiens 790 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538444 252149202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287643 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1O InChI=1S/C20H17NO7/c1-28-20-9-3-13(10-19(20)25)2-5-16(23)12-17(24)6-4-14-11-15(22)7-8-18(14)21(26)27/h2-11,22,25H,12H2,1H3/b5-2+,6-4+ BKHNLDQVVSRLCV-YBSXJGAUSA-N 149247 US8962674, CU133 Beta-secretase 1 Homo sapiens 630 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538445 252149203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287644 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1F InChI=1S/C20H17FO4/c1-25-20-12-15(6-11-19(20)21)5-10-18(24)13-17(23)9-4-14-2-7-16(22)8-3-14/h2-12,22H,13H2,1H3/b9-4+,10-5+ LDSZISFMNODGLV-LUZURFALSA-N 149248 US8962674, CU137 Beta-secretase 1 Homo sapiens 1600 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550078 252149204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287645 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(F)c(OC)c2)ccc1O InChI=1S/C21H19FO5/c1-26-20-11-14(5-9-18(20)22)3-7-16(23)13-17(24)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,25H,13H2,1-2H3/b7-3+,8-4+ NUBPHIYWJPLSLY-FCXRPNKRSA-N 149249 US8962674, CU138 Beta-secretase 1 Homo sapiens 2200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68546475 252149205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287646 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3ccccc23)ccc1O InChI=1S/C22H19NO4/c1-27-22-12-15(7-11-21(22)26)6-9-17(24)13-18(25)10-8-16-14-23-20-5-3-2-4-19(16)20/h2-12,14,23,26H,13H2,1H3/b9-6+,10-8+ UOXOPQJOXXDDNW-OAMUUVBCSA-N 149250 US8962674, CU148 Beta-secretase 1 Homo sapiens 1300 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551763 252149206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287647 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cccc3ccccc23)ccc1O InChI=1S/C24H20O4/c1-28-24-15-17(10-14-23(24)27)9-12-20(25)16-21(26)13-11-19-7-4-6-18-5-2-3-8-22(18)19/h2-15,27H,16H2,1H3/b12-9+,13-11+ VRPDCKJBZJTFFD-RBDPUHSXSA-N 149251 US8962674, CU150 Beta-secretase 1 Homo sapiens 2000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554547 252149207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287648 COc1cc(ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1)N(C)C InChI=1S/C22H23NO4/c1-23(2)18-9-7-17(22(14-18)27-3)8-13-21(26)15-20(25)12-6-16-4-10-19(24)11-5-16/h4-14,24H,15H2,1-3H3/b12-6+,13-8+ LITKTJGKGUAQPC-XTUZQTQMSA-N 149252 US8962674, CU153 Beta-secretase 1 Homo sapiens 1100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550054 252149208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287649 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(N(C)C)c3ccccc23)cc1O InChI=1S/C26H25NO4/c1-27(2)24-14-11-19(22-6-4-5-7-23(22)24)10-13-21(29)17-20(28)12-8-18-9-15-26(31-3)25(30)16-18/h4-16,30H,17H2,1-3H3/b12-8+,13-10+ WVYVOPQYWRNDCH-SDCOAONHSA-N 149253 US8962674, CU168 Beta-secretase 1 Homo sapiens 1800 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68547574 252149209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287650 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(O)c2OC)cc1O InChI=1S/C21H20O6/c1-26-20-11-7-14(12-19(20)25)6-9-16(22)13-17(23)10-8-15-4-3-5-18(24)21(15)27-2/h3-12,24-25H,13H2,1-2H3/b9-6+,10-8+ VZMSCIKIANDZNI-OAMUUVBCSA-N 149254 US8962674, CU176 Beta-secretase 1 Homo sapiens 2900 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16760039 252149210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287651 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3[nH]ccc3c2)ccc1O InChI=1S/C22H19NO4/c1-27-22-13-16(5-9-21(22)26)3-7-19(25)14-18(24)6-2-15-4-8-20-17(12-15)10-11-23-20/h2-13,23,26H,14H2,1H3/b6-2+,7-3+ CRUBJRVJWYVQOK-YPCIICBESA-N 149255 US8962674, CU188 Beta-secretase 1 Homo sapiens 1900 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24952086 252149211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287652 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)cc1 InChI=1S/C21H17NO3/c23-18-7-2-15(3-8-18)4-9-19(24)14-20(25)10-5-16-1-6-17-11-12-22-21(17)13-16/h1-13,22-23H,14H2/b9-4+,10-5+ BJEWEFPMNNLTGS-LUZURFALSA-N 149256 US8962674, CU189 Beta-secretase 1 Homo sapiens 800 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24952084 252149212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287653 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)ccc1O InChI=1S/C22H22N2O6/c1-23(2)17-8-6-16(20(13-17)24(28)29)7-10-19(26)14-18(25)9-4-15-5-11-21(27)22(12-15)30-3/h4-13,27H,14H2,1-3H3/b9-4+,10-7+ KBPLPUYTESUKSR-SXFWLWNESA-N 149257 US8962674, CU192 Beta-secretase 1 Homo sapiens 1500 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538446 252149213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287654 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3[nH]ccc3c2)cc1O InChI=1S/C22H19NO4/c1-27-22-9-5-16(13-21(22)26)3-7-19(25)14-18(24)6-2-15-4-8-20-17(12-15)10-11-23-20/h2-13,23,26H,14H2,1H3/b6-2+,7-3+ NRRKGMDZQRVICR-YPCIICBESA-N 149258 US8962674, CU193 Beta-secretase 1 Homo sapiens 2300 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24952444 252149214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287655 CN(C)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(c1)[N+]([O-])=O InChI=1S/C21H20N2O5/c1-22(2)17-8-6-16(21(13-17)23(27)28)7-12-20(26)14-19(25)11-5-15-3-9-18(24)10-4-15/h3-13,24H,14H2,1-2H3/b11-5+,12-7+ NTLCKGRNFSYEII-ZVKMSOOESA-N 149259 US8962674, CU194 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107688 252149215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287656 CN(C)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(Cl)c1 InChI=1S/C21H20ClNO3/c1-23(2)17-8-6-16(21(22)13-17)7-12-20(26)14-19(25)11-5-15-3-9-18(24)10-4-15/h3-13,24H,14H2,1-2H3/b11-5+,12-7+ NDJIBZPGASHJEB-ZVKMSOOESA-N 149260 US8962674, CU195 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24966743 252149216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287657 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2Cl)N(C)C)ccc1O InChI=1S/C22H22ClNO4/c1-24(2)17-8-6-16(20(23)13-17)7-10-19(26)14-18(25)9-4-15-5-11-21(27)22(12-15)28-3/h4-13,27H,14H2,1-3H3/b9-4+,10-7+ BYJICOVHMQYMSV-SXFWLWNESA-N 149261 US8962674, CU196 Beta-secretase 1 Homo sapiens 2000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68555085 252149217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287658 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)cc1O InChI=1S/C22H22N2O6/c1-23(2)17-8-6-16(20(13-17)24(28)29)7-10-19(26)14-18(25)9-4-15-5-11-22(30-3)21(27)12-15/h4-13,27H,14H2,1-3H3/b9-4+,10-7+ MPKKRDGVXMKUFQ-SXFWLWNESA-N 149262 US8962674, CU197 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551317 252149218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287659 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2Cl)N(C)C)cc1O InChI=1S/C22H22ClNO4/c1-24(2)17-8-6-16(20(23)13-17)7-10-19(26)14-18(25)9-4-15-5-11-22(28-3)21(27)12-15/h4-13,27H,14H2,1-3H3/b9-4+,10-7+ OHKSXTDNOAUAST-SXFWLWNESA-N 149263 US8962674, CU202 Beta-secretase 1 Homo sapiens 1800 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551815 252149219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287660 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc(OC)c1OC InChI=1S/C22H22O6/c1-26-20-12-16(13-21(27-2)22(20)28-3)7-11-19(25)14-18(24)10-6-15-4-8-17(23)9-5-15/h4-13,23H,14H2,1-3H3/b10-6+,11-7+ DWWGKDAVVNYNQU-JMQWPVDRSA-N 149264 US8962674, CU204 Beta-secretase 1 Homo sapiens 4000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553886 252149220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287661 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O InChI=1S/C23H24O7/c1-27-20-10-7-15(11-19(20)26)5-8-17(24)14-18(25)9-6-16-12-21(28-2)23(30-4)22(13-16)29-3/h5-13,26H,14H2,1-4H3/b8-5+,9-6+ OVPFAUUDWWESCL-XVYDYJIPSA-N 149265 US8962674, CU205 Beta-secretase 1 Homo sapiens 3000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550647 252149221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287662 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(Oc3ccccc3)c2)cc1O InChI=1S/C26H22O5/c1-30-26-15-12-20(17-25(26)29)11-14-22(28)18-21(27)13-10-19-6-5-9-24(16-19)31-23-7-3-2-4-8-23/h2-17,29H,18H2,1H3/b13-10+,14-11+ QYYRPTRNPWXYKD-IFQMDVHZSA-N 149266 US8962674, CU220 Beta-secretase 1 Homo sapiens 2600 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554633 252149222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287663 COCOc1c(O)cccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C21H20O6/c1-26-14-27-21-16(3-2-4-20(21)25)8-12-19(24)13-18(23)11-7-15-5-9-17(22)10-6-15/h2-12,22,25H,13-14H2,1H3/b11-7+,12-8+ PICKMZKKETZPOJ-MKICQXMISA-N 149267 US8962674, CU247 Beta-secretase 1 Homo sapiens 2400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68552305 252149223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287664 COc1cccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1O InChI=1S/C20H18O5/c1-25-19-4-2-3-15(20(19)24)8-12-18(23)13-17(22)11-7-14-5-9-16(21)10-6-14/h2-12,21,24H,13H2,1H3/b11-7+,12-8+ JGJFZIPUUKXTKB-MKICQXMISA-N 149268 US8962674, CU249 Beta-secretase 1 Homo sapiens 750 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553876 252149224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287665 COc1ccc(O)c(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1 InChI=1S/C20H18O5/c1-25-19-10-11-20(24)15(12-19)5-9-18(23)13-17(22)8-4-14-2-6-16(21)7-3-14/h2-12,21,24H,13H2,1H3/b8-4+,9-5+ HSTGIZZUPNHZTE-KBXRYBNXSA-N 149269 US8962674, CU253 Beta-secretase 1 Homo sapiens 960 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554507 252149225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287666 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c(O)c1 InChI=1S/C21H20O6/c1-26-18-9-6-15(20(25)13-18)5-8-17(23)12-16(22)7-3-14-4-10-19(24)21(11-14)27-2/h3-11,13,24-25H,12H2,1-2H3/b7-3+,8-5+ MGCSSXJISHHDFW-IUMFQGNOSA-N 149270 US8962674, CU256 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68556083 252149226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287667 COCOc1cccc(O)c1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)c(OC)c1 InChI=1S/C22H22O7/c1-27-14-29-21-5-3-4-19(25)18(21)10-9-17(24)13-16(23)8-6-15-7-11-20(26)22(12-15)28-2/h3-12,25-26H,13-14H2,1-2H3/b8-6+,10-9+ ARGRGNPDEVFUBI-QGHYKFKQSA-N 149271 US8962674, CU259::US8962674, CU315 Beta-secretase 1 Homo sapiens 980 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550569 252149227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287668 CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OCOC)c1 InChI=1S/C25H29NO5/c1-4-26(5-2)21-11-9-20(25(16-21)31-18-30-3)10-15-24(29)17-23(28)14-8-19-6-12-22(27)13-7-19/h6-16,27H,4-5,17-18H2,1-3H3/b14-8+,15-10+ VERJNQNFDMVHQD-UYSZGSBFSA-N 149272 US8962674, CU261 Beta-secretase 1 Homo sapiens 2000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68552486 252149228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287669 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2c(O)cccc2OC)ccc1O InChI=1S/C21H20O6/c1-26-20-5-3-4-18(24)17(20)10-9-16(23)13-15(22)8-6-14-7-11-19(25)21(12-14)27-2/h3-12,24-25H,13H2,1-2H3/b8-6+,10-9+ IKVGHBBJEXRQMQ-QGHYKFKQSA-N 149273 US8962674, CU279 Beta-secretase 1 Homo sapiens 1400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551830 252149229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287670 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c(O)cccc2OC)cc1O InChI=1S/C21H20O6/c1-26-20-5-3-4-18(24)17(20)10-9-16(23)13-15(22)8-6-14-7-11-21(27-2)19(25)12-14/h3-12,24-25H,13H2,1-2H3/b8-6+,10-9+ OJPJGGALSXXASL-QGHYKFKQSA-N 149274 US8962674, CU280 Beta-secretase 1 Homo sapiens 1400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68552536 252149230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287671 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(Cl)cc(Cl)c2O)cc1 InChI=1S/C19H14Cl2O4/c20-14-9-13(19(25)18(21)10-14)4-8-17(24)11-16(23)7-3-12-1-5-15(22)6-2-12/h1-10,22,25H,11H2/b7-3+,8-4+ CCNMLGBYBYBMTO-FCXRPNKRSA-N 149275 US8962674, CU281 Beta-secretase 1 Homo sapiens 9900 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550462 252149231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287672 COCOc1cccc(O)c1\C=C\C(=O)CC(=O)\C=C\c1ccc(OC)c(O)c1 InChI=1S/C22H22O7/c1-27-14-29-21-5-3-4-19(25)18(21)10-9-17(24)13-16(23)8-6-15-7-11-22(28-2)20(26)12-15/h3-12,25-26H,13-14H2,1-2H3/b8-6+,10-9+ WZGHSOHXNGEAGB-QGHYKFKQSA-N 149276 US8962674, CU313 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553819 252149232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287673 COCOc1cccc(O)c1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)c(OC)c1 InChI=1S/C22H22O7/c1-27-14-29-21-5-3-4-19(25)18(21)10-9-17(24)13-16(23)8-6-15-7-11-20(26)22(12-15)28-2/h3-12,25-26H,13-14H2,1-2H3/b8-6+,10-9+ ARGRGNPDEVFUBI-QGHYKFKQSA-N 149271 US8962674, CU259::US8962674, CU315 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550569 252149227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287674 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc3cccnc23)cc1 InChI=1S/C22H17NO3/c24-19-10-6-16(7-11-19)8-12-20(25)15-21(26)13-9-18-4-1-3-17-5-2-14-23-22(17)18/h1-14,24H,15H2/b12-8+,13-9+ YDBYSKAPFXBHFB-QHKWOANTSA-N 149278 US8962674, CU323 Beta-secretase 1 Homo sapiens 2000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550276 252149233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287675 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 InChI=1S/C28H23NO3/c30-24-14-10-21(11-15-24)12-16-25(31)18-26(32)17-13-23-20-29(19-22-6-2-1-3-7-22)28-9-5-4-8-27(23)28/h1-17,20,30H,18-19H2/b16-12+,17-13+ CNIAUYCZKVMECC-UNZYHPAISA-N 149279 US8962674, CU331 Beta-secretase 1 Homo sapiens 2300 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554906 252149234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287676 COc1cc(O)cc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)cc(OC)c2)c1 InChI=1S/C21H20O6/c1-26-20-9-14(7-18(24)12-20)3-5-16(22)11-17(23)6-4-15-8-19(25)13-21(10-15)27-2/h3-10,12-13,24-25H,11H2,1-2H3/b5-3+,6-4+ ILJNPILUGMWAKM-GGWOSOGESA-N 149280 US8962674, CU358 Beta-secretase 1 Homo sapiens 480 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46932298 252149235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287677 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)c(Cl)c1 InChI=1S/C19H14Cl2O4/c20-18-10-16(24)7-3-12(18)1-5-14(22)9-15(23)6-2-13-4-8-17(25)11-19(13)21/h1-8,10-11,24-25H,9H2/b5-1+,6-2+ LEIBEBCJYQSAOW-IJIVKGSJSA-N 149281 US8962674, CU362 Beta-secretase 1 Homo sapiens 720 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106823 252149236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287678 COc1ccc(O)cc1\C=C\C(=O)CC(=O)\C=C\c1cc(O)ccc1OC InChI=1S/C21H20O6/c1-26-20-9-7-16(22)11-14(20)3-5-18(24)13-19(25)6-4-15-12-17(23)8-10-21(15)27-2/h3-12,22-23H,13H2,1-2H3/b5-3+,6-4+ PSYRZINUSXCTMZ-GGWOSOGESA-N 149282 US8962674, CU380 Beta-secretase 1 Homo sapiens 1600 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553913 252149237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287679 Oc1ccc(c(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)c1)[N+]([O-])=O InChI=1S/C19H14N2O8/c22-14-5-7-18(20(26)27)12(9-14)1-3-16(24)11-17(25)4-2-13-10-15(23)6-8-19(13)21(28)29/h1-10,22-23H,11H2/b3-1+,4-2+ REOJVSQKHBGBSF-ZPUQHVIOSA-N 149283 US8962674, CU381 Beta-secretase 1 Homo sapiens 790 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87271514 252149238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287680 O=C(CC(=O)\C=C\c1cccc2cc[nH]c12)\C=C\c1cccc2cc[nH]c12 InChI=1S/C23H18N2O2/c26-20(9-7-16-3-1-5-18-11-13-24-22(16)18)15-21(27)10-8-17-4-2-6-19-12-14-25-23(17)19/h1-14,24-25H,15H2/b9-7+,10-8+ MNPGYISOQQVMOR-FIFLTTCUSA-N 149284 US8962674, CU392 Beta-secretase 1 Homo sapiens 940 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554890 252149239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287681 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3ccn(Cc4ccccc4)c3c2)cc1 InChI=1S/C28H23NO3/c30-25-12-7-21(8-13-25)9-14-26(31)19-27(32)15-10-22-6-11-24-16-17-29(28(24)18-22)20-23-4-2-1-3-5-23/h1-18,30H,19-20H2/b14-9+,15-10+ XELVJQJHDQVRLT-AOEKMSOUSA-N 149285 US8962674, CU400 Beta-secretase 1 Homo sapiens 920 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68549465 252149240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287682 CS(=O)(=O)n1ccc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(O)cc3)cc12 InChI=1S/C22H19NO5S/c1-29(27,28)23-13-12-18-7-2-17(14-22(18)23)6-11-21(26)15-20(25)10-5-16-3-8-19(24)9-4-16/h2-14,24H,15H2,1H3/b10-5+,11-6+ UCVVXGHXXUPIKF-YOYBCKCWSA-N 149286 US8962674, CU402 Beta-secretase 1 Homo sapiens 3300 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550724 252149241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287683 CC(C)(C)[Si](C)(C)OCc1ccccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C26H32O4Si/c1-26(2,3)31(4,5)30-19-22-9-7-6-8-21(22)13-17-25(29)18-24(28)16-12-20-10-14-23(27)15-11-20/h6-17,27H,18-19H2,1-5H3/b16-12+,17-13+ DUBKTNGMEJDGSM-UNZYHPAISA-N 149287 US8962674, CU418 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553381 252149242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287684 CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OCc2ccccc2)c1 InChI=1S/C30H31NO4/c1-3-31(4-2)26-15-13-25(30(20-26)35-22-24-8-6-5-7-9-24)14-19-29(34)21-28(33)18-12-23-10-16-27(32)17-11-23/h5-20,32H,3-4,21-22H2,1-2H3/b18-12+,19-14+ FLVVJCHITSHYIB-IJNKXORISA-N 149288 US8962674, CU420 Beta-secretase 1 Homo sapiens 3400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551501 252149243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287685 N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc1 InChI=1S/C28H26N2O4/c29-27(18-22-4-2-1-3-5-22)28(34)30-23-12-6-20(7-13-23)10-16-25(32)19-26(33)17-11-21-8-14-24(31)15-9-21/h1-17,27,31H,18-19,29H2,(H,30,34)/b16-10+,17-11+/t27-/m0/s1 KZIYBPDIYZXERL-SVBMQFAGSA-N 149289 US8962674, CU422 Beta-secretase 1 Homo sapiens 2100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551274 252149244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287686 N[C@H](Cc1ccccc1)C(=O)Nc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc1 InChI=1S/C28H26N2O4/c29-27(18-22-4-2-1-3-5-22)28(34)30-23-12-6-20(7-13-23)10-16-25(32)19-26(33)17-11-21-8-14-24(31)15-9-21/h1-17,27,31H,18-19,29H2,(H,30,34)/b16-10+,17-11+/t27-/m1/s1 KZIYBPDIYZXERL-IETLPPTJSA-N 149290 US8962674, CU423 Beta-secretase 1 Homo sapiens 2200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553836 252149245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287687 CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OCC=C(C)C)c1 InChI=1S/C28H33NO4/c1-5-29(6-2)24-12-10-23(28(19-24)33-18-17-21(3)4)11-16-27(32)20-26(31)15-9-22-7-13-25(30)14-8-22/h7-17,19,30H,5-6,18,20H2,1-4H3/b15-9+,16-11+ FBTGLKCDIHTKIU-XGGJEREUSA-N 149291 US8962674, CU426 Beta-secretase 1 Homo sapiens 1000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554524 252149246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287688 CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OC(C)C)c1 InChI=1S/C26H31NO4/c1-5-27(6-2)22-12-10-21(26(17-22)31-19(3)4)11-16-25(30)18-24(29)15-9-20-7-13-23(28)14-8-20/h7-17,19,28H,5-6,18H2,1-4H3/b15-9+,16-11+ QRAQCLBRTICTBY-XGGJEREUSA-N 149292 US8962674, CU429 Beta-secretase 1 Homo sapiens 1100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68556124 252149247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287689 COCOc1ccc(OC)cc1\C=C\C(=O)CC(=O)\C=C\c1cc(OC)ccc1O InChI=1S/C23H24O7/c1-27-15-30-23-11-9-21(29-3)13-17(23)5-7-19(25)14-18(24)6-4-16-12-20(28-2)8-10-22(16)26/h4-13,26H,14-15H2,1-3H3/b6-4+,7-5+ IECWIPLKGWXFPW-YDFGWWAZSA-N 149293 US8962674, CU456 Beta-secretase 1 Homo sapiens 2200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68551594 252149248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287690 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3cccc([N+]([O-])=O)c23)cc1 InChI=1S/C21H16N2O5/c24-16-8-4-14(5-9-16)6-10-17(25)12-18(26)11-7-15-13-22-19-2-1-3-20(21(15)19)23(27)28/h1-11,13,22,24H,12H2/b10-6+,11-7+ XXBBRVQTZYXDGE-JMQWPVDRSA-N 149294 US8962674, CU461 Beta-secretase 1 Homo sapiens 830 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68547638 252149249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287691 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3cccc([N+]([O-])=O)c23)cc1O InChI=1S/C22H18N2O6/c1-30-21-10-6-14(11-20(21)27)5-8-16(25)12-17(26)9-7-15-13-23-18-3-2-4-19(22(15)18)24(28)29/h2-11,13,23,27H,12H2,1H3/b8-5+,9-7+ TXBZBYOJNYBQIT-OCIXRKKMSA-N 149295 US8962674, CU463 Beta-secretase 1 Homo sapiens 1400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68555325 252149250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287692 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(Br)c2)cc1 InChI=1S/C19H15BrO3/c20-16-3-1-2-15(12-16)7-11-19(23)13-18(22)10-6-14-4-8-17(21)9-5-14/h1-12,21H,13H2/b10-6+,11-7+ FOLHNAYHMDRVKR-JMQWPVDRSA-N 149296 US8962674, CU464 Beta-secretase 1 Homo sapiens 3100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68554085 252149251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287693 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(Cl)ccc2[N+]([O-])=O)cc1 InChI=1S/C19H14ClNO5/c20-15-5-10-19(21(25)26)14(11-15)4-9-18(24)12-17(23)8-3-13-1-6-16(22)7-2-13/h1-11,22H,12H2/b8-3+,9-4+ NXJZQHFOVXHXDQ-BQYBEJQRSA-N 149297 US8962674, CU465 Beta-secretase 1 Homo sapiens 1500 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107020 252149252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287694 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2C(F)(F)F)cc1 InChI=1S/C20H15F3O3/c21-20(22,23)19-4-2-1-3-15(19)8-12-18(26)13-17(25)11-7-14-5-9-16(24)10-6-14/h1-12,24H,13H2/b11-7+,12-8+ BMPYEAVRKUHLDI-MKICQXMISA-N 149298 US8962674, CU467 Beta-secretase 1 Homo sapiens 850 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106804 252149253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287695 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(F)cc(F)c2)cc1 InChI=1S/C19H14F2O3/c20-15-9-14(10-16(21)11-15)4-8-19(24)12-18(23)7-3-13-1-5-17(22)6-2-13/h1-11,22H,12H2/b7-3+,8-4+ CZVHQAOQTCONCU-FCXRPNKRSA-N 149299 US8962674, CU468 Beta-secretase 1 Homo sapiens 2300 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68555162 252149254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287696 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2-c2ccccc2)cc1 InChI=1S/C25H20O3/c26-22-14-10-19(11-15-22)12-16-23(27)18-24(28)17-13-21-8-4-5-9-25(21)20-6-2-1-3-7-20/h1-17,26H,18H2/b16-12+,17-13+ MFOGQDREEHBOAT-UNZYHPAISA-N 149300 US8962674, CU472 Beta-secretase 1 Homo sapiens 880 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106868 252149255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287697 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(ccc2F)C(F)(F)F)cc1 InChI=1S/C20H14F4O3/c21-19-10-5-15(20(22,23)24)11-14(19)4-9-18(27)12-17(26)8-3-13-1-6-16(25)7-2-13/h1-11,25H,12H2/b8-3+,9-4+ KWXARCJORAWAAU-BQYBEJQRSA-N 149301 US8962674, CU473 Beta-secretase 1 Homo sapiens 510 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106890 252149256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287698 CCCN(CCC)C(=O)c1cccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1 InChI=1S/C26H29NO4/c1-3-16-27(17-4-2)26(31)22-7-5-6-21(18-22)11-15-25(30)19-24(29)14-10-20-8-12-23(28)13-9-20/h5-15,18,28H,3-4,16-17,19H2,1-2H3/b14-10+,15-11+ WEKICTWJQJVXDX-WFYKWJGLSA-N 149302 US8962674, CU474 Beta-secretase 1 Homo sapiens 3300 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553166 252149257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287699 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OCc3ccccc3)ccc2[N+]([O-])=O)cc1 InChI=1S/C26H21NO6/c28-22-10-6-19(7-11-22)8-12-23(29)17-24(30)13-9-21-16-25(14-15-26(21)27(31)32)33-18-20-4-2-1-3-5-20/h1-16,28H,17-18H2/b12-8+,13-9+ KWNUURPTZKKESN-QHKWOANTSA-N 149303 US8962674, CU475 Beta-secretase 1 Homo sapiens 740 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538540 252149258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287700 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2[N+]([O-])=O)cc1 InChI=1S/C19H15NO5/c21-16-9-5-14(6-10-16)7-11-17(22)13-18(23)12-8-15-3-1-2-4-19(15)20(24)25/h1-12,21H,13H2/b11-7+,12-8+ AFPZPCPFQGQHQS-MKICQXMISA-N 149304 US8962674, CU477 Beta-secretase 1 Homo sapiens 1900 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107578 252149259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287701 COC(=O)c1ccccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C21H18O5/c1-26-21(25)20-5-3-2-4-16(20)9-13-19(24)14-18(23)12-8-15-6-10-17(22)11-7-15/h2-13,22H,14H2,1H3/b12-8+,13-9+ KFJLAXZSEQEHQY-QHKWOANTSA-N 149305 US8962674, CU478 Beta-secretase 1 Homo sapiens 1200 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106817 252149260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287702 COc1ccc(c(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1)[N+]([O-])=O InChI=1S/C20H17NO6/c1-27-19-10-11-20(21(25)26)15(12-19)5-9-18(24)13-17(23)8-4-14-2-6-16(22)7-3-14/h2-12,22H,13H2,1H3/b8-4+,9-5+ FYPYWIIJSKQRDW-KBXRYBNXSA-N 149306 US8962674, CU481 Beta-secretase 1 Homo sapiens 3400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106948 252149261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287703 CSc1ccccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C20H18O3S/c1-24-20-5-3-2-4-16(20)9-13-19(23)14-18(22)12-8-15-6-10-17(21)11-7-15/h2-13,21H,14H2,1H3/b12-8+,13-9+ CZFWIHKONHJRTP-QHKWOANTSA-N 149307 US8962674, CU484 Beta-secretase 1 Homo sapiens 950 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68547544 252149262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287704 Oc1ccc(cc1)C(CC(=O)CC(=O)C=C)c1ccc2cc[nH]c2c1 149308 US8962674, CU519 Beta-secretase 1 Homo sapiens 2400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68553117 252149263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287705 Oc1ccc(CCC(=O)CC(=O)\C=C\c2ccc3ccn(Cc4ccccc4)c3c2)cc1 InChI=1S/C28H25NO3/c30-25-12-7-21(8-13-25)9-14-26(31)19-27(32)15-10-22-6-11-24-16-17-29(28(24)18-22)20-23-4-2-1-3-5-23/h1-8,10-13,15-18,30H,9,14,19-20H2/b15-10+ CTXIJCIUFMEGDD-XNTDXEJSSA-N 149309 US8962674, CU520 Beta-secretase 1 Homo sapiens 610 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68550673 252149264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287706 Oc1ccc(CCC(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)cc1 InChI=1S/C19H17ClO4/c20-19-12-18(24)10-5-14(19)4-9-17(23)11-16(22)8-3-13-1-6-15(21)7-2-13/h1-2,4-7,9-10,12,21,24H,3,8,11H2/b9-4+ YWIYTAKOMPDGSS-RUDMXATFSA-N 149310 US8962674, CU522 Beta-secretase 1 Homo sapiens 1100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44538541 252149265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287707 CN(C)c1ccc(\C=C\C(=O)CC(=O)CCc2ccc(O)cc2)c(c1)[N+]([O-])=O InChI=1S/C21H22N2O5/c1-22(2)17-8-6-16(21(13-17)23(27)28)7-12-20(26)14-19(25)11-5-15-3-9-18(24)10-4-15/h3-4,6-10,12-13,24H,5,11,14H2,1-2H3/b12-7+ KNUJZIZTVHHKAP-KPKJPENVSA-N 149311 US8962674, CU523 Beta-secretase 1 Homo sapiens 2100 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106550 252149266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287708 CN(C)c1ccc(\C=C\C(=O)CC(=O)CCc2ccc(O)cc2)c(Cl)c1 InChI=1S/C21H22ClNO3/c1-23(2)17-8-6-16(21(22)13-17)7-12-20(26)14-19(25)11-5-15-3-9-18(24)10-4-15/h3-4,6-10,12-13,24H,5,11,14H2,1-2H3/b12-7+ SGRWDKZLVORVOI-KPKJPENVSA-N 149312 US8962674, CU524 Beta-secretase 1 Homo sapiens 2400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106375 252149267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287709 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2-c2ccccc2)cc1 InChI=1S/C25H20O4/c26-21-10-6-18(7-11-21)8-12-23(28)17-24(29)13-9-20-16-22(27)14-15-25(20)19-4-2-1-3-5-19/h1-16,26-27H,17H2/b12-8+,13-9+ XHHMSLLADJKPFN-QHKWOANTSA-N 149313 US8962674, CU526 Beta-secretase 1 Homo sapiens 1000 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107612 252149268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287710 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OCc3ccccc3)ccc2-c2ccccc2)cc1 InChI=1S/C32H26O4/c33-28-15-11-24(12-16-28)13-17-29(34)22-30(35)18-14-27-21-31(36-23-25-7-3-1-4-8-25)19-20-32(27)26-9-5-2-6-10-26/h1-21,33H,22-23H2/b17-13+,18-14+ VCPFQBNFLPFSHM-HBKJEHTGSA-N 149314 US8962674, CU527 Beta-secretase 1 Homo sapiens 480 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107468 252149269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287711 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2-c2cccc3ccccc23)cc1 InChI=1S/C29H22O3/c30-24-16-12-21(13-17-24)14-18-25(31)20-26(32)19-15-23-7-2-4-10-28(23)29-11-5-8-22-6-1-3-9-27(22)29/h1-19,30H,20H2/b18-14+,19-15+ SLEHZAYWOUGWKR-JSAVKQRWSA-N 149315 US8962674, CU528 Beta-secretase 1 Homo sapiens 490 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107708 252149270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287712 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2-c2ccc3ccccc3c2)cc1 InChI=1S/C29H22O3/c30-26-15-9-21(10-16-26)11-17-27(31)20-28(32)18-14-23-6-3-4-8-29(23)25-13-12-22-5-1-2-7-24(22)19-25/h1-19,30H,20H2/b17-11+,18-14+ TVCZJQJJKUPBCC-CBXDKUCNSA-N 149316 US8962674, CU529 Beta-secretase 1 Homo sapiens 2700 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107073 252149271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287713 Oc1ccc(CCC(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1 InChI=1S/C19H17NO6/c21-15-5-1-13(2-6-15)3-7-17(23)12-18(24)8-4-14-11-16(22)9-10-19(14)20(25)26/h1-2,4-6,8-11,21-22H,3,7,12H2/b8-4+ HYLYNRZZDOQOGG-XBXARRHUSA-N 149317 US8962674, CU530 Beta-secretase 1 Homo sapiens 600 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106877 252149272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287714 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OCc3ccccc3)ccc2Br)cc1 InChI=1S/C26H21BrO4/c27-26-15-14-25(31-18-20-4-2-1-3-5-20)16-21(26)9-13-24(30)17-23(29)12-8-19-6-10-22(28)11-7-19/h1-16,28H,17-18H2/b12-8+,13-9+ RDZGFQBKIIWYEF-QHKWOANTSA-N 149318 US8962674, CU531 Beta-secretase 1 Homo sapiens 370 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106991 252149273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287715 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2Br)cc1 InChI=1S/C19H15BrO4/c20-19-10-9-16(22)11-14(19)4-8-18(24)12-17(23)7-3-13-1-5-15(21)6-2-13/h1-11,21-22H,12H2/b7-3+,8-4+ ZXKPVAYRRKNSRG-FCXRPNKRSA-N 149319 US8962674, CU532 Beta-secretase 1 Homo sapiens 330 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107780 252149274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287716 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(Br)cc1O InChI=1S/C20H17BrO5/c1-26-20-10-14(18(21)12-19(20)25)5-9-17(24)11-16(23)8-4-13-2-6-15(22)7-3-13/h2-10,12,22,25H,11H2,1H3/b8-4+,9-5+ UMWZFOAWFXQZKP-KBXRYBNXSA-N 149320 US8962674, CU539 Beta-secretase 1 Homo sapiens 1400 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67107733 252149275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287717 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)c(Br)cc2Br)cc1 InChI=1S/C19H14Br2O4/c20-17-11-18(21)19(25)9-13(17)4-8-16(24)10-15(23)7-3-12-1-5-14(22)6-2-12/h1-9,11,22,25H,10H2/b7-3+,8-4+ GDZQCPDQCRBCKE-FCXRPNKRSA-N 149321 US8962674, CU544 Beta-secretase 1 Homo sapiens 870 4.5 37.00 C US Patent 10.7270/Q2QJ7G1J aid1800951 US8962674 Takahashi, T; Hijikuro, I; Sugimoto, H; Kihara, T; Shimmyo, Y; Niidome, T Tokyo Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67106654 252149276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287742 COc1cc(F)c2Oc3ccc(cc3C3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F InChI=1S/C23H15F2N5O2/c1-31-13-10-16-19(17(24)11-13)32-18-5-4-12(14-3-2-6-27-20(14)25)9-15(18)23(16)21-28-7-8-30(21)22(26)29-23/h2-11H,1H3,(H2,26,29) VNEGKSKZUFSXDG-UHFFFAOYSA-N 149346 US8962859, 11 Beta-secretase 1 Homo sapiens 9 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164215 252149301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287743 NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C27H15F3N6O/c28-20-12-16(14-5-7-32-22(29)13-14)11-19-23(20)37-21-4-3-15(17-2-1-6-33-24(17)30)10-18(21)27(19)25-34-8-9-36(25)26(31)35-27/h1-13H,(H2,31,35)/t27-/m0/s1 VTTLVOMLUUKPMB-MHZLTWQESA-N 149347 US8962859, 8A Beta-secretase 1 Homo sapiens 10 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164216 252149302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287744 NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C27H15F3N6O/c28-20-12-16(14-5-7-32-22(29)13-14)11-19-23(20)37-21-4-3-15(17-2-1-6-33-24(17)30)10-18(21)27(19)25-34-8-9-36(25)26(31)35-27/h1-13H,(H2,31,35)/t27-/m1/s1 VTTLVOMLUUKPMB-HHHXNRCGSA-N 149348 US8962859, 8B Beta-secretase 1 Homo sapiens 0.3 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164217 252149303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287745 NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C27H19F2N5O2/c28-21-13-17(16-3-2-10-35-14-16)12-20-23(21)36-22-6-5-15(18-4-1-7-31-24(18)29)11-19(22)27(20)25-32-8-9-34(25)26(30)33-27/h1,3-9,11-13H,2,10,14H2,(H2,30,33)/t27-/m1/s1 DQYWRLHJYCHMPT-HHHXNRCGSA-N 149349 US8962859, 12 Beta-secretase 1 Homo sapiens 23 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164321 252149304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287746 NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C27H19F2N5O2/c28-21-13-17(16-3-2-10-35-14-16)12-20-23(21)36-22-6-5-15(18-4-1-7-31-24(18)29)11-19(22)27(20)25-32-8-9-34(25)26(30)33-27/h1,3-9,11-13H,2,10,14H2,(H2,30,33)/t27-/m0/s1 DQYWRLHJYCHMPT-MHZLTWQESA-N 149350 US8962859, 13 Beta-secretase 1 Homo sapiens 0.4 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164322 252149305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287747 Cc1ccc(cc1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F InChI=1S/C29H19F2N5O/c1-16-4-6-17(7-5-16)19-14-22-25(23(30)15-19)37-24-9-8-18(20-3-2-10-33-26(20)31)13-21(24)29(22)27-34-11-12-36(27)28(32)35-29/h2-15H,1H3,(H2,32,35)/t29-/m1/s1 ZKCJVDNRTDFWSR-GDLZYMKVSA-N 149351 US8962859, 14 Beta-secretase 1 Homo sapiens 114 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164323 252149306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287748 Cc1ccc(cc1)-c1cc(F)c2Oc3ccc(cc3[C@]3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F InChI=1S/C29H19F2N5O/c1-16-4-6-17(7-5-16)19-14-22-25(23(30)15-19)37-24-9-8-18(20-3-2-10-33-26(20)31)13-21(24)29(22)27-34-11-12-36(27)28(32)35-29/h2-15H,1H3,(H2,32,35)/t29-/m0/s1 ZKCJVDNRTDFWSR-LJAQVGFWSA-N 149352 US8962859, 15 Beta-secretase 1 Homo sapiens 0.4 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60148466 252149307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287749 NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C26H20F2N6O2/c27-20-14-16(33-8-10-35-11-9-33)13-19-22(20)36-21-4-3-15(17-2-1-5-30-23(17)28)12-18(21)26(19)24-31-6-7-34(24)25(29)32-26/h1-7,12-14H,8-11H2,(H2,29,32)/t26-/m1/s1 OLMKWMUFWPWVRZ-AREMUKBSSA-N 149353 BDBM149355::US8962859, 9B Beta-secretase 1 Homo sapiens 0.7 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164324 252149308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287750 NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C26H20F2N6O2/c27-20-14-16(33-8-10-35-11-9-33)13-19-22(20)36-21-4-3-15(17-2-1-5-30-23(17)28)12-18(21)26(19)24-31-6-7-34(24)25(29)32-26/h1-7,12-14H,8-11H2,(H2,29,32)/t26-/m0/s1 OLMKWMUFWPWVRZ-SANMLTNESA-N 149354 US8962859, 9A Beta-secretase 1 Homo sapiens 189 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164325 252149309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287751 NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C26H20F2N6O2/c27-20-14-16(33-8-10-35-11-9-33)13-19-22(20)36-21-4-3-15(17-2-1-5-30-23(17)28)12-18(21)26(19)24-31-6-7-34(24)25(29)32-26/h1-7,12-14H,8-11H2,(H2,29,32)/t26-/m1/s1 OLMKWMUFWPWVRZ-AREMUKBSSA-N 149353 BDBM149355::US8962859, 9B Beta-secretase 1 Homo sapiens 0.6 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164324 252149308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287752 NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F InChI=1S/C27H20F4N6O/c28-20-14-16(36-9-5-26(30,31)6-10-36)13-19-22(20)38-21-4-3-15(17-2-1-7-33-23(17)29)12-18(21)27(19)24-34-8-11-37(24)25(32)35-27/h1-4,7-8,11-14H,5-6,9-10H2,(H2,32,35)/t27-/m0/s1 QCJMUUJSGJAWBM-MHZLTWQESA-N 149356 US8962859, 17 Beta-secretase 1 Homo sapiens 0.7 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164452 252149311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 287753 COc1cc(F)c2Oc3ccc(cc3[C@]3(N=C(N)N4CCCN=C34)c2c1)-c1cccnc1F InChI=1S/C24H19F2N5O2/c1-32-14-11-17-20(18(25)12-14)33-19-6-5-13(15-4-2-7-28-21(15)26)10-16(19)24(17)22-29-8-3-9-31(22)23(27)30-24/h2,4-7,10-12H,3,8-9H2,1H3,(H2,27,30)/t24-/m0/s1 NRCWGDBHISLYPV-DEOSSOPVSA-N 149357 US8962859, 10 Beta-secretase 1 Homo sapiens 22 4.2 US Patent 10.7270/Q2G15ZJZ aid1800953 US8962859 Epstein, O; White, R; Patel, VF; Human, JB Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68349144 252149312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288388 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1 InChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17) XPMGWHVEGYGUIQ-UHFFFAOYSA-N 149714 US8975415, RP1a::US8975415, RP1b::US9242973, RP1b Beta-secretase 1 Homo sapiens 73300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724291 252159259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288389 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1 InChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17) XPMGWHVEGYGUIQ-UHFFFAOYSA-N 149714 US8975415, RP1a::US8975415, RP1b::US9242973, RP1b Beta-secretase 1 Homo sapiens 138000 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724291 252159259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288390 NC1=NC2(CO1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C13H13BrN2O3/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16) LUQRVIKCMJFRLZ-UHFFFAOYSA-N 149716 US8975415, RP2::US9242973, RP2 Beta-secretase 1 Homo sapiens 59600 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724312 252159260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288391 NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 InChI=1S/C16H17BrN2O3/c17-10-2-3-12-11(6-10)16(9-21-13(18)19-16)14(7-20-8-14)15(22-12)4-1-5-15/h2-3,6H,1,4-5,7-9H2,(H2,18,19) RUGHZTZOMNIPQG-UHFFFAOYSA-N 149717 US8975415, RP3::US9242973, RP3 Beta-secretase 1 Homo sapiens 33800 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056000 252159261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288392 COCc1cnn(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H24N4O4/c1-26-10-14-8-23-25(9-14)15-3-4-17-16(7-15)21(13-28-18(22)24-21)19(11-27-12-19)20(29-17)5-2-6-20/h3-4,7-9H,2,5-6,10-13H2,1H3,(H2,22,24) NRTIHHVWKLDASP-UHFFFAOYSA-N 149718 US8975415, RP4::US9242973, RP4 Beta-secretase 1 Homo sapiens 12600 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055955 252159262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288393 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-17-24-20(11-26-17)15-6-13(14-7-22-12-23-8-14)2-3-16(15)27-19(4-1-5-19)18(20)9-25-10-18/h2-3,6-8,12H,1,4-5,9-11H2,(H2,21,24) APMDRJOSPMXZBV-UHFFFAOYSA-N 149719 US8975415, RP5::US9242973, RP5 Beta-secretase 1 Homo sapiens 1560 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246703 252159263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288394 CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-13(2)14(6-19-7-14)15(8-20-12(17)18-15)10-5-9(16)3-4-11(10)21-13/h3-5H,6-8H2,1-2H3,(H2,17,18) BFCFOLFRUMYREH-UHFFFAOYSA-N 149720 US8975415, RP6::US9242973, RP6 Beta-secretase 1 Homo sapiens 11700 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724229 252159264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288395 C[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14+/m1/s1 UGDRTDNGDMXMII-CLAHSXSESA-N 149721 US8975415, RP7a::US9242973, RP7a Beta-secretase 1 Homo sapiens 39000 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056182 252159265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288396 C[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14-/m0/s1 UGDRTDNGDMXMII-RTHLEPHNSA-N 149722 US8975415, RP7b::US9242973, RP7b Beta-secretase 1 Homo sapiens 39700 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056178 252159266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288397 CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18) UVKPJIHODHUWCZ-UHFFFAOYSA-N 149724 US8975415, RP9a::US8975415, RP9b::US9242973, RP9b Beta-secretase 1 Homo sapiens 17300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056181 252159268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288398 CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18) UVKPJIHODHUWCZ-UHFFFAOYSA-N 149724 US8975415, RP9a::US8975415, RP9b::US9242973, RP9b Beta-secretase 1 Homo sapiens 24400 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056181 252159268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288399 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCC1 InChI=1S/C14H15BrN2O2/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17) GOBYJQFUBCMBOX-UHFFFAOYSA-N 149723 US8975415, RP8::US9242973, RP8 Beta-secretase 1 Homo sapiens 61300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724233 252159267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288400 NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(7-11)17(10-22-14(19)20-17)15(8-21-9-15)16(23-13)5-1-2-6-16/h3-4,7H,1-2,5-6,8-10H2,(H2,19,20) DTJVAANWMRFEEX-UHFFFAOYSA-N 149726 US8975415, RP10::US9242973, RP10 Beta-secretase 1 Homo sapiens 7210 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056183 252159269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288401 CCCC1Oc2ccc(Br)cc2C2(COC(N)=C2)C11COC1 InChI=1S/C17H20BrNO3/c1-2-3-14-17(8-20-9-17)16(7-15(19)21-10-16)12-6-11(18)4-5-13(12)22-14/h4-7,14H,2-3,8-10,19H2,1H3 RUHVORVUASWLJD-UHFFFAOYSA-N 149727 US8975415, RP11a::US8975415, RP11b Beta-secretase 1 Homo sapiens 15600 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246704 252159270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288402 CCCC1Oc2ccc(Br)cc2C2(COC(N)=C2)C11COC1 InChI=1S/C17H20BrNO3/c1-2-3-14-17(8-20-9-17)16(7-15(19)21-10-16)12-6-11(18)4-5-13(12)22-14/h4-7,14H,2-3,8-10,19H2,1H3 RUHVORVUASWLJD-UHFFFAOYSA-N 149727 US8975415, RP11a::US8975415, RP11b Beta-secretase 1 Homo sapiens 17400 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246704 252159270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288403 NC1=NC2(CO1)c1cc(Br)ccc1OC(C1CC1)C21COC1 InChI=1S/C16H17BrN2O3/c17-10-3-4-12-11(5-10)16(8-21-14(18)19-16)15(6-20-7-15)13(22-12)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,19) YRMAWAYLQWOXON-UHFFFAOYSA-N 149729 US8975415, RP12a::US8975415, RP12b::US9242973, RP12b Beta-secretase 1 Homo sapiens 38700 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056179 252159271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288404 NC1=NC2(CO1)c1cc(Br)ccc1OC(C1CC1)C21COC1 InChI=1S/C16H17BrN2O3/c17-10-3-4-12-11(5-10)16(8-21-14(18)19-16)15(6-20-7-15)13(22-12)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,19) YRMAWAYLQWOXON-UHFFFAOYSA-N 149729 US8975415, RP12a::US8975415, RP12b::US9242973, RP12b Beta-secretase 1 Homo sapiens 81300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056179 252159271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288405 CC(C)CC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C17H21BrN2O3/c1-10(2)5-14-16(7-21-8-16)17(9-22-15(19)20-17)12-6-11(18)3-4-13(12)23-14/h3-4,6,10,14H,5,7-9H2,1-2H3,(H2,19,20) IPOLRKPSCVSOEO-UHFFFAOYSA-N 149731 US8975415, RP13a::US8975415, RP13b::US9242973, RP13b Beta-secretase 1 Homo sapiens 11100 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056180 252159272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288406 CC(C)CC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C17H21BrN2O3/c1-10(2)5-14-16(7-21-8-16)17(9-22-15(19)20-17)12-6-11(18)3-4-13(12)23-14/h3-4,6,10,14H,5,7-9H2,1-2H3,(H2,19,20) IPOLRKPSCVSOEO-UHFFFAOYSA-N 149731 US8975415, RP13a::US8975415, RP13b::US9242973, RP13b Beta-secretase 1 Homo sapiens 19300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056180 252159272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288407 NC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1 InChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22) AJTLYZUBENANLT-UHFFFAOYSA-N 149733 US8975415, RP14a::US8975415, RP14b::US9242973, RP14b Beta-secretase 1 Homo sapiens 19000 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056189 252159273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288408 NC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1 InChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22) AJTLYZUBENANLT-UHFFFAOYSA-N 149733 US8975415, RP14a::US8975415, RP14b::US9242973, RP14b Beta-secretase 1 Homo sapiens 44200 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056189 252159273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288409 NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 InChI=1S/C20H19BrN2O3/c21-14-6-7-16-15(9-14)20(12-25-18(22)23-20)19(10-24-11-19)17(26-16)8-13-4-2-1-3-5-13/h1-7,9,17H,8,10-12H2,(H2,22,23) GSLXZIRPXIIFQZ-UHFFFAOYSA-N 149735 US8975415, RP15a::US8975415, RP15b::US9242973, RP15b Beta-secretase 1 Homo sapiens 1720 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056190 252159274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288410 NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 InChI=1S/C20H19BrN2O3/c21-14-6-7-16-15(9-14)20(12-25-18(22)23-20)19(10-24-11-19)17(26-16)8-13-4-2-1-3-5-13/h1-7,9,17H,8,10-12H2,(H2,22,23) GSLXZIRPXIIFQZ-UHFFFAOYSA-N 149735 US8975415, RP15a::US8975415, RP15b::US9242973, RP15b Beta-secretase 1 Homo sapiens 1010 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056190 252159274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288411 NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(6-11)17(9-22-15(19)20-17)16(7-21-8-16)14(23-13)5-10-1-2-10/h3-4,6,10,14H,1-2,5,7-9H2,(H2,19,20) FKWYDOXONAHPDE-UHFFFAOYSA-N 149737 US8975415, RP16a::US8975415, RP16b::US9242973, RP16b Beta-secretase 1 Homo sapiens 9540 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056184 252159275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288412 NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(6-11)17(9-22-15(19)20-17)16(7-21-8-16)14(23-13)5-10-1-2-10/h3-4,6,10,14H,1-2,5,7-9H2,(H2,19,20) FKWYDOXONAHPDE-UHFFFAOYSA-N 149737 US8975415, RP16a::US8975415, RP16b::US9242973, RP16b Beta-secretase 1 Homo sapiens 4570 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056184 252159275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288413 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1 InChI=1S/C13H13BrN2O2/c14-8-1-2-10-9(5-8)13(7-18-11(15)16-13)12(3-4-12)6-17-10/h1-2,5H,3-4,6-7H2,(H2,15,16) PRFPBWPICIUVRO-UHFFFAOYSA-N 149739 US8975415, RP17::US9242973, RP17 Beta-secretase 1 Homo sapiens 30200 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724231 252159276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288414 NC1=NC2(CO1)c1cc(Br)c(F)cc1OCC21CC1 InChI=1S/C13H12BrFN2O2/c14-8-3-7-10(4-9(8)15)18-5-12(1-2-12)13(7)6-19-11(16)17-13/h3-4H,1-2,5-6H2,(H2,16,17) UFQBEFKDLIPXMN-UHFFFAOYSA-N 149740 US8975415, RP18::US9242973, RP18 Beta-secretase 1 Homo sapiens 41300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056191 252159277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288416 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncc(c1)C#C InChI=1S/C20H17N3O3/c1-2-13-5-15(8-22-7-13)14-3-4-17-16(6-14)20(12-26-18(21)23-20)19(11-25-17)9-24-10-19/h1,3-8H,9-12H2,(H2,21,23) DIRWESJSDUWFGE-UHFFFAOYSA-N 149745 US8975415, RP23::US9242973, RP23 Beta-secretase 1 Homo sapiens 519 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056186 252159282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288417 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)C1=CCOCC1 InChI=1S/C18H20N2O4/c19-16-20-18(11-24-16)14-7-13(12-3-5-21-6-4-12)1-2-15(14)23-10-17(18)8-22-9-17/h1-3,7H,4-6,8-11H2,(H2,19,20) URKSNHXMPKDXME-UHFFFAOYSA-N 149746 US8975415, RP24::US9242973, RP24 Beta-secretase 1 Homo sapiens 37900 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056188 252159283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288418 NC1=NC2(CO1)c1cc(Nc3ccccn3)ccc1OCC21COC1 InChI=1S/C18H18N4O3/c19-16-22-18(11-25-16)13-7-12(21-15-3-1-2-6-20-15)4-5-14(13)24-10-17(18)8-23-9-17/h1-7H,8-11H2,(H2,19,22)(H,20,21) DXFOQTNLMLHOLF-UHFFFAOYSA-N 149747 US8975415, RP25::US9242973, RP25 Beta-secretase 1 Homo sapiens 36900 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248992 252159284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288419 COc1cccnc1Nc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H20N4O4/c1-24-15-3-2-6-21-16(15)22-12-4-5-14-13(7-12)19(11-27-17(20)23-19)18(10-26-14)8-25-9-18/h2-7H,8-11H2,1H3,(H2,20,23)(H,21,22) ZEYHRDUCBSUMIM-UHFFFAOYSA-N 149748 US8975415, RP26::US9242973, RP26 Beta-secretase 1 Homo sapiens 3750 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056457 252159285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288420 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27) INWIVMOTHPFWNU-UHFFFAOYSA-N 149749 US8975415, 27::US9242973, 27 Beta-secretase 1 Homo sapiens 38.2 82.2 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548694 252159286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288421 CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H21FN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27) FSJTVQBTRXXXMC-UHFFFAOYSA-N 149750 US8975415, 28::US9242973, 28 Beta-secretase 1 Homo sapiens 117 154 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548695 252159287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288422 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1 InChI=1S/C19H16ClFN4O3/c20-10-5-13(21)15(23-7-10)16(26)24-11-1-2-14-12(6-11)19(9-28-17(22)25-19)18(3-4-18)8-27-14/h1-2,5-7H,3-4,8-9H2,(H2,22,25)(H,24,26) BAZZVTQQQIAGLD-UHFFFAOYSA-N 149751 US8975415, RP29::US9242973, RP29 Beta-secretase 1 Homo sapiens 240 276 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056150 252159288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288423 CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H20ClFN4O4/c1-19(2)20(8-29-9-20)21(10-30-18(24)27-21)13-6-12(3-4-15(13)31-19)26-17(28)16-14(23)5-11(22)7-25-16/h3-7H,8-10H2,1-2H3,(H2,24,27)(H,26,28) NNCFJTIUQAEALJ-UHFFFAOYSA-N 149752 US8975415, 30::US9242973, 30 Beta-secretase 1 Homo sapiens 51.5 97.5 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548696 252159289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288424 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 InChI=1S/C19H17FN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25) SGURBDAGQXAXNV-UHFFFAOYSA-N 149753 US8975415, RP31::US9242973, RP31 Beta-secretase 1 Homo sapiens 1030 1060 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724294 252159290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288425 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 InChI=1S/C19H17ClN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25) ASXIBZVBBQRBMI-UHFFFAOYSA-N 149754 US8975415, RP32::US9242973, RP32 Beta-secretase 1 Homo sapiens 378 418 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056233 252159291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288426 COc1ccc(F)c(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H19FN2O4/c1-24-13-3-4-16(21)14(7-13)12-2-5-17-15(6-12)20(11-27-18(22)23-20)19(10-26-17)8-25-9-19/h2-7H,8-11H2,1H3,(H2,22,23) XONPOKBMDJXSSK-UHFFFAOYSA-N 149755 US8975415, RP33::US9242973, RP33 Beta-secretase 1 Homo sapiens 1520 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056442 252159292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288427 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cc(Cl)cnc1F InChI=1S/C18H15ClFN3O3/c19-11-4-12(15(20)22-5-11)10-1-2-14-13(3-10)18(9-26-16(21)23-18)17(8-25-14)6-24-7-17/h1-5H,6-9H2,(H2,21,23) OXWANDFSWNCOLM-UHFFFAOYSA-N 149756 US8975415, RP34::US9242973, RP34 Beta-secretase 1 Homo sapiens 1240 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246706 252159293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288428 COCCCc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C17H22N2O4/c1-20-6-2-3-12-4-5-14-13(7-12)17(11-23-15(18)19-17)16(10-22-14)8-21-9-16/h4-5,7H,2-3,6,8-11H2,1H3,(H2,18,19) VTWHTZBWARHXHY-UHFFFAOYSA-N 149757 US8975415, RP35::US9242973, RP35 Beta-secretase 1 Homo sapiens 26000 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056459 252159294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288429 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncnc1 InChI=1S/C17H16N4O3/c18-15-21-17(9-24-15)13-3-11(12-4-19-10-20-5-12)1-2-14(13)23-8-16(17)6-22-7-16/h1-5,10H,6-9H2,(H2,18,21) FIBKURPTGZJVGG-UHFFFAOYSA-N 149758 US8975415, RP36::US9242973, RP36 Beta-secretase 1 Homo sapiens 2900 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246707 252159295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288430 Cc1cccc(CCc2ccc3OCC4(COC4)C4(COC(N)=N4)c3c2)c1 InChI=1S/C22H24N2O3/c1-15-3-2-4-16(9-15)5-6-17-7-8-19-18(10-17)22(14-27-20(23)24-22)21(13-26-19)11-25-12-21/h2-4,7-10H,5-6,11-14H2,1H3,(H2,23,24) XXKXSECDGZWWRS-UHFFFAOYSA-N 149760 US8975415, RP38::US9242973, RP38 Beta-secretase 1 Homo sapiens 17300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056460 252159297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288431 NC1=NC2(c3cccc(F)c13)c1cc(Br)ccc1OCC21CC1 InChI=1S/C18H14BrFN2O/c19-10-4-5-14-12(8-10)18(17(6-7-17)9-23-14)11-2-1-3-13(20)15(11)16(21)22-18/h1-5,8H,6-7,9H2,(H2,21,22) QVWGEWNOPBCBAV-UHFFFAOYSA-N 149761 US8975415, RP40::US9242973, RP40 Beta-secretase 1 Homo sapiens 46900 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724297 252159298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288432 NC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C13H13BrN2O2S/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16) OIIKYZRXWBNXLG-UHFFFAOYSA-N 149762 US8975415, RP41::US9242973, RP41 Beta-secretase 1 Homo sapiens 24800 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724235 252159299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288433 CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O2S/c1-13(2)14(6-19-7-14)15(8-21-12(17)18-15)10-5-9(16)3-4-11(10)20-13/h3-5H,6-8H2,1-2H3,(H2,17,18) FXWBDJSWBRAHBD-UHFFFAOYSA-N 149763 US8975415, RP42::US9242973, RP42 Beta-secretase 1 Homo sapiens 16100 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056326 252159300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288434 NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 InChI=1S/C18H17ClN4O3/c19-13-2-1-5-21-15(13)22-11-3-4-14-12(6-11)18(10-26-16(20)23-18)17(9-25-14)7-24-8-17/h1-6H,7-10H2,(H2,20,23)(H,21,22) XNPBNQHTEMDPQV-UHFFFAOYSA-N 149764 US8975415, RP43::US9242973, RP43 Beta-secretase 1 Homo sapiens 1960 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724298 252159301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288435 NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OC1(CCC1)C21COC1 InChI=1S/C21H21ClN4O3/c22-15-3-1-8-24-17(15)25-13-4-5-16-14(9-13)21(12-28-18(23)26-21)19(10-27-11-19)20(29-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,23,26)(H,24,25) XYJZKZHKINNLPL-UHFFFAOYSA-N 149765 US8975415, RP44::US9242973, RP44 Beta-secretase 1 Homo sapiens 602 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056330 252159302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288436 COc1cccnc1Nc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H24N4O4/c1-27-17-4-2-9-24-18(17)25-14-5-6-16-15(10-14)22(13-29-19(23)26-22)20(11-28-12-20)21(30-16)7-3-8-21/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H2,23,26)(H,24,25) WWHBQSJSWHAQSI-UHFFFAOYSA-N 149766 US8975415, RP45::US9242973, RP45 Beta-secretase 1 Homo sapiens 1040 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056328 252159303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288437 CC(C)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H26N2O3/c1-13(2)8-14-4-5-16-15(9-14)20(12-24-17(21)22-20)18(10-23-11-18)19(25-16)6-3-7-19/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H2,21,22) DRTDEDKNDXQLDZ-UHFFFAOYSA-N 149767 US8975415, RP46::US9242973, RP46 Beta-secretase 1 Homo sapiens 8940 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724299 252159304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288438 CCC(CC)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H30N2O3/c1-3-15(4-2)10-16-6-7-18-17(11-16)22(14-26-19(23)24-22)20(12-25-13-20)21(27-18)8-5-9-21/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3,(H2,23,24) VCGSYVUVMWKNOH-UHFFFAOYSA-N 149768 US8975415, RP47::US9242973, RP47 Beta-secretase 1 Homo sapiens 2330 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056331 252159305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288439 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#CC1CC1 InChI=1S/C26H25N3O3/c27-23-29-26(16-31-23)21-11-19(20-10-18(12-28-13-20)5-4-17-2-3-17)6-7-22(21)32-25(8-1-9-25)24(26)14-30-15-24/h6-7,10-13,17H,1-3,8-9,14-16H2,(H2,27,29) QDLAPCDNFUGWBN-UHFFFAOYSA-N 149769 US8975415, RP48::US9242973, RP48 Beta-secretase 1 Homo sapiens 1130 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724301 252159306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288440 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 48600 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288441 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 137 172 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288442 CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24) ZKVKPYPCNDJJIH-UHFFFAOYSA-N 149772 US8975415, RP111::US8975415, RP52a::US9242973, RP111 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90016739 252159308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288443 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 123 157 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288444 CC1(C)Oc2ccc(cc2C2(CSC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O2S/c1-17(2)18(8-24-9-18)19(10-26-16(20)23-19)14-5-12(3-4-15(14)25-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) DGIBRPPLNYXLMV-UHFFFAOYSA-N 149774 US8975415, RP54::US9242973, RP54 Beta-secretase 1 Homo sapiens 406 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724304 252159310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288445 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(c1)C1CC1 InChI=1S/C21H21N3O2/c22-19-24-21(12-26-19)17-8-14(3-4-18(17)25-11-20(21)5-6-20)16-7-15(9-23-10-16)13-1-2-13/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,22,24) DFEWHEYFZREFMD-UHFFFAOYSA-N 149776 US8975415, RP57::US9242973, RP57 Beta-secretase 1 Homo sapiens 3690 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246708 252159312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288446 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)F)c1 InChI=1S/C20H18F3N3O3/c21-20(22,23)11-27-14-5-13(7-25-8-14)12-1-2-16-15(6-12)19(10-29-17(24)26-19)18(3-4-18)9-28-16/h1-2,5-8H,3-4,9-11H2,(H2,24,26) PBIVNBDJISSSOF-UHFFFAOYSA-N 149777 US8975415, RP58::US9242973, RP58 Beta-secretase 1 Homo sapiens 1480 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246709 252159313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288447 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)F)c1 InChI=1S/C20H19F2N3O3/c21-17(22)9-26-14-5-13(7-24-8-14)12-1-2-16-15(6-12)20(11-28-18(23)25-20)19(3-4-19)10-27-16/h1-2,5-8,17H,3-4,9-11H2,(H2,23,25) WQKBRYBBAYLSSQ-UHFFFAOYSA-N 149778 US8975415, RP59::US9242973, RP59 Beta-secretase 1 Homo sapiens 1110 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246710 252159314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288448 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OC(F)F)c1 InChI=1S/C19H17F2N3O3/c20-16(21)27-13-5-12(7-23-8-13)11-1-2-15-14(6-11)19(10-26-17(22)24-19)18(3-4-18)9-25-15/h1-2,5-8,16H,3-4,9-10H2,(H2,22,24) UNYXJDJEOAZPJZ-UHFFFAOYSA-N 149779 US8975415, RP60::US9242973, RP60 Beta-secretase 1 Homo sapiens 1480 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055135 252159315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288449 CCc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O2/c1-2-13-7-15(10-22-9-13)14-3-4-17-16(8-14)20(12-25-18(21)23-20)19(5-6-19)11-24-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23) ACFKJXYIJBZGDF-UHFFFAOYSA-N 149782 US8975415, RP63::US9242973, RP63 Beta-secretase 1 Homo sapiens 7900 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246712 252159318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288450 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)C(F)F)c1 InChI=1S/C21H19F4N3O3/c22-17(23)21(24,25)11-29-14-5-13(7-27-8-14)12-1-2-16-15(6-12)20(10-31-18(26)28-20)19(3-4-19)9-30-16/h1-2,5-8,17H,3-4,9-11H2,(H2,26,28) DSXZHBCAGPUTHY-UHFFFAOYSA-N 149783 US8975415, RP64::US9242973, RP64 Beta-secretase 1 Homo sapiens 6120 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246711 252159319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288451 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1 InChI=1S/C21H19N3O2S/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) SUTVFEFTMJCRDP-UHFFFAOYSA-N 149787 US8975415, RP68::US9242973, RP68 Beta-secretase 1 Homo sapiens 345 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246713 252159323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288452 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 397 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288453 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(F)c1 InChI=1S/C21H20FN3O3/c22-15-6-14(8-24-9-15)13-2-3-17-16(7-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-17)4-1-5-20/h2-3,6-9H,1,4-5,10-12H2,(H2,23,25) VKXZBNSASBAXPO-UHFFFAOYSA-N 149789 US8975415, RP70::US9242973, RP70 Beta-secretase 1 Homo sapiens 1750 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246714 252159324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288454 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1F InChI=1S/C21H20FN3O3/c22-17-14(3-1-8-24-17)13-4-5-16-15(9-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,23,25) MIWGEPYDEJPCPW-UHFFFAOYSA-N 149790 US8975415, RP71::US9242973, RP71 Beta-secretase 1 Homo sapiens 1080 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246716 252159325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288455 COc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O4/c1-26-16-7-15(9-24-10-16)14-3-4-18-17(8-14)22(13-28-19(23)25-22)20(11-27-12-20)21(29-18)5-2-6-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H2,23,25) OKGLRFINLNSCOR-UHFFFAOYSA-N 149791 US8975415, RP72::US9242973, RP72 Beta-secretase 1 Homo sapiens 817 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246715 252159326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288456 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(Cl)cnc1F InChI=1S/C21H19ClFN3O3/c22-13-7-14(17(23)25-8-13)12-2-3-16-15(6-12)21(11-28-18(24)26-21)19(9-27-10-19)20(29-16)4-1-5-20/h2-3,6-8H,1,4-5,9-11H2,(H2,24,26) AUJWOEBPSRCTTA-UHFFFAOYSA-N 149792 US8975415, RP73::US9242973, RP73 Beta-secretase 1 Homo sapiens 827 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056441 252159327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288457 Cc1ncccc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O3/c1-14-16(4-2-9-24-14)15-5-6-18-17(10-15)22(13-27-19(23)25-22)20(11-26-12-20)21(28-18)7-3-8-21/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H2,23,25) UJNYDVRLOOXJNH-UHFFFAOYSA-N 149793 US8975415, RP74::US9242973, RP74 Beta-secretase 1 Homo sapiens 35400 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246717 252159328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288458 Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O3/c1-14-7-16(10-24-9-14)15-3-4-18-17(8-15)22(13-27-19(23)25-22)20(11-26-12-20)21(28-18)5-2-6-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H2,23,25) XVSNEAWVASTHHT-UHFFFAOYSA-N 149794 US8975415, RP75::US9242973, RP75 Beta-secretase 1 Homo sapiens 3670 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025147 252159329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288459 Cc1cnnc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22N4O3/c1-13-7-16(25-23-9-13)14-3-4-17-15(8-14)21(12-27-18(22)24-21)19(10-26-11-19)20(28-17)5-2-6-20/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,22,24) CENZKPKDVOYGAD-UHFFFAOYSA-N 149795 US8975415, RP76::US9242973, RP76 Beta-secretase 1 Homo sapiens 13400 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246718 252159330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288460 C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C19H18FN3O3/c1-11-18(8-24-9-18)19(10-25-17(21)23-19)14-7-12(4-5-15(14)26-11)13-3-2-6-22-16(13)20/h2-7,11H,8-10H2,1H3,(H2,21,23)/t11-,19+/m1/s1 GBWBGGRZIJBHOV-WYRIXSBYSA-N 149796 US8975415, RP77::US9242973, RP77 Beta-secretase 1 Homo sapiens 1430 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246719 252159331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288461 C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C18H18N4O3/c1-11-17(7-23-8-17)18(9-24-16(19)22-18)14-4-12(2-3-15(14)25-11)13-5-20-10-21-6-13/h2-6,10-11H,7-9H2,1H3,(H2,19,22)/t11-,18+/m1/s1 VFWRHIJUHBWEBW-ZMZPIMSZSA-N 149797 US8975415, RP78::US9242973, RP78 Beta-secretase 1 Homo sapiens 2050 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056135 252159332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288462 C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C19H18FN3O3/c1-11-18(8-24-9-18)19(10-25-17(21)23-19)14-7-12(4-5-15(14)26-11)13-3-2-6-22-16(13)20/h2-7,11H,8-10H2,1H3,(H2,21,23)/t11-,19-/m0/s1 GBWBGGRZIJBHOV-WLRWDXFRSA-N 149798 US8975415, RP79::US9242973, RP79 Beta-secretase 1 Homo sapiens 1690 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056142 252159333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288463 C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C18H18N4O3/c1-11-17(7-23-8-17)18(9-24-16(19)22-18)14-4-12(2-3-15(14)25-11)13-5-20-10-21-6-13/h2-6,10-11H,7-9H2,1H3,(H2,19,22)/t11-,18-/m0/s1 VFWRHIJUHBWEBW-VOJFVSQTSA-N 149799 US8975415, RP80::US9242973, RP80 Beta-secretase 1 Homo sapiens 1910 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056134 252159334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288464 COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/m1/s1 FODVISLDJAALAH-ODXCJYRJSA-N 149800 US8975415, RP81::US9242973, RP81 Beta-secretase 1 Homo sapiens 1890 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246720 252159335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288465 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24) AVGCDLOTQSAMEY-UHFFFAOYSA-N 149801 US8975415, RP82::US9242973, RP82 Beta-secretase 1 Homo sapiens 348 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246721 252159336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288466 COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)16-7-13(4-5-17(16)28-19)14-6-15(25-3)9-23-8-14/h4-9H,10-12H2,1-3H3,(H2,22,24) IAWZSEUFAASPLV-UHFFFAOYSA-N 149802 US8975415, RP83::US9242973, RP83 Beta-secretase 1 Homo sapiens 255 285 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246722 252159337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288467 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-2-16-18(8-24-9-18)19(10-25-17(20)23-19)14-5-12(3-4-15(14)26-16)13-6-21-11-22-7-13/h3-7,11,16H,2,8-10H2,1H3,(H2,20,23) ZMBYVIVIUYRASD-UHFFFAOYSA-N 149803 US8975415, RP84::US8975415, RP87::US9242973, RP84 Beta-secretase 1 Homo sapiens 735 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246723 252159338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288468 NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-18-25-21(12-27-18)16-7-14(15-8-23-13-24-9-15)3-4-17(16)28-20(5-1-2-6-20)19(21)10-26-11-19/h3-4,7-9,13H,1-2,5-6,10-12H2,(H2,22,25) STXYCGOXMYPZGQ-UHFFFAOYSA-N 149804 US8975415, RP85::US9242973, RP85 Beta-secretase 1 Homo sapiens 319 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056138 252159339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288469 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC InChI=1S/C23H23N3O3/c1-3-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-21(24)26-23)22(12-27-13-22)20(4-2)29-19/h6-11,20H,4,12-14H2,1-2H3,(H2,24,26) YOCKQJMJWGYCKD-UHFFFAOYSA-N 149805 US8975415, RP86::US9242973, RP86 Beta-secretase 1 Homo sapiens 107 143 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246724 252159340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288470 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-2-16-18(8-24-9-18)19(10-25-17(20)23-19)14-5-12(3-4-15(14)26-16)13-6-21-11-22-7-13/h3-7,11,16H,2,8-10H2,1H3,(H2,20,23) ZMBYVIVIUYRASD-UHFFFAOYSA-N 149803 US8975415, RP84::US8975415, RP87::US9242973, RP84 Beta-secretase 1 Homo sapiens 1550 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246723 252159338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288471 NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-18-24-20(10-26-18)15-5-13(14-6-22-11-23-7-14)3-4-16(15)27-17(12-1-2-12)19(20)8-25-9-19/h3-7,11-12,17H,1-2,8-10H2,(H2,21,24) LHAFHTSWDCBCED-UHFFFAOYSA-N 149807 US8975415, RP88::US8975415, RP89::US9242973, RP89 Beta-secretase 1 Homo sapiens 2510 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056144 252159341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288472 NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-18-24-20(10-26-18)15-5-13(14-6-22-11-23-7-14)3-4-16(15)27-17(12-1-2-12)19(20)8-25-9-19/h3-7,11-12,17H,1-2,8-10H2,(H2,21,24) LHAFHTSWDCBCED-UHFFFAOYSA-N 149807 US8975415, RP88::US8975415, RP89::US9242973, RP89 Beta-secretase 1 Homo sapiens 4670 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056144 252159341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288473 CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C21H24N4O3/c1-13(2)5-18-20(9-26-10-20)21(11-27-19(22)25-21)16-6-14(3-4-17(16)28-18)15-7-23-12-24-8-15/h3-4,6-8,12-13,18H,5,9-11H2,1-2H3,(H2,22,25) QQPOTGIGKATGCB-UHFFFAOYSA-N 149809 US8975415, RP90::US8975415, RP93::US9242973, RP93 Beta-secretase 1 Homo sapiens 901 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246725 252159342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288474 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C20H22N4O3/c1-2-3-17-19(9-25-10-19)20(11-26-18(21)24-20)15-6-13(4-5-16(15)27-17)14-7-22-12-23-8-14/h4-8,12,17H,2-3,9-11H2,1H3,(H2,21,24) XGNRRAYBEHJJDH-UHFFFAOYSA-N 149810 US8975415, RP91::US8975415, RP94::US9242973, RP94 Beta-secretase 1 Homo sapiens 656 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056255 252159343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288475 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC InChI=1S/C24H25N3O3/c1-3-5-16-9-18(12-26-11-16)17-7-8-20-19(10-17)24(15-29-22(25)27-24)23(13-28-14-23)21(30-20)6-4-2/h7-12,21H,4,6,13-15H2,1-2H3,(H2,25,27) VKNCKYKSIFQAIK-UHFFFAOYSA-N 149811 US8975415, RP92::US9242973, RP92 Beta-secretase 1 Homo sapiens 87.9 124 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246726 252159344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288476 CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C21H24N4O3/c1-13(2)5-18-20(9-26-10-20)21(11-27-19(22)25-21)16-6-14(3-4-17(16)28-18)15-7-23-12-24-8-15/h3-4,6-8,12-13,18H,5,9-11H2,1-2H3,(H2,22,25) QQPOTGIGKATGCB-UHFFFAOYSA-N 149809 US8975415, RP90::US8975415, RP93::US9242973, RP93 Beta-secretase 1 Homo sapiens 629 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246725 252159342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288477 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C20H22N4O3/c1-2-3-17-19(9-25-10-19)20(11-26-18(21)24-20)15-6-13(4-5-16(15)27-17)14-7-22-12-23-8-14/h4-8,12,17H,2-3,9-11H2,1H3,(H2,21,24) XGNRRAYBEHJJDH-UHFFFAOYSA-N 149810 US8975415, RP91::US8975415, RP94::US9242973, RP94 Beta-secretase 1 Homo sapiens 862 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056255 252159343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288478 NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21CCC1)-c1cncnc1 InChI=1S/C21H21F3N4O2/c22-21(23,24)7-4-17-19(5-1-6-19)20(11-29-18(25)28-20)15-8-13(2-3-16(15)30-17)14-9-26-12-27-10-14/h2-3,8-10,12,17H,1,4-7,11H2,(H2,25,28) DSTJFWHEXWTHCF-UHFFFAOYSA-N 149814 US8975415, RP95 Beta-secretase 1 Homo sapiens 740 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246727 252159345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288479 CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H22F3N3O3/c1-2-3-15-8-17(11-29-10-15)16-4-5-19-18(9-16)23(14-32-21(28)30-23)22(12-31-13-22)20(33-19)6-7-24(25,26)27/h4-5,8-11,20H,6-7,12-14H2,1H3,(H2,28,30) LMEWGQSCAOBUKB-UHFFFAOYSA-N 149815 US8975415, RP96::US9242973, RP96 Beta-secretase 1 Homo sapiens 868 126 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246728 252159346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288480 NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 InChI=1S/C18H18N4O3/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-25-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) DMEXFXDUGPEWQS-UHFFFAOYSA-N 149816 US8975415, RP97::US8975415, RP98::US9242973, RP98 Beta-secretase 1 Homo sapiens 20200 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246729 252159347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288481 NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 InChI=1S/C18H18N4O3/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-25-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) DMEXFXDUGPEWQS-UHFFFAOYSA-N 149816 US8975415, RP97::US8975415, RP98::US9242973, RP98 Beta-secretase 1 Homo sapiens 64100 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246729 252159347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288482 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)(F)F InChI=1S/C22H20F3N3O3/c23-22(24,25)15-6-14(8-27-9-15)13-2-3-17-16(7-13)21(12-30-18(26)28-21)19(10-29-11-19)20(31-17)4-1-5-20/h2-3,6-9H,1,4-5,10-12H2,(H2,26,28) DNXRXHBBOSWKEH-UHFFFAOYSA-N 149818 US8975415, RP99::US9242973, RP99 Beta-secretase 1 Homo sapiens 2970 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056251 252159348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288483 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C17H16N4O2/c18-15-21-17(9-23-15)13-5-11(12-6-19-10-20-7-12)1-2-14(13)22-8-16(17)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,18,21) GQFYFTNDSLXGAN-UHFFFAOYSA-N 149819 US8975415, RP100::US9242973, RP100 Beta-secretase 1 Homo sapiens 2620 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056261 252159349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288484 NC1=NC2(CO1)c1cc(ccc1OCC21CCC1)-c1cncnc1 InChI=1S/C18H18N4O2/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) AOHYTTMQYWIGBI-UHFFFAOYSA-N 149820 US8975415, RP101::US9242973, RP101 Beta-secretase 1 Homo sapiens 7650 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056252 252159350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288485 NC1=NC2(CO1)c1cc(c(F)cc1OCC21CC1)-c1cncnc1 InChI=1S/C17H15FN4O2/c18-13-4-14-12(3-11(13)10-5-20-9-21-6-10)17(8-24-15(19)22-17)16(1-2-16)7-23-14/h3-6,9H,1-2,7-8H2,(H2,19,22) LZIPIZWOUYFZDB-UHFFFAOYSA-N 149821 US8975415, RP102::US9242973, RP102 Beta-secretase 1 Homo sapiens 1610 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056259 252159351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288486 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cccnc1F InChI=1S/C18H16FN3O2/c19-15-12(2-1-7-21-15)11-3-4-14-13(8-11)18(10-24-16(20)22-18)17(5-6-17)9-23-14/h1-4,7-8H,5-6,9-10H2,(H2,20,22) HAVSLFQSSPEGTD-UHFFFAOYSA-N 149822 US8975415, RP103::US9242973, RP103 Beta-secretase 1 Homo sapiens 2190 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056258 252159352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288487 COc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N3O3/c1-23-14-6-13(8-21-9-14)12-2-3-16-15(7-12)19(11-25-17(20)22-19)18(4-5-18)10-24-16/h2-3,6-9H,4-5,10-11H2,1H3,(H2,20,22) ZOGSWBUPTFGEHZ-UHFFFAOYSA-N 149824 US8975415, RP105::US9242973, RP105 Beta-secretase 1 Homo sapiens 2940 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056199 252159354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288488 CCOc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O3/c1-2-24-15-7-14(9-22-10-15)13-3-4-17-16(8-13)20(12-26-18(21)23-20)19(5-6-19)11-25-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23) ZBXSCAQSUCUQMO-UHFFFAOYSA-N 149825 US8975415, RP106::US9242973, RP106 Beta-secretase 1 Homo sapiens 1830 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246730 252159355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288415 COCC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H21N3O4/c1-26-6-2-3-15-7-17(10-24-9-15)16-4-5-19-18(8-16)22(14-29-20(23)25-22)21(13-28-19)11-27-12-21/h4-5,7-10H,6,11-14H2,1H3,(H2,23,25) UAKHLUDEERHAIR-UHFFFAOYSA-N 149741 US8975415, RP19::US9242973, RP19 Beta-secretase 1 Homo sapiens 2310 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724293 252159278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288489 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(Cl)c1 InChI=1S/C18H16ClN3O2/c19-13-5-12(7-21-8-13)11-1-2-15-14(6-11)18(10-24-16(20)22-18)17(3-4-17)9-23-15/h1-2,5-8H,3-4,9-10H2,(H2,20,22) WMZFHEUJJBBJRB-UHFFFAOYSA-N 149826 US8975415, RP107::US9242973, RP107 Beta-secretase 1 Homo sapiens 1060 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056194 252159356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288490 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 354 383 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288491 CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H23N3O3/c1-2-4-16-9-18(12-26-11-16)17-5-6-20-19(10-17)24(15-29-21(25)27-24)22(13-28-14-22)23(30-20)7-3-8-23/h5-6,9-12H,3,7-8,13-15H2,1H3,(H2,25,27) NPOSFNQEFRRESB-UHFFFAOYSA-N 149828 US8975415, RP109::US9242973, RP109 Beta-secretase 1 Homo sapiens 120 152 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246731 252159357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288492 CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23N3O3/c1-4-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-20(24)26-23)22(12-27-13-22)21(2,3)29-19/h6-11H,12-14H2,1-3H3,(H2,24,26) TWNMFZUXTQLPDM-UHFFFAOYSA-N 149829 US8975415, RP110::US9242973, RP110 Beta-secretase 1 Homo sapiens 90.4 137 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056237 252159358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288493 CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24) ZKVKPYPCNDJJIH-UHFFFAOYSA-N 149772 US8975415, RP111::US8975415, RP52a::US9242973, RP111 Beta-secretase 1 Homo sapiens 252 287 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90016739 252159308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288494 CC#Cc1cncc(c1)-c1cc2c(OCC3(CC3)C22COC(N)=N2)cc1F InChI=1S/C21H18FN3O2/c1-2-3-13-6-14(10-24-9-13)15-7-16-18(8-17(15)22)26-11-20(4-5-20)21(16)12-27-19(23)25-21/h6-10H,4-5,11-12H2,1H3,(H2,23,25) GYSSPZTVUHYMLA-UHFFFAOYSA-N 149831 US8975415, RP112::US9242973, RP112 Beta-secretase 1 Homo sapiens 400 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246732 252159359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288495 CC#Cc1cncc(c1)-c1ccc2OCC3(CCC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H21N3O2/c1-2-4-15-9-17(12-24-11-15)16-5-6-19-18(10-16)22(14-27-20(23)25-22)21(13-26-19)7-3-8-21/h5-6,9-12H,3,7-8,13-14H2,1H3,(H2,23,25) KFPPUCOTYZKISY-UHFFFAOYSA-N 149832 US8975415, RP113::US9242973, RP113 Beta-secretase 1 Homo sapiens 1110 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246733 252159360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288496 NC1=NC2(COC1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C14H15BrN2O3/c15-9-1-2-11-10(3-9)14(8-18-4-12(16)17-14)13(7-20-11)5-19-6-13/h1-3H,4-8H2,(H2,16,17) ZABSVJIMCNPJGL-UHFFFAOYSA-N 149833 US8975415, RP114::US9242973, RP114 Beta-secretase 1 Homo sapiens 68300 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056198 252159361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288497 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C#N InChI=1S/C22H20N4O3/c23-10-17-15(3-1-8-25-17)14-4-5-18-16(9-14)22(13-28-19(24)26-22)20(11-27-12-20)21(29-18)6-2-7-21/h1,3-5,8-9H,2,6-7,11-13H2,(H2,24,26) UGLJAYTUNCDFRY-UHFFFAOYSA-N 149834 US8975415, RP115::US9242973, RP115 Beta-secretase 1 Homo sapiens 3310 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025658 252159362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288498 Cc1cnc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H22FN3O3/c1-13-7-15(18(23)25-9-13)14-3-4-17-16(8-14)22(12-28-19(24)26-22)20(10-27-11-20)21(29-17)5-2-6-21/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,24,26) RUUFULDNAISCMR-UHFFFAOYSA-N 149835 US8975415, RP116::US9242973, RP116 Beta-secretase 1 Homo sapiens 1270 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90026778 252159363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288499 Cc1ncncc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22N4O3/c1-13-15(8-23-12-24-13)14-3-4-17-16(7-14)21(11-27-18(22)25-21)19(9-26-10-19)20(28-17)5-2-6-20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,22,25) ZNEBJRVYFYIQSP-UHFFFAOYSA-N 149836 US8975415, RP117::US9242973, RP117 Beta-secretase 1 Homo sapiens 4400 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246734 252159364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288500 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)F InChI=1S/C22H21F2N3O3/c23-18(24)15-6-14(8-26-9-15)13-2-3-17-16(7-13)22(12-29-19(25)27-22)20(10-28-11-20)21(30-17)4-1-5-21/h2-3,6-9,18H,1,4-5,10-12H2,(H2,25,27) HSUAECWUMSPRSF-UHFFFAOYSA-N 149837 US8975415, RP118::US9242973, RP118 Beta-secretase 1 Homo sapiens 1810 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056204 252159365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288501 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)nc1 InChI=1S/C21H20FN3O3/c22-17-5-3-14(9-24-17)13-2-4-16-15(8-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-16)6-1-7-20/h2-5,8-9H,1,6-7,10-12H2,(H2,23,25) FJDLAEVSDZQHMJ-UHFFFAOYSA-N 149838 US8975415, RP119::US9242973, RP119 Beta-secretase 1 Homo sapiens 3560 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056463 252159366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288502 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#N InChI=1S/C22H20N4O3/c23-8-14-6-16(10-25-9-14)15-2-3-18-17(7-15)22(13-28-19(24)26-22)20(11-27-12-20)21(29-18)4-1-5-21/h2-3,6-7,9-10H,1,4-5,11-13H2,(H2,24,26) CUTZXRZGKNKNJA-UHFFFAOYSA-N 149839 US8975415, RP120::US9242973, RP120 Beta-secretase 1 Homo sapiens 1890 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056445 252159367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288503 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)nc1F InChI=1S/C21H19F2N3O3/c22-16-5-3-13(17(23)25-16)12-2-4-15-14(8-12)21(11-28-18(24)26-21)19(9-27-10-19)20(29-15)6-1-7-20/h2-5,8H,1,6-7,9-11H2,(H2,24,26) GNSLGVRHWMTDBJ-UHFFFAOYSA-N 149840 US8975415, RP121::US9242973, RP121 Beta-secretase 1 Homo sapiens 3370 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246735 252159368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288504 COc1cc(c(F)cn1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H22FN3O4/c1-27-18-8-14(16(23)9-25-18)13-3-4-17-15(7-13)22(12-29-19(24)26-22)20(10-28-11-20)21(30-17)5-2-6-21/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,24,26) QBICDTPYZIJHTB-UHFFFAOYSA-N 149841 US8975415, RP122::US9242973, RP122 Beta-secretase 1 Homo sapiens 2740 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056454 252159369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288505 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccccc1 InChI=1S/C22H22N2O3/c23-19-24-22(14-26-19)17-11-16(15-5-2-1-3-6-15)7-8-18(17)27-21(9-4-10-21)20(22)12-25-13-20/h1-3,5-8,11H,4,9-10,12-14H2,(H2,23,24) OUSCSZCQKOULOD-UHFFFAOYSA-N 149842 US8975415, RP123::US9242973, RP123 Beta-secretase 1 Homo sapiens 3390 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056446 252159370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288506 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccccc1F InChI=1S/C22H21FN2O3/c23-17-5-2-1-4-15(17)14-6-7-18-16(10-14)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)8-3-9-21/h1-2,4-7,10H,3,8-9,11-13H2,(H2,24,25) PQPCAOQHCPZEDG-UHFFFAOYSA-N 149843 US8975415, RP124::US9242973, RP124 Beta-secretase 1 Homo sapiens 3590 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056474 252159371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288507 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1 InChI=1S/C22H21FN2O3/c23-16-4-1-3-14(9-16)15-5-6-18-17(10-15)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)7-2-8-21/h1,3-6,9-10H,2,7-8,11-13H2,(H2,24,25) AORINRZTSWKVOX-UHFFFAOYSA-N 149844 US8975415, RP125::US9242973, RP125 Beta-secretase 1 Homo sapiens 2310 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056447 252159372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288508 COc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24N2O4/c1-26-17-5-2-4-15(10-17)16-6-7-19-18(11-16)23(14-28-20(24)25-23)21(12-27-13-21)22(29-19)8-3-9-22/h2,4-7,10-11H,3,8-9,12-14H2,1H3,(H2,24,25) ICTGQWRYTVZEMV-UHFFFAOYSA-N 149845 US8975415, RP126::US9242973, RP126 Beta-secretase 1 Homo sapiens 696 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056489 252159373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288509 Cc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24N2O3/c1-15-4-2-5-16(10-15)17-6-7-19-18(11-17)23(14-27-20(24)25-23)21(12-26-13-21)22(28-19)8-3-9-22/h2,4-7,10-11H,3,8-9,12-14H2,1H3,(H2,24,25) JSKKJULDTHCLMY-UHFFFAOYSA-N 149846 US8975415, RP127::US9242973, RP127 Beta-secretase 1 Homo sapiens 2270 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056455 252159374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288510 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(c1)C#N InChI=1S/C23H21N3O3/c24-11-15-3-1-4-16(9-15)17-5-6-19-18(10-17)23(14-28-20(25)26-23)21(12-27-13-21)22(29-19)7-2-8-22/h1,3-6,9-10H,2,7-8,12-14H2,(H2,25,26) OSDCIYPOSBDCJI-UHFFFAOYSA-N 149847 US8975415, RP128::US9242973, RP128 Beta-secretase 1 Homo sapiens 1680 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056490 252159375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288511 CCOc1cc(cc(c1)C(F)(F)F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C25H25F3N2O4/c1-2-32-18-9-16(8-17(11-18)25(26,27)28)15-4-5-20-19(10-15)24(14-33-21(29)30-24)22(12-31-13-22)23(34-20)6-3-7-23/h4-5,8-11H,2-3,6-7,12-14H2,1H3,(H2,29,30) NPVLNYWBAKGQLZ-UHFFFAOYSA-N 149848 US8975415, RP129::US9242973, RP129 Beta-secretase 1 Homo sapiens 2210 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056448 252159376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288512 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(F)ccc1F InChI=1S/C22H20F2N2O3/c23-14-3-4-17(24)15(9-14)13-2-5-18-16(8-13)22(12-28-19(25)26-22)20(10-27-11-20)21(29-18)6-1-7-21/h2-5,8-9H,1,6-7,10-12H2,(H2,25,26) FJXRFMBYVGLNFX-UHFFFAOYSA-N 149849 US8975415, RP130::US9242973, RP130 Beta-secretase 1 Homo sapiens 1870 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056464 252159377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288513 CCOc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H26N2O4/c1-2-28-18-6-3-5-16(11-18)17-7-8-20-19(12-17)24(15-29-21(25)26-24)22(13-27-14-22)23(30-20)9-4-10-23/h3,5-8,11-12H,2,4,9-10,13-15H2,1H3,(H2,25,26) SRCMYQVGJCIJMT-UHFFFAOYSA-N 149850 US8975415, RP131::US9242973, RP131 Beta-secretase 1 Homo sapiens 2020 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246737 252159378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288514 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(\C=C\C#N)c1 InChI=1S/C25H23N3O3/c26-11-2-5-17-4-1-6-18(12-17)19-7-8-21-20(13-19)25(16-30-22(27)28-25)23(14-29-15-23)24(31-21)9-3-10-24/h1-2,4-8,12-13H,3,9-10,14-16H2,(H2,27,28)/b5-2+ HZHQWAJHXXVIFY-GORDUTHDSA-N 149851 US8975415, RP132::US9242973, RP132 Beta-secretase 1 Homo sapiens 2450 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056482 252159379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 288515 CCOc1cc(F)cc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H25FN2O4/c1-2-29-18-9-16(8-17(25)11-18)15-4-5-20-19(10-15)24(14-30-21(26)27-24)22(12-28-13-22)23(31-20)6-3-7-23/h4-5,8-11H,2-3,6-7,12-14H2,1H3,(H2,26,27) UJFGYZLSPBPCBC-UHFFFAOYSA-N 149852 US8975415, RP133::US9242973, RP133 Beta-secretase 1 Homo sapiens 1670 US Patent 10.7270/Q2SB44GN aid1800970 US8975415 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056483 252159380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297386 CC(C)COc1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1 InChI=1S/C21H29N3O2/c1-13(2)12-26-17-5-4-15-11-20(8-6-16(25)7-9-20)21(18(15)10-17)23-14(3)19(22)24-21/h4-5,10,13,16,25H,6-9,11-12H2,1-3H3,(H2,22,24)/t16-,20-,21-/m1/s1 GWDMNQZCWCEASB-MAODMQOUSA-N 155092 US9000182, 2, isomer 1 Beta-secretase 1 Homo sapiens 13 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703187 253652173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297387 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)(F)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H27F2N3O2/c1-13-18(24)26-21(25-13)17-10-16(28-12-19(2,22)23)5-4-14(17)11-20(21)8-6-15(27-3)7-9-20/h4-5,10,15H,6-9,11-12H2,1-3H3,(H2,24,26)/t15-,20-,21? ORAQMIPNVUWOJX-CITOCJSESA-N 155093 US9000182, 2, isomer 2 Beta-secretase 1 Homo sapiens >5000 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703188 253652174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297388 CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17? CLOXVWLCRWFUQF-OKHZSEBCSA-N 155094 US9000182, 3 Beta-secretase 1 Homo sapiens 6.7 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703400 253652175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297389 CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17-/m1/s1 CLOXVWLCRWFUQF-KBRIMQKVSA-N 155096 US9000182, 5, isomer 1 Beta-secretase 1 Homo sapiens 270 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703402 253652177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297390 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1 InChI=1S/C24H29N3O/c1-16-22(25)27-24(26-16)21-14-18(7-6-17-4-3-5-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h8-9,14,17,20H,3-5,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24? HZHGVFUZMFVSNM-MOOVDDBPSA-N 136879 US10231967, Example 112::US8865911, 112::US9000182, 5, isomer 2::US9918985, Example 112 Beta-secretase 1 Homo sapiens >4950 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979492 249813205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297391 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 InChI=1S/C24H29N3O/c1-16-22(25)27-24(26-16)21-14-18(7-6-17-4-3-5-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h8-9,14,17,20H,3-5,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24-/m0/s1 HZHGVFUZMFVSNM-OYDLWJJNSA-N 155097 US9000182, 6 Beta-secretase 1 Homo sapiens 4.2 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703403 253652178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297392 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 InChI=1S/C24H29N3O/c1-16-22(25)27-24(26-16)21-14-18(7-6-17-4-3-5-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h8-9,14,17,20H,3-5,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24-/m1/s1 HZHGVFUZMFVSNM-AGILITTLSA-N 155098 US9000182, 7, isomer 1 Beta-secretase 1 Homo sapiens 2.7 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703404 253652179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297393 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1 InChI=1S/C23H29N3O/c1-15(2)5-6-17-7-8-18-14-22(11-9-19(27-4)10-12-22)23(20(18)13-17)25-16(3)21(24)26-23/h7-8,13,15,19H,9-12,14H2,1-4H3,(H2,24,26)/t19-,22-,23? LWCYPSYNLAAESS-SCTJWGJOSA-N 136880 US10231967, Example 113::US8865911, 113::US9000182, 7, isomer 2::US9918985, Example 113 Beta-secretase 1 Homo sapiens 3600 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979560 249813206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297394 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 InChI=1S/C23H29N3O/c1-15(2)5-6-17-7-8-18-14-22(11-9-19(27-4)10-12-22)23(20(18)13-17)25-16(3)21(24)26-23/h7-8,13,15,19H,9-12,14H2,1-4H3,(H2,24,26)/t19-,22-,23-/m0/s1 LWCYPSYNLAAESS-VJBMBRPKSA-N 155099 US9000182, 8 Beta-secretase 1 Homo sapiens 4.7 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72694222 253652180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297395 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 InChI=1S/C23H29N3O/c1-15(2)5-6-17-7-8-18-14-22(11-9-19(27-4)10-12-22)23(20(18)13-17)25-16(3)21(24)26-23/h7-8,13,15,19H,9-12,14H2,1-4H3,(H2,24,26)/t19-,22-,23-/m1/s1 LWCYPSYNLAAESS-UEVCKROQSA-N 155100 US9000182, 9, isomer 1 Beta-secretase 1 Homo sapiens 1.1 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72704466 253652181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297396 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21? JJEORDNWHQBLEW-PRESFXJZSA-N 136761 US10231967, Example 20u::US8865911, 20u::US9000182, 10::US9918985, Example 20u Beta-secretase 1 Homo sapiens 530 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385878 249813087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297397 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21? JJEORDNWHQBLEW-PRESFXJZSA-N 136761 US10231967, Example 20u::US8865911, 20u::US9000182, 10::US9918985, Example 20u Beta-secretase 1 Homo sapiens 7.5 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385878 249813087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297398 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@@]22N=C(C)C(N)=N2)CC1 InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21-/m0/s1 JJEORDNWHQBLEW-ZRCAFCQKSA-N 155101 US9000182, 11, isomer 1 Beta-secretase 1 Homo sapiens 4.7 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72704467 253652182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297399 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@]22N=C(C)C(N)=N2)CC1 InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21-/m1/s1 JJEORDNWHQBLEW-QFIXIFRTSA-N 155102 US9000182, 11, isomer 2 Beta-secretase 1 Homo sapiens 1600 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72704468 253652183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297400 CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(28-10-2-9-22)4-3-14(17)12-20(21)7-5-15(6-8-20)29-19(23)24/h3-4,11,15,19H,2,5-10,12H2,1H3,(H2,25,27)/t15-,20-,21-/m0/s1 WOFHTRRBXQUHFJ-JHVJFLLYSA-N 155104 US9000182, 13, isomer 1 Beta-secretase 1 Homo sapiens 3 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703621 253652185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297401 CC1=N[C@@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(28-10-2-9-22)4-3-14(17)12-20(21)7-5-15(6-8-20)29-19(23)24/h3-4,11,15,19H,2,5-10,12H2,1H3,(H2,25,27)/t15-,20-,21-/m1/s1 WOFHTRRBXQUHFJ-IPHXSNPTSA-N 155105 US9000182, 13, isomer 2 Beta-secretase 1 Homo sapiens 2900 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703622 253652186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297402 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H28FN3O2/c1-13(22)12-27-17-5-4-15-11-20(8-6-16(26-3)7-9-20)21(18(15)10-17)24-14(2)19(23)25-21/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H2,23,25)/t13?,16-,20-,21? WEHAHFRWAHYPCU-MDIINWIOSA-N 155106 US9000182, 14 Beta-secretase 1 Homo sapiens 6.7 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703623 253652187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297403 CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N InChI=1S/C24H23ClN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11,20,30H,4-7,12H2,1H3,(H2,27,29)/t20-,23-,24-/m0/s1 MJQOUOQLEXOUFE-OYDLWJJNSA-N 155107 US9000182, 15, isomer 1 Beta-secretase 1 Homo sapiens 3.2 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703624 253652188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297404 CC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N InChI=1S/C24H23ClN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11,20,30H,4-7,12H2,1H3,(H2,27,29)/t20-,23-,24-/m1/s1 MJQOUOQLEXOUFE-AGILITTLSA-N 155108 US9000182, 15, isomer 2 Beta-secretase 1 Homo sapiens 780 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703625 253652189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297405 CC(C)O[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C20H26BrN3O/c1-12(2)25-16-6-8-19(9-7-16)11-14-4-5-15(21)10-17(14)20(19)23-13(3)18(22)24-20/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,22,24)/t16-,19-,20? VLZNLJRDFMUDDW-QHARRCRTSA-N 155109 US9000182, 16 Beta-secretase 1 Homo sapiens 3700 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703626 253652190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297406 CC(C)O[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H32FN3O2/c1-15(2)29-18-7-9-22(10-8-18)14-17-5-6-19(28-12-4-11-24)13-20(17)23(22)26-16(3)21(25)27-23/h5-6,13,15,18H,4,7-12,14H2,1-3H3,(H2,25,27)/t18-,22-,23? MNSXGYMIYOIUBX-VYNBAUGJSA-N 155110 US9000182, 17 Beta-secretase 1 Homo sapiens 250 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703821 253652191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297407 CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C22H31N3O2/c1-5-14(2)27-18-7-6-16-13-21(10-8-17(26-4)9-11-21)22(19(16)12-18)24-15(3)20(23)25-22/h6-7,12,14,17H,5,8-11,13H2,1-4H3,(H2,23,25)/t14-,17-,21-,22?/m1/s1 MTRPAEDXTYGACS-GQHMCPHGSA-N 155111 US9000182, 18 Beta-secretase 1 Homo sapiens 89 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91970944 253652192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297408 CO[C@H]1CC[C@@]2(Cc3ccc(O)cc3[C@@]22N=C(C)C(N)=N2)CC1 InChI=1S/C18H23N3O2/c1-11-16(19)21-18(20-11)15-9-13(22)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14,22H,5-8,10H2,1-2H3,(H2,19,21)/t14-,17-,18-/m0/s1 FUZQENPVBOMSKG-WBAXXEDZSA-N 155112 US9000182, 19 Beta-secretase 1 Homo sapiens 1300 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72703823 253652193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297409 CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 InChI=1S/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/m0/s1 NVGRJZRZTUKQGI-TUSQITKMSA-N 136833 US10231967, Example 73::US8865911, 73::US9000182, 21, isomer 1::US9918985, Example 73 Beta-secretase 1 Homo sapiens 1.3 2.5 US Patent 10.7270/Q2TH8KDP aid1801165 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979749 249813159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297410 CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1 InChI=1S/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/m1/s1 NVGRJZRZTUKQGI-NQHRYMMQSA-N 155114 US9000182, 21, isomer 2 Beta-secretase 1 Homo sapiens 6530 2.5 US Patent 10.7270/Q2TH8KDP aid1801164 US9000182 Karlstrom, S; Csjernyik, G; Swahn, B; Sandberg, L; Kolmodin, K; Soderman, P; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155114&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72704266 253652195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297427 CO[C@H]1CC[C@@]2(Cc3cc(C)c(Br)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C19H24BrN3O/c1-11-8-13-10-18(6-4-14(24-3)5-7-18)19(15(13)9-16(11)20)22-12(2)17(21)23-19/h8-9,14H,4-7,10H2,1-3H3,(H2,21,23)/t14-,18-,19? VDSZYBZSHLIORQ-FGWLZILTSA-N 155115 US9000183, 1 Beta-secretase 1 Homo sapiens 1659 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72704852 253652196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297428 CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C27H30N4O/c1-5-6-19-12-21(16-29-15-19)23-13-24-20(11-17(23)2)14-26(9-7-22(32-4)8-10-26)27(24)30-18(3)25(28)31-27/h11-13,15-16,22H,7-10,14H2,1-4H3,(H2,28,31)/t22-,26-,27? FGCFYPLYGHWAIM-JZGZJDTKSA-N 155116 US9000183, 2 Beta-secretase 1 Homo sapiens 15 2.5 US Patent 10.7270/Q2PR7TQD aid1801168 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155116&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705043 253652197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297429 CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)[N+]#[C-])CC1 InChI=1S/C26H27ClN4O/c1-15-9-18-14-25(7-5-21(32-4)6-8-25)26(30-16(2)24(28)31-26)23(18)13-22(15)17-10-19(27)12-20(11-17)29-3/h9-13,21H,5-8,14H2,1-2,4H3,(H2,28,31)/t21-,25-,26? USRBCCHTSUIKOF-AHQGXOPPSA-N 155117 US9000183, 3 Beta-secretase 1 Homo sapiens 24 2.5 US Patent 10.7270/Q2PR7TQD aid1801168 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91970945 253652198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297430 COC1CCC2(Cc3cc(F)c(Br)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C18H21BrFN3O/c1-10-16(21)23-18(22-10)13-8-14(19)15(20)7-11(13)9-17(18)5-3-12(24-2)4-6-17/h7-8,12H,3-6,9H2,1-2H3,(H2,21,23) WSDJYMPBPPNFDL-UHFFFAOYSA-N 155118 US9000183, 4 Beta-secretase 1 Homo sapiens 516 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705045 253652199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297431 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25? DDHXRMBHBIIYGG-SSEMJGATSA-N 155119 US9000183, 5 Beta-secretase 1 Homo sapiens 23 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705046 253652200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297432 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m0/s1 DDHXRMBHBIIYGG-LQGLAIQGSA-N 155120 US9000183, 6 Isomer 1 Beta-secretase 1 Homo sapiens 2.4 2.5 US Patent 10.7270/Q2PR7TQD aid1801168 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72694223 253652201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297433 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m1/s1 DDHXRMBHBIIYGG-UKDVSSAZSA-N 155121 US9000183, 6 Isomer 2 Beta-secretase 1 Homo sapiens >4300 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705047 253652202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297434 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 InChI=1S/C23H24ClFN4O/c1-13-21(26)29-23(28-13)19-9-18(15-7-16(24)12-27-11-15)20(25)8-14(19)10-22(23)5-3-17(30-2)4-6-22/h7-9,11-12,17H,3-6,10H2,1-2H3,(H2,26,29)/t17-,22-,23? RZBPWVNRIHVDBR-DRXONWLQSA-N 155122 US9000183, 7 Beta-secretase 1 Homo sapiens 36 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705048 253652203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297435 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H24F2N4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25? WNIDBJOQKWEFFV-SSEMJGATSA-N 155123 US9000183, 8 Beta-secretase 1 Homo sapiens 23 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705233 253652204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297436 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H24F2N4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m0/s1 WNIDBJOQKWEFFV-LQGLAIQGSA-N 155124 US9000183, 9 Isomer 1 Beta-secretase 1 Homo sapiens 13 2.5 US Patent 10.7270/Q2PR7TQD aid1801168 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705234 253652205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297437 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H24F2N4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m1/s1 WNIDBJOQKWEFFV-UKDVSSAZSA-N 155125 US9000183, 9 Isomer 2 Beta-secretase 1 Homo sapiens >5000 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705235 253652206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297438 CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C21H27F2N3O2/c1-13-19(24)26-21(25-13)16-11-18(28-9-3-8-22)17(23)10-14(16)12-20(21)6-4-15(27-2)5-7-20/h10-11,15H,3-9,12H2,1-2H3,(H2,24,26)/t15-,20-,21? ODVHFMITIRAYEO-CITOCJSESA-N 155126 US9000183, 10 Beta-secretase 1 Homo sapiens 39 2.5 US Patent 10.7270/Q2PR7TQD aid1801167 US9000183 Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705236 253652207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297448 CC1=NC2(N=C1N)c1cc(Br)ccc1CCC21CC1 InChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-8-11(16)3-2-10(12)4-5-14(15)6-7-14/h2-3,8H,4-7H2,1H3,(H2,17,19) HULILYYJZNMORD-UHFFFAOYSA-N 155127 US9000184, 1 Beta-secretase 1 Homo sapiens 4870 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714658 253652208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297449 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(c1)C#N InChI=1S/C22H19FN4/c1-13-20(25)27-22(26-13)19-11-16(17-8-14(12-24)9-18(23)10-17)3-2-15(19)4-5-21(22)6-7-21/h2-3,8-11H,4-7H2,1H3,(H2,25,27) MAUWSMJVVWTKNC-UHFFFAOYSA-N 155128 US9000184, 2 Beta-secretase 1 Homo sapiens 79 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714659 253652209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297450 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(F)c1 InChI=1S/C21H19F2N3/c1-12-19(24)26-21(25-12)18-10-14(15-8-16(22)11-17(23)9-15)3-2-13(18)4-5-20(21)6-7-20/h2-3,8-11H,4-7H2,1H3,(H2,24,26) OMBWPONBVQEDHK-UHFFFAOYSA-N 155129 US9000184, 3 Beta-secretase 1 Homo sapiens 130 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714744 253652210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297451 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cncc(Cl)c1 InChI=1S/C20H19ClN4/c1-12-18(22)25-20(24-12)17-9-14(15-8-16(21)11-23-10-15)3-2-13(17)4-5-19(20)6-7-19/h2-3,8-11H,4-7H2,1H3,(H2,22,25) BQEOVNOSRGLHCK-UHFFFAOYSA-N 155130 US9000184, 4 Beta-secretase 1 Homo sapiens 30 2.5 US Patent 10.7270/Q2K35SDQ aid1801171 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714745 253652211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297452 CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18-,19? HTWVAHYYWZCEOA-DUWYVTJWSA-N 155131 US9000184, 5, isomer 1 Beta-secretase 1 Homo sapiens 411 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714746 253652212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297453 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18+,19? HTWVAHYYWZCEOA-CVJHCREESA-N 155132 US9000184, 5, isomer 2 Beta-secretase 1 Homo sapiens 8920 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714746 253652213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297454 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26-,27? OOYVWTJLOZOKAU-JZGZJDTKSA-N 155133 US9000184, 6, isomer 1 Beta-secretase 1 Homo sapiens 5 2.5 US Patent 10.7270/Q2K35SDQ aid1801171 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714747 253652214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297455 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26+,27? OOYVWTJLOZOKAU-XQWKQLKFSA-N 155134 US9000184, 6, isomer 2 Beta-secretase 1 Homo sapiens 587 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714747 253652215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297456 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 InChI=1S/C24H27ClN4O/c1-15-22(26)29-24(28-15)21-12-17(18-11-19(25)14-27-13-18)4-3-16(21)5-8-23(24)9-6-20(30-2)7-10-23/h3-4,11-14,20H,5-10H2,1-2H3,(H2,26,29)/t20-,23-,24? PPPNFACLMPPXHQ-MOOVDDBPSA-N 155135 US9000184, 7, isomer 1 Beta-secretase 1 Homo sapiens 14 2.5 US Patent 10.7270/Q2K35SDQ aid1801171 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714841 253652216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297457 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 InChI=1S/C24H27ClN4O/c1-15-22(26)29-24(28-15)21-12-17(18-11-19(25)14-27-13-18)4-3-16(21)5-8-23(24)9-6-20(30-2)7-10-23/h3-4,11-14,20H,5-10H2,1-2H3,(H2,26,29)/t20-,23+,24? PPPNFACLMPPXHQ-KAKFBWPMSA-N 155136 US9000184, 7, isomer 2 Beta-secretase 1 Homo sapiens 333 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714841 253652217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297458 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26+,27? RMFCYJGEXZDLRL-BURQUNIDSA-N 155137 US9000184, 8, isomer 1 Beta-secretase 1 Homo sapiens 212 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714842 253652218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297459 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26-,27? RMFCYJGEXZDLRL-HAOYJSTOSA-N 155138 US9000184, 8, isomer 2 Beta-secretase 1 Homo sapiens 19 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714842 253652219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297460 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(Cl)cc(c1)C#N InChI=1S/C22H19ClN4/c1-13-20(25)27-22(26-13)19-11-16(17-8-14(12-24)9-18(23)10-17)3-2-15(19)4-5-21(22)6-7-21/h2-3,8-11H,4-7H2,1H3,(H2,25,27) PKBFNKHRNBOEGL-UHFFFAOYSA-N 155139 US9000184, 9 Beta-secretase 1 Homo sapiens 15 2.5 US Patent 10.7270/Q2K35SDQ aid1801171 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714843 253652220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297461 COC1CCC2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31) RDZDAKHZWXGMEB-UHFFFAOYSA-N 155140 US9000184, 10, isomer 1 Beta-secretase 1 Homo sapiens 5.7 2.5 US Patent 10.7270/Q2K35SDQ aid1801171 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714844 253652221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297462 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26? RDZDAKHZWXGMEB-HDVKRFLQSA-N 155141 US9000184, 10, isomer 2 Beta-secretase 1 Homo sapiens 392 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714844 253652222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297463 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25+,26? RDZDAKHZWXGMEB-FIXZJJGLSA-N 155142 US9000184, 11, isomer 1 Beta-secretase 1 Homo sapiens 3.6 2.5 US Patent 10.7270/Q2K35SDQ aid1801171 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72714844 253652223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297464 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26-/m0/s1 RDZDAKHZWXGMEB-HRNNMHKYSA-N 155143 US9000184, 11, isomer 2 Beta-secretase 1 Homo sapiens >5000 2.5 US Patent 10.7270/Q2K35SDQ aid1801170 US9000184 Karlstrom, S; Sandberg, L; Soderman, P; Kolmodin, K; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155143&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91970946 253652224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297479 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4(C)CC4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H31N3O2/c1-15-20(24)26-23(25-15)19-12-18(28-14-21(2)10-11-21)5-4-16(19)13-22(23)8-6-17(27-3)7-9-22/h4-5,12,17H,6-11,13-14H2,1-3H3,(H2,24,26)/t17-,22-,23? GSAVHMBMISQPPR-DRXONWLQSA-N 155144 US9000185, 1 Beta-secretase 1 Homo sapiens 18 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705386 253652225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297480 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H29F2N3O2/c1-14-20(26)28-23(27-14)19-9-18(30-13-15-10-22(24,25)11-15)4-3-16(19)12-21(23)7-5-17(29-2)6-8-21/h3-4,9,15,17H,5-8,10-13H2,1-2H3,(H2,26,28)/t17-,21-,23? MBVITGGTLKHHQT-DOQZHRMPSA-N 155145 US9000185, 2 Beta-secretase 1 Homo sapiens 50 2.5 US Patent 10.7270/Q2FB51QT aid1801173 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705388 253652226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297481 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22? DSCREMQTOOAGKC-JOECNLHFSA-N 155146 US9000185, 3 Beta-secretase 1 Homo sapiens 7.4 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705387 253652227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297482 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22-/m0/s1 DSCREMQTOOAGKC-HSQYWUDLSA-N 155147 US9000185, 4, isomer 1 Beta-secretase 1 Homo sapiens 3.7 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705389 253652228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297483 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(C)C(N)=N2)CC1 InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22-/m1/s1 DSCREMQTOOAGKC-ZPMCFJSWSA-N 155148 US9000185, 4, isomer 2 Beta-secretase 1 Homo sapiens >5000 2.5 US Patent 10.7270/Q2FB51QT aid1801173 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705390 253652229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297484 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4(F)F)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H27F2N3O2/c1-13-19(25)27-22(26-13)18-9-17(29-12-15-11-21(15,23)24)4-3-14(18)10-20(22)7-5-16(28-2)6-8-20/h3-4,9,15-16H,5-8,10-12H2,1-2H3,(H2,25,27)/t15?,16-,20-,22? QSYNDUROVMEDHR-NIQALVPASA-N 155149 US9000185, 5 Beta-secretase 1 Homo sapiens 13 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705391 253652230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297485 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-12-19(28-14-16-4-3-5-16)7-6-17(20)13-22(23)10-8-18(27-2)9-11-22/h6-7,12,16,18H,3-5,8-11,13-14H2,1-2H3,(H2,24,26)/t18-,22-,23? XWVPZETUJYENCA-VYNBAUGJSA-N 136898 US10231967, Example 126::US8865911, 126::US9000185, 6::US9918985, Example 126 Beta-secretase 1 Homo sapiens 6.1 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979441 249813224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297486 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-12-19(28-14-16-4-3-5-16)7-6-17(20)13-22(23)10-8-18(27-2)9-11-22/h6-7,12,16,18H,3-5,8-11,13-14H2,1-2H3,(H2,24,26)/t18-,22-,23-/m0/s1 XWVPZETUJYENCA-TZYHBYERSA-N 155150 US9000185, 7, isomer 1 Beta-secretase 1 Homo sapiens 4.5 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705573 253652231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297487 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3[C@]22N=C(C)C(N)=N2)CC1 InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-12-19(28-14-16-4-3-5-16)7-6-17(20)13-22(23)10-8-18(27-2)9-11-22/h6-7,12,16,18H,3-5,8-11,13-14H2,1-2H3,(H2,24,26)/t18-,22-,23-/m1/s1 XWVPZETUJYENCA-SXSPYAJSSA-N 155151 US9000185, 7, isomer 2 Beta-secretase 1 Homo sapiens >4900 2.5 US Patent 10.7270/Q2FB51QT aid1801173 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72705574 253652232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 297488 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-13-19(28-12-9-16-3-4-16)6-5-17(20)14-22(23)10-7-18(27-2)8-11-22/h5-6,13,16,18H,3-4,7-12,14H2,1-2H3,(H2,24,26)/t18-,22-,23? AGTQGRFUNIAYJX-VYNBAUGJSA-N 155152 US9000185, 8 Beta-secretase 1 Homo sapiens 3.7 2.5 US Patent 10.7270/Q2FB51QT aid1801174 US9000185 Karlstrom, S; Soderman, P; Swahn, B; Rakos, L; Ohberg, L AstraZeneca AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72694228 253652233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298703 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC(F)(F)F)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C22H25F3N4O2/c1-12-8-20(9-13(2)17(12)30)10-15-4-3-14(11-26)7-16(15)22(20)18(31)29(19(27)28-22)6-5-21(23,24)25/h3-4,7,12-13,17,30H,5-6,8-10H2,1-2H3,(H2,27,28)/t12-,13+,17+,20+,22-/m1/s1 TWOJWVVVMMLJCW-ZRTIADCHSA-N 156239 US9018391, 1 Beta-secretase 1 Homo sapiens 14.6 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331342 253681726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298704 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C23H29FN4O2/c1-13-8-22(9-14(2)18(13)29)10-16-6-5-15(11-25)7-17(16)23(22)19(30)28(20(26)27-23)12-21(3,4)24/h5-7,13-14,18,29H,8-10,12H2,1-4H3,(H2,26,27)/t13-,14+,18+,22+,23-/m1/s1 VLVUTDRUCRXHBN-MDGQXXJFSA-N 156240 US9018391, 2 Beta-secretase 1 Homo sapiens 10.3 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73211794 253681727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298705 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)Cl)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C23H29ClN4O2/c1-13-8-22(9-14(2)18(13)29)10-16-6-5-15(11-25)7-17(16)23(22)19(30)28(20(26)27-23)12-21(3,4)24/h5-7,13-14,18,29H,8-10,12H2,1-4H3,(H2,26,27)/t13-,14+,18+,22+,23-/m1/s1 SRXNJCQXRRUBGZ-MDGQXXJFSA-N 156241 US9018391, 3 Beta-secretase 1 Homo sapiens 3 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331343 253681728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298706 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C25H31FN4O3/c1-15-10-23(11-16(2)20(15)31)12-18-4-3-17(13-27)9-19(18)25(23)21(32)30(22(28)29-25)14-24(26)5-7-33-8-6-24/h3-4,9,15-16,20,31H,5-8,10-12,14H2,1-2H3,(H2,28,29)/t15-,16+,20+,23+,25-/m1/s1 TUGJCDOGUMSLMM-NHUVGBDHSA-N 156242 US9018391, 4 Beta-secretase 1 Homo sapiens 2.7 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331482 253681729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298707 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)-c2cncnc2)C[C@@H](C)[C@@H]1O InChI=1S/C26H32FN5O2/c1-15-8-25(9-16(2)21(15)33)10-18-6-5-17(19-11-29-14-30-12-19)7-20(18)26(25)22(34)32(23(28)31-26)13-24(3,4)27/h5-7,11-12,14-16,21,33H,8-10,13H2,1-4H3,(H2,28,31)/t15-,16+,21+,25+,26-/m1/s1 UPTWHSROTCVEQO-SZELWNNHSA-N 156243 US9018391, 5 Beta-secretase 1 Homo sapiens 2.6 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331483 253681730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298708 C[C@H]1C[C@]2(Cc3ccc(NC(=O)C(C)(C)F)cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C[C@@H](C)[C@@H]1O InChI=1S/C26H36F2N4O3/c1-14-10-25(11-15(2)19(14)33)12-16-7-8-17(30-20(34)24(5,6)28)9-18(16)26(25)21(35)32(22(29)31-26)13-23(3,4)27/h7-9,14-15,19,33H,10-13H2,1-6H3,(H2,29,31)(H,30,34)/t14-,15+,19+,25+,26-/m1/s1 QGNLVVVISIGVRU-BHNZZCGCSA-N 156244 US9018391, 6 Beta-secretase 1 Homo sapiens 6.3 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331484 253681731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298709 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1O InChI=1S/C24H31FN4O2/c1-5-16-10-23(9-14(2)19(16)30)11-17-7-6-15(12-26)8-18(17)24(23)20(31)29(21(27)28-24)13-22(3,4)25/h6-8,14,16,19,30H,5,9-11,13H2,1-4H3,(H2,27,28)/t14-,16+,19+,23+,24+/m0/s1 CYVYHQIMRSDPRE-HCEVFFAKSA-N 156245 US9018391, 7 Beta-secretase 1 Homo sapiens 3.4 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331485 253681732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298710 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@H](C)[C@H]1O InChI=1S/C25H32N4O4/c1-3-17-10-24(9-15(2)21(17)30)11-18-5-4-16(12-26)8-20(18)25(24)22(31)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15,17,19,21,30H,3,6-7,9-11,13-14H2,1-2H3,(H2,27,28)/t15-,17+,19?,21+,24+,25+/m0/s1 CFCBEKLZPVRDQH-RSAFGNCJSA-N 156246 US9018391, 8 Beta-secretase 1 Homo sapiens 1.9 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91973970 253681733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298711 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1O InChI=1S/C23H29FN4O2/c1-4-15-10-22(8-7-18(15)29)11-16-6-5-14(12-25)9-17(16)23(22)19(30)28(20(26)27-23)13-21(2,3)24/h5-6,9,15,18,29H,4,7-8,10-11,13H2,1-3H3,(H2,26,27)/t15-,18-,22-,23-/m1/s1 CRWWVVQFLSPPGQ-ZIFPLYCDSA-N 156247 US9018391, 9 Beta-secretase 1 Homo sapiens 10.7 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331622 253681734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298712 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC3)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C23H28N4O2/c1-13-8-22(9-14(2)19(13)28)10-17-6-5-16(11-24)7-18(17)23(22)20(29)27(21(25)26-23)12-15-3-4-15/h5-7,13-15,19,28H,3-4,8-10,12H2,1-2H3,(H2,25,26)/t13-,14+,19+,22+,23-/m1/s1 YRHPLXBMPRRLDA-PIXIMPLDSA-N 156248 US9018391, 10 Beta-secretase 1 Homo sapiens 10.6 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89981973 253681735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298713 C[C@H]1CC2(Cc3ccc(Cl)cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C[C@@H](C)[C@@H]1O InChI=1S/C23H26ClN5O2/c1-13-9-22(10-14(2)19(13)30)11-15-4-5-16(24)8-17(15)23(22)20(31)29(21(25)28-23)12-18-26-6-3-7-27-18/h3-8,13-14,19,30H,9-12H2,1-2H3,(H2,25,28)/t13-,14+,19+,22?,23-/m1/s1 BYZHLVABPPSOEX-GKSKJVGQSA-N 156249 US9018391, 11 Beta-secretase 1 Homo sapiens 14.6 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331624 253681736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298714 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)-c2cccnc2)CC[C@@H]1O InChI=1S/C27H28N6O2/c1-17-13-26(8-7-22(17)34)14-19-6-5-18(20-4-2-9-29-15-20)12-21(19)27(26)24(35)33(25(28)32-27)16-23-30-10-3-11-31-23/h2-6,9-12,15,17,22,34H,7-8,13-14,16H2,1H3,(H2,28,32)/t17-,22-,26-,27+/m0/s1 WFLMKRDUHUVWHW-OUSDSJFCSA-N 156250 US9018391, 12 Beta-secretase 1 Homo sapiens 6.8 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331625 253681737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298715 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC(F)(F)C3)C2=O)C#N)CC[C@@H]1O InChI=1S/C23H26F2N4O2/c1-13-7-21(5-4-18(13)30)10-16-3-2-14(11-26)6-17(16)23(21)19(31)29(20(27)28-23)12-15-8-22(24,25)9-15/h2-3,6,13,15,18,30H,4-5,7-10,12H2,1H3,(H2,27,28)/t13-,18-,21-,23+/m0/s1 KMTXZBNDTKKPKF-XGXQIODKSA-N 156251 US9018391, 13 Beta-secretase 1 Homo sapiens 8.7 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331626 253681738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298716 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC(F)(F)C3)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C24H28F2N4O2/c1-13-6-22(7-14(2)19(13)31)10-17-4-3-15(11-27)5-18(17)24(22)20(32)30(21(28)29-24)12-16-8-23(25,26)9-16/h3-5,13-14,16,19,31H,6-10,12H2,1-2H3,(H2,28,29)/t13-,14+,19+,22+,24-/m1/s1 CLTAABGQIHWOFE-WEVDWVSBSA-N 156252 US9018391, 14 Beta-secretase 1 Homo sapiens 4.5 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331627 253681739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298717 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCc3ccncc3)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C26H29N5O2/c1-16-12-25(13-17(2)22(16)32)14-20-4-3-19(15-27)11-21(20)26(25)23(33)31(24(28)30-26)10-7-18-5-8-29-9-6-18/h3-6,8-9,11,16-17,22,32H,7,10,12-14H2,1-2H3,(H2,28,30)/t16-,17+,22+,25+,26-/m1/s1 XTNFJJJRTDEBMX-WKOBYHNDSA-N 156253 US9018391, 15 Beta-secretase 1 Homo sapiens 9.7 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331766 253681740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 298718 C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccnc(C)c3)C2=O)C#N)C[C@@H](C)[C@@H]1O InChI=1S/C26H29N5O2/c1-15-10-25(11-16(2)22(15)32)12-20-5-4-18(13-27)9-21(20)26(25)23(33)31(24(28)30-26)14-19-6-7-29-17(3)8-19/h4-9,15-16,22,32H,10-12,14H2,1-3H3,(H2,28,30)/t15-,16+,22+,25+,26-/m1/s1 NGEOZBVZQJWSEI-SMGHKRRASA-N 156254 US9018391, 16 Beta-secretase 1 Homo sapiens 9.4 4.4 US Patent 10.7270/Q2QN65HR aid1801202 US9018391 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Dorner-Ciossek, C; Gross, U; Heine, N; Sauer, A Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73331767 253681741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294871 C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 BWTYDYXRZXMZEZ-IBGZPJMESA-N 153624 US8999980, I-1 Beta-secretase 1 Homo sapiens 47.3 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252202 253650743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294872 C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2/c1-10-8-18(2,24-17(21)26-10)13-7-12(4-5-14(13)20)23-16(25)15-6-3-11(19)9-22-15/h3-7,9H,1,8H2,2H3,(H2,21,24)(H,23,25)/t18-/m0/s1 CTSURZBMQUHOLJ-SFHVURJKSA-N 153625 US8999980, I-2 Beta-secretase 1 Homo sapiens 27 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252203 253650744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294873 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 54 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294874 NC1=N[C@](CCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1 ZQBDXEARYNLKKR-SFHVURJKSA-N 50432606 CHEMBL2347206::US8999980, I-53 Beta-secretase 1 Homo sapiens 46 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HQ 4J17 71112763 164161481 CHEMBL2347206 ZINC72315369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294875 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-8,10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LLUIVDBCIQNSNG-IBGZPJMESA-N 153632 US8999980, I-54 Beta-secretase 1 Homo sapiens 97 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252201 253650751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294876 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)OC(N)=N1 InChI=1S/C18H18FN5O3/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-6,8-9H,1,7H2,2-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 FSVBVNNRXBHMBO-SFHVURJKSA-N 153626 US8999980, I-3 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252204 253650745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294877 C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2FN4O2/c1-9-7-18(2,25-17(22)27-9)12-6-11(3-4-14(12)21)24-16(26)15-13(20)5-10(19)8-23-15/h3-6,8H,1,7H2,2H3,(H2,22,25)(H,24,26)/t18-/m0/s1 GENVKVISQDWGTR-SFHVURJKSA-N 153627 US8999980, I-4 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252366 253650746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294878 C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C18H15F3N4O2/c1-9-7-18(2,25-17(22)27-9)12-6-11(3-4-13(12)20)24-16(26)15-14(21)5-10(19)8-23-15/h3-6,8H,1,7H2,2H3,(H2,22,25)(H,24,26)/t18-/m0/s1 CLYZHKIRTRUBDR-SFHVURJKSA-N 153628 US8999980, I-5 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71502736 253650747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294879 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C18H16ClN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 JJPUCMHOFYLOJR-SFHVURJKSA-N 153629 US8999980, I-7 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91970503 253650748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294880 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O2/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 HIFMUVLULGJLTJ-KRWDZBQOSA-N 50432599 CHEMBL2347209::US8999980, I-8 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241151 164161474 CHEMBL2347209 ZINC95601757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294881 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H15Cl2FN4O2/c1-17(4-5-26-16(21)24-17)11-7-10(2-3-13(11)20)23-15(25)14-12(19)6-9(18)8-22-14/h2-3,6-8H,4-5H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1 CDNCNEWZGVRQRT-KRWDZBQOSA-N 50436849 CHEMBL2403768::US8999980, I-9 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50436849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50436849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241150 175449166 CHEMBL2403768 ZINC72315383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294882 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCOC(N)=N1 InChI=1S/C17H18FN5O3/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 RSGRPJAQVUZAJL-KRWDZBQOSA-N 153630 US8999980, I-10 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71502737 253650749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294883 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C17H15F3N4O2/c1-17(4-5-26-16(21)24-17)11-7-10(2-3-12(11)19)23-15(25)14-13(20)6-9(18)8-22-14/h2-3,6-8H,4-5H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1 IZBCKNKHQQAHJO-KRWDZBQOSA-N 153631 US8999980, I-11 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241660 253650750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294884 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CCOC(N)=N1 InChI=1S/C17H17N3OS/c1-3-4-12-7-13(10-19-9-12)14-8-15(22-11-14)17(2)5-6-21-16(18)20-17/h7-11H,5-6H2,1-2H3,(H2,18,20)/t17-/m0/s1 GERWFBQTRJTHQL-KRWDZBQOSA-N 153633 US8999980, I-55 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70914335 253650752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294885 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C18H15F3N4O2/c1-9-7-18(2,25-17(22)27-9)12-6-11(3-4-13(12)20)24-16(26)15-14(21)5-10(19)8-23-15/h3-8H,1-2H3,(H2,22,25)(H,24,26)/t18-/m0/s1 NLZUBTIPFTUSGV-SFHVURJKSA-N 153634 US8999980, I-56 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76072231 253650753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294886 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2/c1-10-8-18(2,24-17(21)26-10)13-7-12(4-5-14(13)20)23-16(25)15-6-3-11(19)9-22-15/h3-9H,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1 NDYOSWZGBZDOIR-SFHVURJKSA-N 153635 US8999980, I-57 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76072232 253650754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294887 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H16F4N4O2/c1-10-8-18(2,27-17(24)29-10)13-7-12(4-5-14(13)20)26-16(28)15-6-3-11(9-25-15)19(21,22)23/h3-9H,1-2H3,(H2,24,27)(H,26,28)/t18-/m0/s1 MXRKIUCDUKPYOL-SFHVURJKSA-N 153636 US8999980, I-58 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252369 253650755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294888 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(C)OC(N)=N1 InChI=1S/C18H18FN5O3/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 GCAKXJGHFCSCNC-SFHVURJKSA-N 153637 US8999980, I-59 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70914372 253650756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 294889 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F InChI=1S/C19H15F2N5O2/c1-10-7-19(2,26-18(23)28-10)13-6-12(3-4-14(13)20)25-17(27)16-15(21)5-11(8-22)9-24-16/h3-7,9H,1-2H3,(H2,23,26)(H,25,27)/t19-/m0/s1 QIGLYAWWYQUXSG-IBGZPJMESA-N 153638 US8999980, I-60 Beta-secretase 1 Homo sapiens <30000 5 30.00 C US Patent 10.7270/Q2XG9PW5 aid1801121 US8999980 Masui, M; Hori, A Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76072233 253650757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300563 NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H15F3N4O2S/c19-10-1-4-14(23-6-10)15(26)24-11-2-3-13(20)12(5-11)18-8-27-7-17(18,21)9-28-16(22)25-18/h1-6H,7-9H2,(H2,22,25)(H,24,26)/t17-,18-/m1/s1 MRASYTBAPDOTOR-QZTJIDSGSA-N 158177 US9029367, 1 Beta-secretase 1 Homo sapiens 15.6 4.6 25.00 C US Patent 10.7270/Q21Z4344 aid1801220 US9029367 Green, SJ; Hembre, EJ; Mergott, DJ; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 92044981 254815371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300564 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@@]1(F)CSC(N)=N2 InChI=1S/C18H17F2N5O3S/c1-27-14-6-22-13(5-23-14)15(26)24-10-2-3-12(19)11(4-10)18-8-28-7-17(18,20)9-29-16(21)25-18/h2-6H,7-9H2,1H3,(H2,21,25)(H,24,26)/t17-,18-/m1/s1 JSYVKXRJYDRXHY-QZTJIDSGSA-N 158178 US9029367, 2 Beta-secretase 1 Homo sapiens 13.2 4.6 25.00 C US Patent 10.7270/Q21Z4344 aid1801220 US9029367 Green, SJ; Hembre, EJ; Mergott, DJ; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 92044982 254815372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300565 NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C19H15F2N5O2S/c1-23-12-3-5-15(24-7-12)16(27)25-11-2-4-14(20)13(6-11)19-9-28-8-18(19,21)10-29-17(22)26-19/h2-7H,8-10H2,(H2,22,26)(H,25,27)/t18-,19-/m1/s1 QJFLRWYMEDCXIH-RTBURBONSA-N 158179 US9029367, 3 Beta-secretase 1 Homo sapiens 6.66 4.6 25.00 C US Patent 10.7270/Q21Z4344 aid1801220 US9029367 Green, SJ; Hembre, EJ; Mergott, DJ; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 92044983 254815373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300566 NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C19H15F2N5O3/c1-23-12-3-5-15(24-7-12)16(27)25-11-2-4-14(20)13(6-11)19-10-28-8-18(19,21)9-29-17(22)26-19/h2-7H,8-10H2,(H2,22,26)(H,25,27)/t18-,19-/m1/s1 DMJSMZBBMSPGKV-RTBURBONSA-N 158180 US9029367, 34 Beta-secretase 1 Homo sapiens 45 4.6 25.00 C US Patent 10.7270/Q21Z4344 aid1801220 US9029367 Green, SJ; Hembre, EJ; Mergott, DJ; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 92044984 254815374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300567 NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2cnc(OCC3(F)CC3)cn2)ccc1F InChI=1S/C21H20F3N5O4/c22-14-2-1-12(5-13(14)21-11-31-9-20(21,24)10-33-18(25)29-21)28-17(30)15-6-27-16(7-26-15)32-8-19(23)3-4-19/h1-2,5-7H,3-4,8-11H2,(H2,25,29)(H,28,30)/t20-,21-/m1/s1 AIXUDUAGMOAPNJ-NHCUHLMSSA-N 158181 US9029367, 57 Beta-secretase 1 Homo sapiens 25.7 4.6 25.00 C US Patent 10.7270/Q21Z4344 aid1801220 US9029367 Green, SJ; Hembre, EJ; Mergott, DJ; Shi, Y; Watson, BM; Winneroski, Jr., LL Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 92044985 254815375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300568 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens 0.949 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51039270 251971813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300569 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C18H17F4N5O3S/c1-17(9-31(29,30)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(28)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,28)/t17-/m0/s1 XBJQDMHXDUQMJV-KRWDZBQOSA-N 143219 US8940748, 26::US9029362, 26::US9687494, 26 Beta-secretase 1 Homo sapiens 1.261 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111677 251971814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300570 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 1.753 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300571 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1 QEDBRPQZTWTMTK-KRWDZBQOSA-N 143221 US8940748, 36::US9029362, 36::US9687494, 36 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51352402 251971816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300572 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H18F2N6O4S/c1-17(8-30(27,28)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(26)12-6-22-13(29-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,26)/t17-/m0/s1 QGPBROSNFKNVFL-KRWDZBQOSA-N 143222 US8940748, 40di::US9029362, 40di::US9687494, 40di Beta-secretase 1 Homo sapiens 1.05 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111419 251971817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300573 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F InChI=1S/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/m0/s1 LWWIOJQKELULTO-SFHVURJKSA-N 143223 US8940748, 35::US9029362, 35::US9687494, 35 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111335 251971818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300574 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 4.88 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300575 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C16H16N4O2S2/c1-16(10-24(21,22)20(2)15(18)19-16)14-7-13(9-23-14)12-5-3-4-11(6-12)8-17/h3-7,9H,10H2,1-2H3,(H2,18,19)/t16-/m0/s1 WRIHQAVUMDUZBP-INIZCTEOSA-N 143225 US8940748, 45::US9029362, 45::US9687494, 45 Beta-secretase 1 Homo sapiens 25.6 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111517 251971820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300576 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1ccc(F)c(c1)C#N InChI=1S/C16H15FN4O2S2/c1-16(9-25(22,23)21(2)15(19)20-16)14-6-12(8-24-14)10-3-4-13(17)11(5-10)7-18/h3-6,8H,9H2,1-2H3,(H2,19,20)/t16-/m0/s1 BRXXBTMKBTXEJJ-INIZCTEOSA-N 143226 US8940748, 46::US9029362, 46::US9687494, 46 Beta-secretase 1 Homo sapiens 46 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111513 251971821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300577 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1 VKVMIZCLMUKTTA-KRWDZBQOSA-N 143227 US8940748, 52::US9029362, 52::US9687494, 52 Beta-secretase 1 Homo sapiens 2.387 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66J 5HTZ 68111516 251971822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 300578 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H19FN6O4S/c1-17(9-29(26,27)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(25)13-7-21-14(28-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1 DJIXTIKKTNRBEW-KRWDZBQOSA-N 143228 US8940748, 40ai::US9029362, 40ai::US9687494, 40ai Beta-secretase 1 Homo sapiens 1.64 5 30.00 C US Patent 10.7270/Q2X63KP6 aid1801221 US9029362 Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111681 251971823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303925 COc1cc(F)c(cc1C#N)C12CO[C@@H](COCc3ccccc3)C[C@H]1CSC(N)=N2 InChI=1S/C23H24FN3O3S/c1-28-21-9-20(24)19(7-16(21)10-25)23-14-30-18(8-17(23)13-31-22(26)27-23)12-29-11-15-5-3-2-4-6-15/h2-7,9,17-18H,8,11-14H2,1H3,(H2,26,27)/t17-,18+,23?/m0/s1 MGERQPNRFSSESD-BSKKSYLPSA-N 160659 US9045498, 1 Beta-secretase 1 Homo sapiens 1220 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369126 295369475 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303926 NC1=NC2(CO[C@@H](COCc3ccccc3)C[C@H]2CS1)c1cc(C#N)c(F)cc1F InChI=1S/C22H21F2N3O2S/c23-19-8-20(24)18(6-15(19)9-25)22-13-29-17(7-16(22)12-30-21(26)27-22)11-28-10-14-4-2-1-3-5-14/h1-6,8,16-17H,7,10-13H2,(H2,26,27)/t16-,17+,22?/m0/s1 QWYYLSONPBZONE-NCHORFDRSA-N 160660 US9045498, 2 Beta-secretase 1 Homo sapiens 445 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369176 295369476 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303927 NC1=NC2(CO[C@@H](CO)C[C@H]2CS1)c1cc(C#N)c(F)cc1F InChI=1S/C15H15F2N3O2S/c16-12-3-13(17)11(1-8(12)4-18)15-7-22-10(5-21)2-9(15)6-23-14(19)20-15/h1,3,9-10,21H,2,5-7H2,(H2,19,20)/t9-,10+,15?/m0/s1 RPKSBZMBYPMVII-TZPSPIKVSA-N 160661 US9045498, 3 Beta-secretase 1 Homo sapiens 5550 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369121 295369477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303928 NC1=NC2(CO[C@@H](CF)C[C@H]2CS1)c1cc(C#N)c(F)cc1F InChI=1S/C15H14F3N3OS/c16-4-10-2-9-6-23-14(20)21-15(9,7-22-10)11-1-8(5-19)12(17)3-13(11)18/h1,3,9-10H,2,4,6-7H2,(H2,20,21)/t9-,10+,15?/m0/s1 LGJIPDMTLWEFJV-TZPSPIKVSA-N 160662 US9045498, 4 Beta-secretase 1 Homo sapiens 854 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369151 295369478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303929 COC[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(C#N)c(F)cc1F InChI=1S/C16H17F2N3O2S/c1-22-6-11-3-10-7-24-15(20)21-16(10,8-23-11)12-2-9(5-19)13(17)4-14(12)18/h2,4,10-11H,3,6-8H2,1H3,(H2,20,21)/t10-,11+,16?/m0/s1 COXXCFPTOCRKAL-BBXPGFNESA-N 160663 US9045498, 5 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90220150 295369479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303930 C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1Cl)C#N InChI=1S/C15H16ClN3OS/c1-9-4-11-7-21-14(18)19-15(11,8-20-9)12-5-10(6-17)2-3-13(12)16/h2-3,5,9,11H,4,7-8H2,1H3,(H2,18,19)/t9-,11-,15?/m0/s1 VYBHHQLXMCSOPJ-BCHVBWPQSA-N 160664 US9045498, 6 Beta-secretase 1 Homo sapiens 2330 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369177 295369480 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303931 C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cccc(c1)C#N InChI=1S/C15H17N3OS/c1-10-5-13-8-20-14(17)18-15(13,9-19-10)12-4-2-3-11(6-12)7-16/h2-4,6,10,13H,5,8-9H2,1H3,(H2,17,18)/t10-,13-,15?/m0/s1 CCDPYCXLNZDWIV-DLTVRGQDSA-N 160665 US9045498, 7 Beta-secretase 1 Homo sapiens 1780 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369154 295369481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303932 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1 KXRWMDHPUURSND-USBNGQNGSA-N 160666 US9045498, 8 Beta-secretase 1 Homo sapiens 76 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74B 5T1W 86762648 295369482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303933 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C17H20F5N3OS/c1-9-2-11-6-27-15(23)25-16(11,8-26-9)12-3-10(13(18)4-14(12)19)5-24-7-17(20,21)22/h3-4,9,11,24H,2,5-8H2,1H3,(H2,23,25)/t9-,11-,16-/m0/s1 TYWXSGCMPNKOIV-QEKSWQHZSA-N 160667 US9045498, 9 Beta-secretase 1 Homo sapiens 76 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762650 295369483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303934 Cc1cc(on1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N InChI=1S/C18H17FN4O2S/c1-10-4-16(25-23-10)15-6-12-8-26-17(21)22-18(12,9-24-15)13-5-11(7-20)2-3-14(13)19/h2-5,12,15H,6,8-9H2,1H3,(H2,21,22)/t12-,15+,18?/m0/s1 BKMDIQZSLGOGJJ-LYLHDHRRSA-N 160668 US9045498, 10 Beta-secretase 1 Homo sapiens 64 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369171 295369484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303935 Cc1coc(n1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N InChI=1S/C18H17FN4O2S/c1-10-7-24-16(22-10)15-5-12-8-26-17(21)23-18(12,9-25-15)13-4-11(6-20)2-3-14(13)19/h2-4,7,12,15H,5,8-9H2,1H3,(H2,21,23)/t12-,15+,18?/m0/s1 HDSQXESMOOPUIZ-LYLHDHRRSA-N 160669 US9045498, 11 Beta-secretase 1 Homo sapiens 107 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369185 295369485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303936 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N InChI=1S/C18H18FN5OS/c1-24-8-12(7-22-24)16-5-13-9-26-17(21)23-18(13,10-25-16)14-4-11(6-20)2-3-15(14)19/h2-4,7-8,13,16H,5,9-10H2,1H3,(H2,21,23)/t13-,16+,18?/m0/s1 LQXAVXUZXAHPSZ-NHSXVPOTSA-N 160670 US9045498, 12 Beta-secretase 1 Homo sapiens 60 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369187 295369486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303937 NC1=NC2(CO[C@H](C[C@H]2CS1)C1CC1)c1cc(ccc1F)C#N InChI=1S/C17H18FN3OS/c18-14-4-1-10(7-19)5-13(14)17-9-22-15(11-2-3-11)6-12(17)8-23-16(20)21-17/h1,4-5,11-12,15H,2-3,6,8-9H2,(H2,20,21)/t12-,15+,17?/m0/s1 PSCXAASTXKWNFH-AJAMINHISA-N 160671 US9045498, 13 Beta-secretase 1 Homo sapiens 342 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 112499976 295369487 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303938 C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N InChI=1S/C15H16FN3OS/c1-9-4-11-7-21-14(18)19-15(11,8-20-9)12-5-10(6-17)2-3-13(12)16/h2-3,5,9,11H,4,7-8H2,1H3,(H2,18,19)/t9-,11-,15?/m0/s1 PXLLPEXHLJSCFX-BCHVBWPQSA-N 160672 US9045498, 14 Beta-secretase 1 Homo sapiens 967 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369122 295369488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303939 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)ccc1F InChI=1S/C17H20F5N3OS/c18-5-12-4-11-7-27-15(23)25-16(11,9-26-12)13-3-10(1-2-14(13)19)6-24-8-17(20,21)22/h1-3,11-12,24H,4-9H2,(H2,23,25)/t11-,12+,16-/m0/s1 YMEAVKLDFSPRMT-OZVIIMIRSA-N 160673 US9045498, 15 Beta-secretase 1 Homo sapiens 376 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76281309 295369489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303940 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)ccc1F InChI=1S/C20H23F4N5OS/c1-29-8-13(7-27-29)17-5-14-9-31-18(25)28-19(14,11-30-17)15-4-12(2-3-16(15)21)6-26-10-20(22,23)24/h2-4,7-8,14,17,26H,5-6,9-11H2,1H3,(H2,25,28)/t14-,17+,19-/m0/s1 SFTSIIWRWYJDCO-YJLNNSPDSA-N 160674 US9045498, 16 Beta-secretase 1 Homo sapiens 19 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74762656 295369490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303941 C[C@H]1SC(N)=NC2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1cc(ccc1F)C#N InChI=1S/C19H19FN4O2S/c1-10-5-17(26-24-10)16-7-13-11(2)27-18(22)23-19(13,9-25-16)14-6-12(8-21)3-4-15(14)20/h3-6,11,13,16H,7,9H2,1-2H3,(H2,22,23)/t11-,13+,16-,19?/m1/s1 YKSVZEYWELDDKS-KUAWREIKSA-N 160675 US9045498, 17 Beta-secretase 1 Homo sapiens 82 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90369205 295369491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303942 COC[C@@H](C)NCc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)c1cnn(C)c1 InChI=1S/C22H30FN5O2S/c1-14(11-29-3)25-8-15-4-5-19(23)18(6-15)22-13-30-20(16-9-26-28(2)10-16)7-17(22)12-31-21(24)27-22/h4-6,9-10,14,17,20,25H,7-8,11-13H2,1-3H3,(H2,24,27)/t14-,17+,20-,22+/m1/s1 IAELCBCZISVJNJ-FKVUHXGFSA-N 160676 US9045498, 18 Beta-secretase 1 Homo sapiens 36 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76281577 295369492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303943 C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)ccc1F InChI=1S/C18H22F5N3OS/c1-10-4-13-15(6-19)28-16(24)26-17(13,9-27-10)12-5-11(2-3-14(12)20)7-25-8-18(21,22)23/h2-3,5,10,13,15,25H,4,6-9H2,1H3,(H2,24,26)/t10-,13-,15+,17+/m0/s1 ZFLXFQVZVLHJPR-QYDQDYAYSA-N 160677 US9045498, 19 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90211867 295369493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303944 C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C18H21F6N3OS/c1-9-2-12-15(5-19)29-16(25)27-17(12,8-28-9)11-3-10(13(20)4-14(11)21)6-26-7-18(22,23)24/h3-4,9,12,15,26H,2,5-8H2,1H3,(H2,25,27)/t9-,12-,15+,17+/m0/s1 DDPFTQRFQMKXNQ-BPCKDUPKSA-N 160678 US9045498, 20 Beta-secretase 1 Homo sapiens 68 US Patent 10.7270/Q2W094PQ aid1801276 US9045498 Brodney, MA; Beck, EM; Butler, CR; Davoren, JE; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90211858 295369494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303950 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCON=C23)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C25H26ClFN4O2/c1-32-20-4-6-24(7-5-20)14-16-3-2-15(17-10-18(26)13-19(27)11-17)12-21(16)25(24)22-30-33-9-8-31(22)23(28)29-25/h2-3,10-13,20H,4-9,14H2,1H3,(H2,28,29) BAEJTNUKAFJBAL-UHFFFAOYSA-N 160679 US9045500, 1 Beta-secretase 1 Homo sapiens 1.1 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53354800 295369495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303951 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCON=C23)-c2cccc(OC(F)(F)F)c2)CC1 InChI=1S/C26H27F3N4O3/c1-34-19-7-9-24(10-8-19)15-18-6-5-17(16-3-2-4-20(13-16)36-26(27,28)29)14-21(18)25(24)22-32-35-12-11-33(22)23(30)31-25/h2-6,13-14,19H,7-12,15H2,1H3,(H2,30,31) YOZNYOCCXCQSPL-UHFFFAOYSA-N 160680 US9045500, 2 Beta-secretase 1 Homo sapiens 2.19 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375148 295369496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303952 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C26H28ClFN4O/c1-33-21-5-7-25(8-6-21)15-17-4-3-16(18-11-19(27)14-20(28)12-18)13-22(17)26(25)23-30-9-2-10-32(23)24(29)31-26/h3-4,11-14,21H,2,5-10,15H2,1H3,(H2,29,31) IBHBTHAJFWXUIO-UHFFFAOYSA-N 160681 US9045500, 3 Beta-secretase 1 Homo sapiens 9.5 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374860 295369497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303953 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)C#CC2CC2)CC1 InChI=1S/C25H30N4O/c1-30-20-9-11-24(12-10-20)16-19-8-7-18(6-5-17-3-4-17)15-21(19)25(24)22-27-13-2-14-29(22)23(26)28-25/h7-8,15,17,20H,2-4,9-14,16H2,1H3,(H2,26,28) SDKWCTNSGAPDNE-UHFFFAOYSA-N 160682 US9045500, 4 Beta-secretase 1 Homo sapiens 29 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374861 295369498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303954 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cccnc2)CC1 InChI=1S/C25H29N5O/c1-31-20-7-9-24(10-8-20)15-18-6-5-17(19-4-2-11-27-16-19)14-21(18)25(24)22-28-12-3-13-30(22)23(26)29-25/h2,4-6,11,14,16,20H,3,7-10,12-13,15H2,1H3,(H2,26,29) JNQFSJMQTKFBBJ-UHFFFAOYSA-N 160683 US9045500, 5 Beta-secretase 1 Homo sapiens 14 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374952 295369499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303955 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(F)(F)CN=C23)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C26H26ClF3N4O/c1-35-20-4-6-24(7-5-20)12-16-3-2-15(17-8-18(27)11-19(28)9-17)10-21(16)26(24)22-32-13-25(29,30)14-34(22)23(31)33-26/h2-3,8-11,20H,4-7,12-14H2,1H3,(H2,31,33) ROOXCBXQYJCHAY-UHFFFAOYSA-N 160684 US9045500, 6 Beta-secretase 1 Homo sapiens 5 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374953 295369500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303956 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(C)(C)CN=C23)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C28H32ClFN4O/c1-26(2)15-32-24-28(33-25(31)34(24)16-26)23-12-17(19-10-20(29)13-21(30)11-19)4-5-18(23)14-27(28)8-6-22(35-3)7-9-27/h4-5,10-13,22H,6-9,14-16H2,1-3H3,(H2,31,33) NTIWFVCMPHIFEA-UHFFFAOYSA-N 160685 US9045500, 7 Beta-secretase 1 Homo sapiens 2816 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374954 295369501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303957 CCC1CN=C2N(C1)C(N)=NC21c2cc(ccc2CC11CCC(CC1)OC)-c1cc(F)cc(Cl)c1 InChI=1S/C28H32ClFN4O/c1-3-17-15-32-25-28(33-26(31)34(25)16-17)24-12-18(20-10-21(29)13-22(30)11-20)4-5-19(24)14-27(28)8-6-23(35-2)7-9-27/h4-5,10-13,17,23H,3,6-9,14-16H2,1-2H3,(H2,31,33) NARSLJYIABFILA-UHFFFAOYSA-N 160686 US9045500, 8 Beta-secretase 1 Homo sapiens 7.5 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374955 295369502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303958 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(F)(F)CN=C23)C#CC2CC2)CC1 InChI=1S/C25H28F2N4O/c1-32-19-8-10-23(11-9-19)13-18-7-6-17(5-4-16-2-3-16)12-20(18)25(23)21-29-14-24(26,27)15-31(21)22(28)30-25/h6-7,12,16,19H,2-3,8-11,13-15H2,1H3,(H2,28,30) CGZRITQYZWNIBM-UHFFFAOYSA-N 160687 US9045500, 9 Beta-secretase 1 Homo sapiens 16.3 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53374956 295369503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303959 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC4(CC4)CN=C23)C#CC2CC2)CC1 InChI=1S/C27H32N4O/c1-32-21-8-10-26(11-9-21)15-20-7-6-19(5-4-18-2-3-18)14-22(20)27(26)23-29-16-25(12-13-25)17-31(23)24(28)30-27/h6-7,14,18,21H,2-3,8-13,15-17H2,1H3,(H2,28,30) DEWLGRQKTGORGU-UHFFFAOYSA-N 160688 US9045500, 10 Beta-secretase 1 Homo sapiens 733 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239179 295369504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303960 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N3CC4(CC4)CN=C23)CC1 InChI=1S/C22H27BrN4O/c1-28-16-4-6-21(7-5-16)11-14-2-3-15(23)10-17(14)22(21)18-25-12-20(8-9-20)13-27(18)19(24)26-22/h2-3,10,16H,4-9,11-13H2,1H3,(H2,24,26) UEVLSFQRXXKYKI-UHFFFAOYSA-N 160689 US9045500, 11 Beta-secretase 1 Homo sapiens 242 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375046 295369505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303961 COC1CCC2(Cc3ccc(OC)cc3C22N=C(N)N3C2CCCC3C(F)(F)F)CC1 InChI=1S/C23H30F3N3O2/c1-30-15-8-10-21(11-9-15)13-14-6-7-16(31-2)12-17(14)22(21)18-4-3-5-19(23(24,25)26)29(18)20(27)28-22/h6-7,12,15,18-19H,3-5,8-11,13H2,1-2H3,(H2,27,28) HSZTWTGIEKWAAA-UHFFFAOYSA-N 160690 US9045500, 12 Beta-secretase 1 Homo sapiens 50000 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375047 295369506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303962 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccccc23)CC1 InChI=1S/C22H23BrN2O/c1-26-16-8-10-21(11-9-16)13-14-6-7-15(23)12-19(14)22(21)18-5-3-2-4-17(18)20(24)25-22/h2-7,12,16H,8-11,13H2,1H3,(H2,24,25) SVGHOSFUMGIMKK-UHFFFAOYSA-N 160691 US9045500, 13 Beta-secretase 1 Homo sapiens 55 4.5 25.00 C US Patent 10.7270/Q2RB73B8 aid1801278 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375150 295369507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303963 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)C#CC2CC2)CC1 InChI=1S/C27H28N2O/c1-30-21-12-14-26(15-13-21)17-20-11-10-19(9-8-18-6-7-18)16-24(20)27(26)23-5-3-2-4-22(23)25(28)29-27/h2-5,10-11,16,18,21H,6-7,12-15,17H2,1H3,(H2,28,29) FJILTWMISJGILM-UHFFFAOYSA-N 160692 US9045500, 14 Beta-secretase 1 Homo sapiens 14.5 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375048 295369508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303964 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)-c2cccc(c2)C#N)CC1 InChI=1S/C29H27N3O/c1-33-23-11-13-28(14-12-23)17-22-10-9-21(20-6-4-5-19(15-20)18-30)16-26(22)29(28)25-8-3-2-7-24(25)27(31)32-29/h2-10,15-16,23H,11-14,17H2,1H3,(H2,31,32) ZQGIPIQLEWFXQC-UHFFFAOYSA-N 160693 US9045500, 15 Beta-secretase 1 Homo sapiens 6 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239181 295369509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303965 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C28H26F3N3O/c1-35-21-8-10-26(11-9-21)14-18-7-6-17(19-12-20(16-33-15-19)28(29,30)31)13-24(18)27(26)23-5-3-2-4-22(23)25(32)34-27/h2-7,12-13,15-16,21H,8-11,14H2,1H3,(H2,32,34) OKWNXGJDPDZEMW-UHFFFAOYSA-N 160694 US9045500, 16 Beta-secretase 1 Homo sapiens 47 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239087 295369510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303966 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 InChI=1S/C28H27N3O/c1-32-22-10-12-27(13-11-22)16-21-8-6-19(5-4-18-2-3-18)14-24(21)28(27)25-15-20(17-29)7-9-23(25)26(30)31-28/h6-9,14-15,18,22H,2-3,10-13,16H2,1H3,(H2,30,31) JZQLUTHTSVLPQE-UHFFFAOYSA-N 160695 US9045500, 17 Beta-secretase 1 Homo sapiens 3.6 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375149 295369511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303967 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 InChI=1S/C28H27N3O/c1-32-22-10-12-27(13-11-22)16-21-8-6-19(5-4-18-2-3-18)14-24(21)28(27)25-15-20(17-29)7-9-23(25)26(30)31-28/h6-9,14-15,18,22H,2-3,10-13,16H2,1H3,(H2,30,31)/t22-,27-,28? JZQLUTHTSVLPQE-BZMINTDKSA-N 160696 US9045500, 18 Beta-secretase 1 Homo sapiens 4.6 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375149 295369512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303968 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 InChI=1S/C28H27N3O/c1-32-22-10-12-27(13-11-22)16-21-8-6-19(5-4-18-2-3-18)14-24(21)28(27)25-15-20(17-29)7-9-23(25)26(30)31-28/h6-9,14-15,18,22H,2-3,10-13,16H2,1H3,(H2,30,31)/t22-,27-,28-/m1/s1 JZQLUTHTSVLPQE-MWVDVNALSA-N 160697 US9045500, 19 Beta-secretase 1 Homo sapiens 5.9 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239182 295369513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303969 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C29H25ClFN3O/c1-35-23-6-8-28(9-7-23)15-19-4-3-18(20-11-21(30)14-22(31)12-20)13-25(19)29(28)26-10-17(16-32)2-5-24(26)27(33)34-29/h2-5,10-14,23H,6-9,15H2,1H3,(H2,33,34) BWLWXFMPUHMTMU-UHFFFAOYSA-N 160698 US9045500, 20 Beta-secretase 1 Homo sapiens 20 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274542 295369514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303970 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)c2ccccc12)C#CC1CC1 InChI=1S/C26H26N2O2/c1-29-19-12-14-25(15-13-19)26(21-5-3-2-4-20(21)24(27)28-26)22-16-18(9-8-17-6-7-17)10-11-23(22)30-25/h2-5,10-11,16-17,19H,6-7,12-15H2,1H3,(H2,27,28) IFHUNLDYJHRBIF-UHFFFAOYSA-N 160699 US9045500, 21 Beta-secretase 1 Homo sapiens 74 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239190 295369515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303971 COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccccc12 InChI=1S/C21H21ClN2O2/c1-25-14-8-10-20(11-9-14)21(17-12-13(22)6-7-18(17)26-20)16-5-3-2-4-15(16)19(23)24-21/h2-7,12,14H,8-11H2,1H3,(H2,23,24) PDPAMGOYXKELLJ-UHFFFAOYSA-N 160700 US9045500, 22 Beta-secretase 1 Homo sapiens 413 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239175 295369516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303972 COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccc(cc12)C#N InChI=1S/C22H20ClN3O2/c1-27-15-6-8-21(9-7-15)22(18-11-14(23)3-5-19(18)28-21)17-10-13(12-24)2-4-16(17)20(25)26-22/h2-5,10-11,15H,6-9H2,1H3,(H2,25,26) WFVADSFSJWNYKG-UHFFFAOYSA-N 160701 US9045500, 23 Beta-secretase 1 Homo sapiens 83 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239193 295369517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303973 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccc(OC)cc23)CC1 InChI=1S/C23H25BrN2O2/c1-27-16-7-9-22(10-8-16)13-14-3-4-15(24)11-19(14)23(22)20-12-17(28-2)5-6-18(20)21(25)26-23/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,25,26) AVMCKOADYOYBPS-UHFFFAOYSA-N 160702 US9045500, 24 Beta-secretase 1 Homo sapiens 1428 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239044 295369518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303974 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(OC)cc23)C#CC2CC2)CC1 InChI=1S/C28H30N2O2/c1-31-21-11-13-27(14-12-21)17-20-8-7-19(6-5-18-3-4-18)15-24(20)28(27)25-16-22(32-2)9-10-23(25)26(29)30-28/h7-10,15-16,18,21H,3-4,11-14,17H2,1-2H3,(H2,29,30) QFSQMPGWUDANFK-UHFFFAOYSA-N 160703 US9045500, 25 Beta-secretase 1 Homo sapiens 35 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239148 295369519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303975 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)CC1 InChI=1S/C23H22BrF3N2O/c1-30-16-6-8-21(9-7-16)12-13-2-4-15(24)11-18(13)22(21)19-10-14(23(25,26)27)3-5-17(19)20(28)29-22/h2-5,10-11,16H,6-9,12H2,1H3,(H2,28,29) ZDSAMHCHTGYAES-UHFFFAOYSA-N 160704 US9045500, 26 Beta-secretase 1 Homo sapiens 65 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239048 295369520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303976 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)C#CC2CC2)CC1 InChI=1S/C28H27F3N2O/c1-34-21-10-12-26(13-11-21)16-19-7-6-18(5-4-17-2-3-17)14-23(19)27(26)24-15-20(28(29,30)31)8-9-22(24)25(32)33-27/h6-9,14-15,17,21H,2-3,10-13,16H2,1H3,(H2,32,33) QEMOBKIVQVMGIA-UHFFFAOYSA-N 160705 US9045500, 27 Beta-secretase 1 Homo sapiens 6.5 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239047 295369521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303977 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)c3ccccc23)CC1 InChI=1S/C26H30N2O2/c1-29-19-10-12-25(13-11-19)15-18-8-9-20(30-16-17-6-7-17)14-23(18)26(25)22-5-3-2-4-21(22)24(27)28-26/h2-5,8-9,14,17,19H,6-7,10-13,15-16H2,1H3,(H2,27,28) ADFKLDIQJGXISH-UHFFFAOYSA-N 160706 US9045500, 28 Beta-secretase 1 Homo sapiens 13 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239049 295369522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303978 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3c2cccc3F)C#CC2CC2)CC1 InChI=1S/C27H27FN2O/c1-31-20-11-13-26(14-12-20)16-19-10-9-18(8-7-17-5-6-17)15-22(19)27(26)21-3-2-4-23(28)24(21)25(29)30-27/h2-4,9-10,15,17,20H,5-6,11-14,16H2,1H3,(H2,29,30) KDGPTLPOMGVKTI-UHFFFAOYSA-N 160707 US9045500, 33 Beta-secretase 1 Homo sapiens 5 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239051 295369523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303979 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)c3c2cccc3F)CC1 InChI=1S/C27H31FN2O/c1-31-20-11-13-26(14-12-20)16-19-10-9-18(8-7-17-5-6-17)15-22(19)27(26)21-3-2-4-23(28)24(21)25(29)30-27/h2-4,9-10,15,17,20H,5-8,11-14,16H2,1H3,(H2,29,30) UTHSLPJVFNILFB-UHFFFAOYSA-N 160708 US9045500, 34 Beta-secretase 1 Homo sapiens 13 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68239050 295369524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303980 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3cc(ccc23)C#N)CC1 InChI=1S/C23H22BrN3O/c1-28-17-6-8-22(9-7-17)12-15-3-4-16(24)11-20(15)23(22)19-5-2-14(13-25)10-18(19)21(26)27-23/h2-5,10-11,17H,6-9,12H2,1H3,(H2,26,27) PHVXICRQVGFYIZ-UHFFFAOYSA-N 160709 US9045500, 35 Beta-secretase 1 Homo sapiens 24.8 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375051 295369525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 303981 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3cc(ccc23)C#N)C#CC2CC2)CC1 InChI=1S/C28H27N3O/c1-32-22-10-12-27(13-11-22)16-21-8-6-19(5-4-18-2-3-18)15-25(21)28(27)24-9-7-20(17-29)14-23(24)26(30)31-28/h6-9,14-15,18,22H,2-3,10-13,16H2,1H3,(H2,30,31) XKZVEPQBIDYQBE-UHFFFAOYSA-N 160710 US9045500, 36 Beta-secretase 1 Homo sapiens 4.09 4.4 US Patent 10.7270/Q2RB73B8 aid1801279 US9045500 Dillard, LW; Yuan, J; Leftheris, K; Venkatraman, S; Wu, G; Jia, L; Xu, Z; Cacatian, S; Morales-Ramos, A; Singh, SB; Zheng, Y Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53375145 295369526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 306768 CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 InChI=1S/C17H18F3N7O3/c1-3-29-10-6-23-11(13(21)26-10)14(28)25-9-5-4-8(18)12(24-9)16(2)17(19,20)7-30-15(22)27-16/h4-6H,3,7H2,1-2H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t16-/m1/s1 NUEIKLHJDKPZGO-MRXNPFEDSA-N 60791 US9163011, 28 Beta-secretase 1 Homo sapiens 1900 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121595828 317222848 ZINC03278792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312099 Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5cc(Cl)ccc45)cc3)ccc12 InChI=1S/C28H21ClN2O3/c1-16-13-27(32)34-26-15-20(10-12-21(16)26)33-19-8-6-18(7-9-19)30-28-22-3-2-4-24(22)31-25-14-17(29)5-11-23(25)28/h5-15H,2-4H2,1H3,(H,30,31) YHGBOIWTNXFNCE-UHFFFAOYSA-N 192688 7-(4-((6-Chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino)phenoxy)-4-methyl-2H-chromen-2-one (8e) Beta-secretase 1 Homo sapiens 7990 8 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.06.001 10.7270/Q2R21066 27289559 aid1801911 Najafi, Z; Saeedi, M; Mahdavi, M; Sabourian, R; Khanavi, M; Tehrani, MB; Moghadam, FH; Edraki, N; Karimpor-Razkenari, E; Sharifzadeh, M; Foroumadi, A; Shafiee, A; Akbarzadeh, T Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=192688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=192688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121596756 317230165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312100 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 14 8 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.06.001 10.7270/Q2R21066 27289559 aid1801911 Najafi, Z; Saeedi, M; Mahdavi, M; Sabourian, R; Khanavi, M; Tehrani, MB; Moghadam, FH; Edraki, N; Karimpor-Razkenari, E; Sharifzadeh, M; Foroumadi, A; Shafiee, A; Akbarzadeh, T Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315377 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18-/m0/s1 LUOFRFUNXXGHFC-FVMIAERFSA-N 171816 US9085576, 2b-B::US9085576, 2b-rac Beta-secretase 1 Homo sapiens 604.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411856 312528468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315378 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18-/m1/s1 LUOFRFUNXXGHFC-CDNVCLAFSA-N 171817 US9085576, 2b-A Beta-secretase 1 Homo sapiens 252.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412860 312528469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315379 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18-/m0/s1 LUOFRFUNXXGHFC-FVMIAERFSA-N 171816 US9085576, 2b-B::US9085576, 2b-rac Beta-secretase 1 Homo sapiens 41247 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411856 312528468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315380 COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O3/c1-29-14-4-8(20)7-25-15(14)16(28)26-9-2-3-12(21)10(5-9)19(17(22)23)11-6-13(11)30-18(24)27-19/h2-5,7,11,13,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,13+,19+/m0/s1 XKYJUYNIOSBYRS-CENXUZMRSA-N 171394 US9085576, 28 Beta-secretase 1 Homo sapiens 117.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232930 312528075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315381 Cc1cc(OCC#CC(C)(C)O)cnc1C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C25H27FN4O4/c1-14-10-16(33-9-5-8-24(2,3)32)13-28-21(14)22(31)29-15-6-7-19(26)17(11-15)25(4)18-12-20(18)34-23(27)30-25/h6-7,10-11,13,18,20,32H,9,12H2,1-4H3,(H2,27,30)(H,29,31)/t18-,20+,25?/m1/s1 UXSPFCVHCYSGDI-RZCQNPAPSA-N 171395 US9085576, 29 Beta-secretase 1 Homo sapiens 206.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796782 312528076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315382 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1 OJWJKXCEPPILPQ-SZEPBZDZSA-N 171396 US9085576, 123::US9085576, 30::US9611261, Example 123 Beta-secretase 1 Homo sapiens 43.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413687 312528077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315383 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m1/s1 DDSXLJNBGIUGBD-FWVNDXEPSA-N 171397 US9085576, 31::US9085576, 32::US9611261, Example 32 Beta-secretase 1 Homo sapiens 306 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401352 312528078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315384 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m1/s1 DDSXLJNBGIUGBD-FWVNDXEPSA-N 171397 US9085576, 31::US9085576, 32::US9611261, Example 32 Beta-secretase 1 Homo sapiens 1220 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401352 312528078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315385 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F3N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(23)13(22)5-10)20(9-21)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m0/s1 TWIIRUCDCKGBEK-RPLLZPRCSA-N 171399 US9085576, 33::US9611261, Example 33 Beta-secretase 1 Homo sapiens 5.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412198 312528079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315386 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F3N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(23)13(22)5-10)20(9-21)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m1/s1 TWIIRUCDCKGBEK-LQGCGHSZSA-N 171400 US9085576, 34::US9611261, Example 34 Beta-secretase 1 Homo sapiens 6215 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441909 312528080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315387 CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H18F3N5O3/c1-2-3-4-31-17-9-26-15(8-27-17)19(30)28-11-5-13(18(24)14(23)6-11)21(10-22)12-7-16(12)32-20(25)29-21/h5-6,8-9,12,16H,4,7,10H2,1H3,(H2,25,29)(H,28,30)/t12-,16+,21-/m0/s1 ZQFHOZFDCKLZCZ-LSWYUMSHSA-N 171401 US9085576, 35::US9611261, Example 35 Beta-secretase 1 Homo sapiens 1.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413674 312528081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315388 CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C21H18F3N5O3/c1-2-3-4-31-17-9-26-15(8-27-17)19(30)28-11-5-13(18(24)14(23)6-11)21(10-22)12-7-16(12)32-20(25)29-21/h5-6,8-9,12,16H,4,7,10H2,1H3,(H2,25,29)(H,28,30)/t12-,16+,21-/m1/s1 ZQFHOZFDCKLZCZ-PTPDTQQLSA-N 171402 US9085576, 36::US9611261, Example 36 Beta-secretase 1 Homo sapiens 295.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441912 312528082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315389 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H14F3N5O2/c20-8-19(11-5-15(11)29-18(24)27-19)12-3-10(4-13(21)16(12)22)26-17(28)14-2-1-9(6-23)7-25-14/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m0/s1 IUWOUFWAEYGEDU-CQOVVYFZSA-N 171403 US9085576, 37::US9611261, Example 37 Beta-secretase 1 Homo sapiens 69.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414092 312528083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315390 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H14F3N5O2/c20-8-19(11-5-15(11)29-18(24)27-19)12-3-10(4-13(21)16(12)22)26-17(28)14-2-1-9(6-23)7-25-14/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m1/s1 IUWOUFWAEYGEDU-VZMUKZCBSA-N 171404 US9085576, 38::US9611261, Example 38 Beta-secretase 1 Homo sapiens 16500 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441910 312528084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315391 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H14BrF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m0/s1 WGEFTILQQIDJRD-LWGAZXOISA-N 171405 US9085576, 39::US9611261, Example 39 Beta-secretase 1 Homo sapiens 46.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414821 312528085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315392 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H14BrF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m1/s1 WGEFTILQQIDJRD-FWVNDXEPSA-N 171406 US9085576, 40::US9611261, Example 40 Beta-secretase 1 Homo sapiens 6495 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441911 312528086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315393 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17F3N4O3/c1-28-10-2-3-14(24-7-10)17(27)25-9-4-12(16(22)13(21)5-9)19(8-20)11-6-15(11)29-18(23)26-19/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 UZRGCIPMIVXAHN-CQOVVYFZSA-N 171407 US9085576, 41::US9611261, Example 41 Beta-secretase 1 Homo sapiens 134.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90416299 312528087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315394 COCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O3/c1-30-8-9-4-10(21)7-26-16(9)17(29)27-11-2-3-14(22)12(5-11)20(18(23)24)13-6-15(13)31-19(25)28-20/h2-5,7,13,15,18H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 MDLQHBVCILBPSV-XBHMSOGKSA-N 171408 US9085576, 42::US9611261, Example 42 Beta-secretase 1 Homo sapiens 27.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414451 312528088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315395 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-9(20)7-25-15(8)16(28)26-10-2-3-13(21)11(5-10)19(17(22)23)12-6-14(12)29-18(24)27-19/h2-5,7,12,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t12-,14+,19+/m0/s1 YIUIJXBYTVHAJS-BBEJJTJUSA-N 171409 US9085576, 43::US9611261, Example 43 Beta-secretase 1 Homo sapiens 22.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469559 312528089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315396 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C20H16F3N5O2/c1-9-4-10(7-24)8-26-16(9)17(29)27-11-2-3-14(21)12(5-11)20(18(22)23)13-6-15(13)30-19(25)28-20/h2-5,8,13,15,18H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 GJUTYYBPDFWHKP-XBHMSOGKSA-N 171410 US9085576, 44::US9611261, Example 44 Beta-secretase 1 Homo sapiens 14.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469560 312528090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315397 COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C20H16F3N5O3/c1-30-15-4-9(7-24)8-26-16(15)17(29)27-10-2-3-13(21)11(5-10)20(18(22)23)12-6-14(12)31-19(25)28-20/h2-5,8,12,14,18H,6H2,1H3,(H2,25,28)(H,27,29)/t12-,14+,20+/m0/s1 DXIREUBTMLPQQO-KBARZSOFSA-N 171411 US9085576, 45::US9611261, Example 45 Beta-secretase 1 Homo sapiens 55.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414782 312528091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315398 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H13ClF5N5O2/c18-9-4-28(15(22)23)27-13(9)14(29)25-6-1-8(12(21)10(20)2-6)17(5-19)7-3-11(7)30-16(24)26-17/h1-2,4,7,11,15H,3,5H2,(H2,24,26)(H,25,29)/t7-,11+,17-/m0/s1 TUCNQDWQUTUTKC-AUWAXLAASA-N 171412 US9085576, 46::US9611261, Example 46 Beta-secretase 1 Homo sapiens 18 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412206 312528092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315399 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H13ClF5N5O2/c18-9-4-28(15(22)23)27-13(9)14(29)25-6-1-8(12(21)10(20)2-6)17(5-19)7-3-11(7)30-16(24)26-17/h1-2,4,7,11,15H,3,5H2,(H2,24,26)(H,25,29)/t7-,11+,17-/m1/s1 TUCNQDWQUTUTKC-GUSVJKSTSA-N 171413 US9085576, 47::US9611261, Example 47 Beta-secretase 1 Homo sapiens 21150 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441913 312528093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315400 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m0/s1 DDSXLJNBGIUGBD-LWGAZXOISA-N 171414 US9085576, 142::US9085576, 48::US9611261, Example 48 Beta-secretase 1 Homo sapiens 43.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413581 312528094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315401 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16F3N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(23)14(22)4-11)20(8-21)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 GZZFXSHHFLNZPZ-VHPWJVAPSA-N 171415 US9085576, 49::US9611261, Example 49 Beta-secretase 1 Homo sapiens 30.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414093 312528095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315402 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N InChI=1S/C20H16F3N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(23)14(22)4-11)20(8-21)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m1/s1 GZZFXSHHFLNZPZ-UFAGZECESA-N 171416 US9085576, 50::US9611261, Example 50 Beta-secretase 1 Homo sapiens 26621 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441914 312528096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315403 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)(F)F InChI=1S/C20H16F6N4O2/c1-8-2-9(20(24,25)26)6-28-16(8)17(31)29-10-3-12(15(23)13(22)4-10)19(7-21)11-5-14(11)32-18(27)30-19/h2-4,6,11,14H,5,7H2,1H3,(H2,27,30)(H,29,31)/t11-,14+,19-/m0/s1 PZAOWJRRCHUWQH-SZEPBZDZSA-N 171417 US9085576, 51::US9611261, Example 51 Beta-secretase 1 Homo sapiens 62.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90417533 312528097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315404 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C(F)(F)F InChI=1S/C20H16F6N4O2/c1-8-2-9(20(24,25)26)6-28-16(8)17(31)29-10-3-12(15(23)13(22)4-10)19(7-21)11-5-14(11)32-18(27)30-19/h2-4,6,11,14H,5,7H2,1H3,(H2,27,30)(H,29,31)/t11-,14+,19-/m1/s1 PZAOWJRRCHUWQH-CILWKZBWSA-N 171418 US9085576, 52::US9611261, Example 52 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441915 312528098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315405 Cc1nc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C18H15ClF3N5O2/c1-7-14(24-6-13(19)25-7)15(28)26-8-2-3-11(20)9(4-8)18(16(21)22)10-5-12(10)29-17(23)27-18/h2-4,6,10,12,16H,5H2,1H3,(H2,23,27)(H,26,28)/t10-,12+,18+/m1/s1 GJTAOICRZPTZGX-MYFIVHGGSA-N 171419 US9085576, 53::US9611261, Example 53 Beta-secretase 1 Homo sapiens 61.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441917 312528099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315406 Cc1ncc(Cl)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C18H15ClF3N5O2/c1-7-14(26-13(19)6-24-7)15(28)25-8-2-3-11(20)9(4-8)18(16(21)22)10-5-12(10)29-17(23)27-18/h2-4,6,10,12,16H,5H2,1H3,(H2,23,27)(H,25,28)/t10-,12+,18+/m1/s1 LIXCQAUUIZRMQI-MYFIVHGGSA-N 171420 US9085576, 54::US9611261, Example 54 Beta-secretase 1 Homo sapiens 2510 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441916 312528100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315407 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 RQUKXRXQXUNQGZ-VZSAFFHGSA-N 171421 US9085576, 55::US9085576, 60::US9611261, Example 60 Beta-secretase 1 Homo sapiens 36.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413256 312528101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315408 CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)O[C@@H]3C[C@H]23)c(C)c1 InChI=1S/C23H23FN4O3/c1-4-5-8-30-15-9-13(2)20(26-12-15)21(29)27-14-6-7-18(24)16(10-14)23(3)17-11-19(17)31-22(25)28-23/h6-7,9-10,12,17,19H,8,11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,19+,23+/m0/s1 SMPDRZSUSJZGCD-GEQKSPFYSA-N 171422 US9085576, 56::US9611261, Example 56 Beta-secretase 1 Homo sapiens 12.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413286 312528102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315409 CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)N=C(N)O[C@H]3C[C@@H]23)c(C)c1 InChI=1S/C23H23FN4O3/c1-4-5-8-30-15-9-13(2)20(26-12-15)21(29)27-14-6-7-18(24)16(10-14)23(3)17-11-19(17)31-22(25)28-23/h6-7,9-10,12,17,19H,8,11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,19+,23+/m1/s1 SMPDRZSUSJZGCD-FHJLPGHOSA-N 171423 US9085576, 57::US9611261, Example 57 Beta-secretase 1 Homo sapiens 2250 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412645 312528103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315410 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(N=C(N)O[C@H]3C[C@@H]23)C(F)F)c(C)n1 InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m1/s1 KNLYATVYPPDCEE-AGMRTUQYSA-N 171424 US9085576, 58::US9085576, 64::US9611261, Example 64 Beta-secretase 1 Homo sapiens 158 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413697 312528104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315411 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F3N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 UTTKUJQSCLBQAY-YFROIQMUSA-N 171425 US9085576, 59::US9085576, 65::US9611261, Example 65 Beta-secretase 1 Homo sapiens 34.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413014 312528105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315412 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 RQUKXRXQXUNQGZ-VZSAFFHGSA-N 171421 US9085576, 55::US9085576, 60::US9611261, Example 60 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413256 312528101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315413 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H17ClF3N5O2/c1-9-17(28-16-5-2-10(22)8-30(9)16)18(31)27-11-3-4-14(23)12(6-11)21(19(24)25)13-7-15(13)32-20(26)29-21/h2-6,8,13,15,19H,7H2,1H3,(H2,26,29)(H,27,31)/t13-,15+,21+/m1/s1 NVZCPHIUUAZHQC-CGSMKXTHSA-N 171427 US9085576, 61::US9611261, Example 61 Beta-secretase 1 Homo sapiens 166.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441918 312528106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315414 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF3N5O2/c20-12-3-8(6-24)7-26-15(12)16(29)27-9-1-2-13(21)10(4-9)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m1/s1 MVYKQTMWKRGHMH-WQBCIRTESA-N 171428 US9085576, 62::US9085576, 67::US9611261, Example 67 Beta-secretase 1 Homo sapiens 26.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413563 312528107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315415 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1 InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m0/s1 KNLYATVYPPDCEE-CENXUZMRSA-N 171429 US9085576, 63::US9611261, Example 63 Beta-secretase 1 Homo sapiens 63.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412982 312528108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315416 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(N=C(N)O[C@H]3C[C@@H]23)C(F)F)c(C)n1 InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m1/s1 KNLYATVYPPDCEE-AGMRTUQYSA-N 171424 US9085576, 58::US9085576, 64::US9611261, Example 64 Beta-secretase 1 Homo sapiens 6185 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413697 312528104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315417 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F3N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 UTTKUJQSCLBQAY-YFROIQMUSA-N 171425 US9085576, 59::US9085576, 65::US9611261, Example 65 Beta-secretase 1 Homo sapiens 21150 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413014 312528105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315418 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF3N5O2/c20-12-3-8(6-24)7-26-15(12)16(29)27-9-1-2-13(21)10(4-9)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m0/s1 MVYKQTMWKRGHMH-GEDNVKPRSA-N 171432 US9085576, 66::US9611261, Example 66 Beta-secretase 1 Homo sapiens 15.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469561 312528109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315419 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF3N5O2/c20-12-3-8(6-24)7-26-15(12)16(29)27-9-1-2-13(21)10(4-9)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m1/s1 MVYKQTMWKRGHMH-WQBCIRTESA-N 171428 US9085576, 62::US9085576, 67::US9611261, Example 67 Beta-secretase 1 Homo sapiens 26450 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413563 312528107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315420 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2/c1-18(12-7-15(12)26-17(21)24-18)11-6-10(3-4-13(11)20)23-16(25)14-5-2-9(19)8-22-14/h2-6,8,12,15H,7H2,1H3,(H2,21,24)(H,23,25)/t12-,15+,18+/m0/s1 ZRNDQKRMNYICGA-WBHUJUFNSA-N 171434 US9085576, 68::US9611261, Example 68 Beta-secretase 1 Homo sapiens 65 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412818 312528110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315421 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H17ClF3N5O2/c1-9-17(28-16-5-2-10(22)8-30(9)16)18(31)27-11-3-4-14(23)12(6-11)21(19(24)25)13-7-15(13)32-20(26)29-21/h2-6,8,13,15,19H,7H2,1H3,(H2,26,29)(H,27,31)/t13-,15+,21+/m0/s1 NVZCPHIUUAZHQC-QDUSTFBWSA-N 171435 US9085576, 69::US9611261, Example 69 Beta-secretase 1 Homo sapiens 126 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413333 312528111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315422 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(Cl)c1 InChI=1S/C19H16ClF3N4O3/c1-29-9-5-12(20)15(25-7-9)16(28)26-8-2-3-13(21)10(4-8)19(17(22)23)11-6-14(11)30-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19+/m0/s1 SGBYWDPTHVLPAE-GEDNVKPRSA-N 171436 US9085576, 70::US9611261, Example 70 Beta-secretase 1 Homo sapiens 56.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469562 312528112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315423 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H13Cl2F3N4O2/c19-7-3-11(20)14(25-6-7)15(28)26-8-1-2-12(21)9(4-8)18(16(22)23)10-5-13(10)29-17(24)27-18/h1-4,6,10,13,16H,5H2,(H2,24,27)(H,26,28)/t10-,13+,18+/m0/s1 DHNSWMZPTCJXNN-CRPGXEFLSA-N 171437 US9085576, 71::US9611261, Example 71 Beta-secretase 1 Homo sapiens 27.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469563 312528113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315424 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O3/c1-28-14-7-23-12(6-24-14)15(27)25-8-2-3-11(19)9(4-8)18(16(20)21)10-5-13(10)29-17(22)26-18/h2-4,6-7,10,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t10-,13+,18+/m0/s1 MGMSPPLJGNLXOS-CRPGXEFLSA-N 171438 US9085576, 72::US9611261, Example 72 Beta-secretase 1 Homo sapiens 76.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413938 312528114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315425 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H13ClF3N5O2/c18-7-1-2-11(23-5-7)14(27)25-8-3-10(13(19)24-6-8)17(15(20)21)9-4-12(9)28-16(22)26-17/h1-3,5-6,9,12,15H,4H2,(H2,22,26)(H,25,27)/t9-,12+,17-/m1/s1 XDYFJQHDPPAKQP-CIBPLQMKSA-N 171439 US9085576, 73::US9611261, Example 73 Beta-secretase 1 Homo sapiens 114.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441920 312528115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315426 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H14BrF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 KLDGVZBFMGQONH-UCMVZMLTSA-N 171440 US9085576, 74::US9611261, Example 74 Beta-secretase 1 Homo sapiens 24.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468762 312528116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315427 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H13F3N6O2/c19-14-11(18(16(20)21)10-4-13(10)29-17(23)27-18)3-9(7-25-14)26-15(28)12-2-1-8(5-22)6-24-12/h1-3,6-7,10,13,16H,4H2,(H2,23,27)(H,26,28)/t10-,13+,18-/m1/s1 BJQWCYLYPFJZBO-SBOFIZKASA-N 171441 US9085576, 75::US9611261, Example 75 Beta-secretase 1 Homo sapiens 165 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441919 312528117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315428 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 RQUKXRXQXUNQGZ-UCMVZMLTSA-N 171442 US9085576, 76::US9611261, Example 76 Beta-secretase 1 Homo sapiens 26.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468763 312528118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315429 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F3N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 UTTKUJQSCLBQAY-IOHHAYIISA-N 171443 US9085576, 77::US9611261, Example 77 Beta-secretase 1 Homo sapiens 26.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413009 312528119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315430 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C19H17F3N4O3/c1-28-9-2-4-13(24-7-9)17(27)25-12-5-3-11(21)15(16(12)22)19(8-20)10-6-14(10)29-18(23)26-19/h2-5,7,10,14H,6,8H2,1H3,(H2,23,26)(H,25,27)/t10-,14+,19-/m1/s1 UIOZLTMFHBMGQX-MPSXMAJESA-N 171444 US9085576, 78::US9611261, Example 78 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413136 312528120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315431 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17F3N4O3/c1-28-9-2-4-13(24-7-9)17(27)25-12-5-3-11(21)15(16(12)22)19(8-20)10-6-14(10)29-18(23)26-19/h2-5,7,10,14H,6,8H2,1H3,(H2,23,26)(H,25,27)/t10-,14+,19-/m0/s1 UIOZLTMFHBMGQX-UYJYQFFCSA-N 171445 US9085576, 79::US9611261, Example 79 Beta-secretase 1 Homo sapiens 3038.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412795 312528121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315432 COC[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C19H20FN5O4/c1-27-9-19(12-6-15(12)29-18(21)25-19)11-5-10(3-4-13(11)20)24-17(26)14-7-23-16(28-2)8-22-14/h3-5,7-8,12,15H,6,9H2,1-2H3,(H2,21,25)(H,24,26)/t12-,15+,19+/m0/s1 SETFYWBLMAPYOC-IOHHAYIISA-N 171446 US9085576, 80::US9611261, Example 80 Beta-secretase 1 Homo sapiens 7950 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412945 312528122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315433 COC[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C19H20FN5O4/c1-27-9-19(12-6-15(12)29-18(21)25-19)11-5-10(3-4-13(11)20)24-17(26)14-7-23-16(28-2)8-22-14/h3-5,7-8,12,15H,6,9H2,1-2H3,(H2,21,25)(H,24,26)/t12-,15+,19+/m1/s1 SETFYWBLMAPYOC-YFROIQMUSA-N 171447 US9085576, 81::US9611261, Example 81 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413499 312528123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315434 COC[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O3/c1-27-9-19(13-7-16(13)28-18(22)25-19)12-6-11(3-4-14(12)21)24-17(26)15-5-2-10(20)8-23-15/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m0/s1 GXROSWTYEZZKTJ-URKNILKWSA-N 171448 US9085576, 82::US9611261, Example 82 Beta-secretase 1 Homo sapiens 2740 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413130 312528124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315435 COC[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O3/c1-27-9-19(13-7-16(13)28-18(22)25-19)12-6-11(3-4-14(12)21)24-17(26)15-5-2-10(20)8-23-15/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m1/s1 GXROSWTYEZZKTJ-AZOIQLNYSA-N 171449 US9085576, 83::US9611261, Example 83 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412850 312528125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315436 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(OC)n1 InChI=1S/C19H18F3N5O4/c1-29-13-7-24-14(16(26-13)30-2)15(28)25-8-3-4-11(20)9(5-8)19(17(21)22)10-6-12(10)31-18(23)27-19/h3-5,7,10,12,17H,6H2,1-2H3,(H2,23,27)(H,25,28)/t10-,12+,19+/m0/s1 VPFCIXDIAXSRQV-KFHAODIQSA-N 171450 US9085576, 84::US9611261, Example 84 Beta-secretase 1 Homo sapiens 494.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413990 312528126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315437 COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(21)11(19)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m0/s1 XSIVJSIDWZNXQQ-ZWRLQWNWSA-N 171451 US9085576, 85::US9611261, Example 85 Beta-secretase 1 Homo sapiens 34 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413665 312528127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315438 COc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16ClF2N5O3/c1-30-15-2-9(6-24)7-26-17(15)18(29)27-10-3-12(16(23)13(21)4-10)20(8-22)11-5-14(11)31-19(25)28-20/h2-4,7,11,14H,5,8H2,1H3,(H2,25,28)(H,27,29)/t11-,14+,20-/m0/s1 RGLKMLHILRQODC-CJAGKMTESA-N 171452 US9085576, 86::US9611261, Example 86 Beta-secretase 1 Homo sapiens 75.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413171 312528128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315439 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(23)13(21)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 CQFCVBSGJPJBFS-CJAGKMTESA-N 171453 US9085576, 87::US9611261, Example 87 Beta-secretase 1 Homo sapiens 32.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413699 312528129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315440 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(Cl)c1F InChI=1S/C19H14ClF2N5O2/c20-13-4-10(26-17(28)14-2-1-9(6-23)7-25-14)3-12(16(13)22)19(8-21)11-5-15(11)29-18(24)27-19/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m0/s1 KECMMXQVOXZFSQ-CQOVVYFZSA-N 171454 US9085576, 88::US9611261, Example 88 Beta-secretase 1 Homo sapiens 29.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413537 312528130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315441 COc1cnc(C(=O)Nc2cc(Cl)c(F)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(C)n1 InChI=1S/C19H18ClF2N5O3/c1-8-16(24-6-14(25-8)29-2)17(28)26-9-3-11(15(22)12(20)4-9)19(7-21)10-5-13(10)30-18(23)27-19/h3-4,6,10,13H,5,7H2,1-2H3,(H2,23,27)(H,26,28)/t10-,13+,19-/m0/s1 FXGREOIXCKRWGW-VARDARPISA-N 171455 US9085576, 89::US9611261, Example 89 Beta-secretase 1 Homo sapiens 73.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413207 312528131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315442 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(Cl)c1F InChI=1S/C19H15ClF5N5O3/c20-11-2-8(29-16(31)12-4-28-14(5-27-12)32-7-19(23,24)25)1-10(15(11)22)18(6-21)9-3-13(9)33-17(26)30-18/h1-2,4-5,9,13H,3,6-7H2,(H2,26,30)(H,29,31)/t9-,13+,18-/m0/s1 ULUPDFZWAIOSAT-ZWRLQWNWSA-N 171456 US9085576, 90::US9611261, Example 90 Beta-secretase 1 Homo sapiens 13.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412200 312528132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315443 Cc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(23)14(21)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 XXRLDAKKJIBEPP-VHPWJVAPSA-N 171457 US9085576, 91::US9611261, Example 91 Beta-secretase 1 Homo sapiens 50.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413082 312528133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315444 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 INIRAFGCTHHCSF-VZSAFFHGSA-N 171458 US9085576, 92::US9611261, Example 92 Beta-secretase 1 Homo sapiens 17050 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414625 312528134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315445 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 PZRUBQJUGSTHNP-IOHHAYIISA-N 171459 US9085576, 93::US9085576, 98::US9611261, Example 98 Beta-secretase 1 Homo sapiens 19.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468764 312528135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315446 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 PZRUBQJUGSTHNP-YFROIQMUSA-N 171460 US9085576, 94::US9611261, Example 94 Beta-secretase 1 Homo sapiens 31911 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412842 312528136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315447 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H16F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 FYACCYJZRVOAOP-PGICJIBASA-N 171461 US9085576, 95::US9611261, Example 95 Beta-secretase 1 Homo sapiens 3.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77846098 312528137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315448 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F3N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1 MONRTDLDYBUIBO-CQURBHOASA-N 171462 US9085576, 96::US9611261, Example 96 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413118 312528138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315449 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 INIRAFGCTHHCSF-UCMVZMLTSA-N 171463 US9085576, 97::US9085576, 99::US9611261, Example 99 Beta-secretase 1 Homo sapiens 37.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468765 312528139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315450 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 PZRUBQJUGSTHNP-IOHHAYIISA-N 171459 US9085576, 93::US9085576, 98::US9611261, Example 98 Beta-secretase 1 Homo sapiens 44.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468764 312528135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315451 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 INIRAFGCTHHCSF-UCMVZMLTSA-N 171463 US9085576, 97::US9085576, 99::US9611261, Example 99 Beta-secretase 1 Homo sapiens 22.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468765 312528139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315452 COc1ccc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17ClF2N4O3/c1-28-10-3-5-14(24-8-10)16(27)25-9-2-4-13(20)11(6-9)19(17(21)22)12-7-15(12)29-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 NVJYNLHCMQRHMY-IOHHAYIISA-N 171466 US9085576, 100::US9611261, Example 100 Beta-secretase 1 Homo sapiens 61.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412908 312528140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315453 COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C20H19ClF2N4O3/c1-9-5-11(29-2)8-25-16(9)17(28)26-10-3-4-14(21)12(6-10)20(18(22)23)13-7-15(13)30-19(24)27-20/h3-6,8,13,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 QLVMNEQLYPHVMA-XBHMSOGKSA-N 171467 US9085576, 101::US9611261, Example 101 Beta-secretase 1 Homo sapiens 97.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412765 312528141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315454 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cocn3)cn2)ccc1Cl InChI=1S/C21H17ClF2N6O4/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)34-20(25)30-21)29-18(31)15-5-27-17(6-26-15)33-8-11-7-32-9-28-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 NREWQVSXVYBIHS-CQURBHOASA-N 171468 US9085576, 102::US9611261, Example 102 Beta-secretase 1 Homo sapiens 35.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468766 312528142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315455 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O3/c1-28-9-6-23-14(24-7-9)15(27)25-8-2-3-12(19)10(4-8)18(16(20)21)11-5-13(11)29-17(22)26-18/h2-4,6-7,11,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t11-,13+,18+/m0/s1 FQXRTMWBWLXZSZ-WHWRDJHUSA-N 171469 US9085576, 103::US9611261, Example 103 Beta-secretase 1 Homo sapiens 121.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412694 312528143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315456 COc1cnc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16ClF2N5O3/c1-28-9-6-23-14(24-7-9)15(27)25-8-2-3-12(19)10(4-8)18(16(20)21)11-5-13(11)29-17(22)26-18/h2-4,6-7,11,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t11-,13+,18+/m0/s1 VIVKCZYKKIXBRZ-WHWRDJHUSA-N 171470 US9085576, 104::US9611261, Example 104 Beta-secretase 1 Homo sapiens 87.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412634 312528144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315457 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-3-11(22-6-8)15(26)24-13-4-2-10(20)14(23-13)17(7-19)9-5-12(9)27-16(21)25-17/h1-4,6,9,12H,5,7H2,(H2,21,25)(H,23,24,26)/t9-,12+,17-/m1/s1 MELWCFRTFXQYNP-CIBPLQMKSA-N 171471 US9085576, 105::US9611261, Example 105 Beta-secretase 1 Homo sapiens 39340 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414089 312528145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315458 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-3-11(22-6-8)15(26)24-13-4-2-10(20)14(23-13)17(7-19)9-5-12(9)27-16(21)25-17/h1-4,6,9,12H,5,7H2,(H2,21,25)(H,23,24,26)/t9-,12+,17-/m0/s1 MELWCFRTFXQYNP-WUDNQAJYSA-N 171472 US9085576, 106::US9611261, Example 106 Beta-secretase 1 Homo sapiens 252 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414882 312528146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315459 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H13ClF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m0/s1 VSAHBSNDLPIUOA-ZWRLQWNWSA-N 171473 US9085576, 107::US9611261, Example 107 Beta-secretase 1 Homo sapiens 19.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413600 312528147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315460 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H13ClF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m1/s1 VSAHBSNDLPIUOA-AKCUIXRJSA-N 171474 US9085576, 108::US9611261, Example 108 Beta-secretase 1 Homo sapiens 10365 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412759 312528148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315461 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H13F4N5O2/c20-12-4-9(27-16(29)13-2-1-8(6-24)7-26-13)3-11(15(12)21)19(17(22)23)10-5-14(10)30-18(25)28-19/h1-4,7,10,14,17H,5H2,(H2,25,28)(H,27,29)/t10-,14+,19-/m1/s1 BREAXXVTPIAXDB-MPSXMAJESA-N 171475 US9085576, 109::US9611261, Example 109 Beta-secretase 1 Homo sapiens 12050 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441921 312528149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315462 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/m1/s1 BVHNKBRBVUXFFK-HBVUFABXSA-N 171476 US9085576, 110::US9611261, Example 110 Beta-secretase 1 Homo sapiens 26194 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441922 312528150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315463 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H15F4N5O3/c1-2-3-31-15-8-26-13(7-27-15)17(30)28-9-4-11(16(22)12(21)5-9)20(18(23)24)10-6-14(10)32-19(25)29-20/h1,4-5,7-8,10,14,18H,3,6H2,(H2,25,29)(H,28,30)/t10-,14+,20-/m0/s1 QWKKSXTZIMZFAW-NOPHNCEQSA-N 171477 US9085576, 111::US9085576, 115::US9611261, Example 115 Beta-secretase 1 Homo sapiens 6505 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401165 312528151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315464 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H15F4N5O3/c1-29-13-6-24-11(5-25-13)15(28)26-7-2-9(14(20)10(19)3-7)18(16(21)22)8-4-12(8)30-17(23)27-18/h2-3,5-6,8,12,16H,4H2,1H3,(H2,23,27)(H,26,28)/t8-,12+,18-/m0/s1 JYCICRWMWYJLLL-SAROORQHSA-N 171478 US9085576, 112::US9611261, Example 112 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401354 312528152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315465 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H13F4N5O2/c20-12-4-9(27-16(29)13-2-1-8(6-24)7-26-13)3-11(15(12)21)19(17(22)23)10-5-14(10)30-18(25)28-19/h1-4,7,10,14,17H,5H2,(H2,25,28)(H,27,29)/t10-,14+,19-/m0/s1 BREAXXVTPIAXDB-UYJYQFFCSA-N 171479 US9085576, 113::US9611261, Example 113 Beta-secretase 1 Homo sapiens 27.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468826 312528153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315466 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/m0/s1 BVHNKBRBVUXFFK-IGCJTQIZSA-N 171480 US9085576, 114::US9611261, Example 114 Beta-secretase 1 Homo sapiens 9.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413403 312528154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315467 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H15F4N5O3/c1-2-3-31-15-8-26-13(7-27-15)17(30)28-9-4-11(16(22)12(21)5-9)20(18(23)24)10-6-14(10)32-19(25)29-20/h1,4-5,7-8,10,14,18H,3,6H2,(H2,25,29)(H,28,30)/t10-,14+,20-/m0/s1 QWKKSXTZIMZFAW-NOPHNCEQSA-N 171477 US9085576, 111::US9085576, 115::US9611261, Example 115 Beta-secretase 1 Homo sapiens 2.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401165 312528151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315468 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H13BrF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m0/s1 PWZBFAHIRUDGKN-ZWRLQWNWSA-N 171482 US9085576, 116::US9611261, Example 116 Beta-secretase 1 Homo sapiens 18.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415722 312528155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315469 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF2N4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(21)11(5-10)18(8-20)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 QRSZQDAJIBKJOD-WBHUJUFNSA-N 171483 US9085576, 117::US9611261, Example 117 Beta-secretase 1 Homo sapiens 21.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468827 312528156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312252 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 QQOKHWYWSYNBSI-IBGZPJMESA-N 210091 US9270353, 50 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547856 329586318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312253 NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1)C(F)(F)F InChI=1S/C19H16F3N5O2S/c1-2-7-29-15-11-24-14(10-25-15)16(28)26-13-5-3-4-12(9-13)18(19(20,21)22)6-8-30-17(23)27-18/h1,3-5,9-11H,6-8H2,(H2,23,27)(H,26,28) KBMYLPCBXGFVLB-UHFFFAOYSA-N 210090 US9270353, 49 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909980 329586317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312254 C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C18H16N6OS/c1-11-6-18(2,24-17(20)26-11)13-5-14(10-21-9-13)23-16(25)15-4-3-12(7-19)8-22-15/h3-5,8-10H,1,6H2,2H3,(H2,20,24)(H,23,25)/t18-/m0/s1 OMLZBEBDBZKONL-SFHVURJKSA-N 210126 US9270353, 105 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254177 329586336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312255 Cc1ncc(NC(=O)c2ccc(cn2)C#N)cc1[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C19H18N6OS/c1-11-7-19(3,25-18(21)27-11)15-6-14(10-22-12(15)2)24-17(26)16-5-4-13(8-20)9-23-16/h4-6,9-10H,1,7H2,2-3H3,(H2,21,25)(H,24,26)/t19-/m0/s1 NJBVRLDZHOHVRB-IBGZPJMESA-N 210125 US9270353, 103 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254200 329586335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312256 CN(C)C\C(C)=C1\C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H25FN6OS/c1-14(13-30(3)4)20-10-23(2,29-22(26)32-20)17-9-16(6-7-18(17)24)28-21(31)19-8-5-15(11-25)12-27-19/h5-9,12H,10,13H2,1-4H3,(H2,26,29)(H,28,31)/b20-14-/t23-/m0/s1 NGJDPXNIQSSZNY-CBIIRDDDSA-N 210124 US9270353, 100 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254156 329586334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312257 C\C(CN1CCCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H27FN6OS/c1-16(15-32-9-3-4-10-32)22-12-25(2,31-24(28)34-22)19-11-18(6-7-20(19)26)30-23(33)21-8-5-17(13-27)14-29-21/h5-8,11,14H,3-4,9-10,12,15H2,1-2H3,(H2,28,31)(H,30,33)/b22-16-/t25-/m0/s1 ASVKJLBLFIQRDJ-YVVITCHPSA-N 210123 US9270353, 98 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254199 329586333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312258 C\C(CN1CCC(F)(F)C1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H25F3N6OS/c1-15(13-34-8-7-25(27,28)14-34)21-10-24(2,33-23(30)36-21)18-9-17(4-5-19(18)26)32-22(35)20-6-3-16(11-29)12-31-20/h3-6,9,12H,7-8,10,13-14H2,1-2H3,(H2,30,33)(H,32,35)/b21-15-/t24-/m0/s1 GDQNPMJDXVAIMZ-VNSJDZJPSA-N 210122 US9270353, 97 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254155 329586332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312259 C\C(CN1CCOCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H27FN6O2S/c1-16(15-32-7-9-34-10-8-32)22-12-25(2,31-24(28)35-22)19-11-18(4-5-20(19)26)30-23(33)21-6-3-17(13-27)14-29-21/h3-6,11,14H,7-10,12,15H2,1-2H3,(H2,28,31)(H,30,33)/b22-16-/t25-/m0/s1 XDJPNAWAYIJLKT-YVVITCHPSA-N 210121 US9270353, 96 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254049 329586331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312260 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1Cl InChI=1S/C18H15ClN6OS/c1-10-6-18(2,25-17(21)27-10)13-5-12(9-23-15(13)19)24-16(26)14-4-3-11(7-20)8-22-14/h3-5,8-9H,1,6H2,2H3,(H2,21,25)(H,24,26)/t18-/m0/s1 MFNJXWNDOOLUSR-SFHVURJKSA-N 210120 US9270353, 95 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909928 329586330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312261 C\C(C(F)F)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5OS/c1-11(18(23)24)17-8-21(2,29-20(26)31-17)14-7-13(4-5-15(14)22)28-19(30)16-6-3-12(9-25)10-27-16/h3-7,10,18H,8H2,1-2H3,(H2,26,29)(H,28,30)/b17-11-/t21-/m0/s1 BNKYNHFFUMDRDH-LRJKXPEMSA-N 210119 US9270353, 94 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254096 329586329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312262 C\C(CO)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20FN5O2S/c1-12(11-28)18-8-21(2,27-20(24)30-18)15-7-14(4-5-16(15)22)26-19(29)17-6-3-13(9-23)10-25-17/h3-7,10,28H,8,11H2,1-2H3,(H2,24,27)(H,26,29)/b18-12-/t21-/m0/s1 QGRKLAKCYDGEBP-CNEDASOKSA-N 210110 US9270353, 85 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254174 329586328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312263 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F InChI=1S/C18H13F2N5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-13(12)19)24-16(26)15-14(20)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 JOEHIBRWNFEIQF-SFHVURJKSA-N 210109 US9270353, 84 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254046 329586327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312264 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F InChI=1S/C16H13ClFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1 XCAZAGTZQZZAAR-INIZCTEOSA-N 210106 US9270353, 80 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254197 329586326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312265 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F InChI=1S/C17H13FN6OS/c1-17(4-5-26-16(20)24-17)12-6-11(2-3-13(12)18)23-15(25)14-21-8-10(7-19)9-22-14/h2-6,8-9H,1H3,(H2,20,24)(H,23,25)/t17-/m0/s1 ISJLVXCWDQHGNL-KRWDZBQOSA-N 210105 US9270353, 78 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254097 329586325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312266 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C17H13F3N4OS/c1-17(4-5-26-16(21)24-17)11-7-10(2-3-12(11)19)23-15(25)14-13(20)6-9(18)8-22-14/h2-8H,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1 GNKLXNBDNPJBLW-KRWDZBQOSA-N 210104 US9270353, 77 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242156 329586324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312267 Cc1ncn(n1)-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C19H17FN8OS/c1-11-24-10-28(27-11)16-9-22-15(8-23-16)17(29)25-12-3-4-14(20)13(7-12)19(2)5-6-30-18(21)26-19/h3-10H,1-2H3,(H2,21,26)(H,25,29)/t19-/m0/s1 AYTGJRHQNUQSNB-IBGZPJMESA-N 210103 US9270353, 74 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254196 329586323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312268 NC1=NC(CS1)(c1ccc(OC(F)(F)F)cc1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C22H15Cl2F3N4O2S/c23-14-9-17(24)18(29-10-14)19(32)30-15-3-1-2-13(8-15)21(11-34-20(28)31-21)12-4-6-16(7-5-12)33-22(25,26)27/h1-10H,11H2,(H2,28,31)(H,30,32) MPYZVGWCXUSUOJ-UHFFFAOYSA-N 210095 US9270353, 57 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254044 329586322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312269 CC(C)(O)\C=C1\C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H22FN5O2S/c1-21(2,30)9-15-10-22(3,28-20(25)31-15)16-8-14(5-6-17(16)23)27-19(29)18-7-4-13(11-24)12-26-18/h4-9,12,30H,10H2,1-3H3,(H2,25,28)(H,27,29)/b15-9-/t22-/m0/s1 VFKPCIBPVPIWMS-BQEXRTDESA-N 210094 US9270353, 55 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254078 329586321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312270 C[C@]1(C\C(SC(N)=N1)=C\CO)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18FN5O2S/c1-20(9-14(6-7-27)29-19(23)26-20)15-8-13(3-4-16(15)21)25-18(28)17-5-2-12(10-22)11-24-17/h2-6,8,11,27H,7,9H2,1H3,(H2,23,26)(H,25,28)/b14-6-/t20-/m0/s1 YTNNKADBLOXZMC-ROUPCDGVSA-N 210093 US9270353, 54 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547857 329586320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312271 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2FN4OS/c1-9-7-18(2,25-17(22)27-9)12-6-11(3-4-14(12)21)24-16(26)15-13(20)5-10(19)8-23-15/h3-6,8H,1,7H2,2H3,(H2,22,25)(H,24,26)/t18-/m0/s1 KJINIJVBPQMYMS-SFHVURJKSA-N 210092 US9270353, 52 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254045 329586319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312272 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 QQOKHWYWSYNBSI-IBGZPJMESA-N 210091 US9270353, 50 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547856 329586318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312273 NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1)C(F)(F)F InChI=1S/C19H16F3N5O2S/c1-2-7-29-15-11-24-14(10-25-15)16(28)26-13-5-3-4-12(9-13)18(19(20,21)22)6-8-30-17(23)27-18/h1,3-5,9-11H,6-8H2,(H2,23,27)(H,26,28) KBMYLPCBXGFVLB-UHFFFAOYSA-N 210090 US9270353, 49 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909980 329586317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312274 NC1=NC(CCS1)(c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1)C(F)(F)F InChI=1S/C17H13Cl2F3N4OS/c18-10-7-12(19)13(24-8-10)14(27)25-11-3-1-2-9(6-11)16(17(20,21)22)4-5-28-15(23)26-16/h1-3,6-8H,4-5H2,(H2,23,26)(H,25,27) MTLJWYJGDVLCRQ-UHFFFAOYSA-N 210089 US9270353, 45 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254169 329586316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312275 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)c(N)n1 InChI=1S/C17H17FN6O2S/c1-17(5-6-27-16(20)24-17)10-7-9(3-4-11(10)18)22-15(25)13-14(19)23-12(26-2)8-21-13/h3-8H,1-2H3,(H2,19,23)(H2,20,24)(H,22,25)/t17-/m0/s1 LLCGVXOZGVNYGB-KRWDZBQOSA-N 210084 US9270353, 37 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210084&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254075 329586315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312276 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccc[nH]2)ccc1F 210083 US9270353, 36 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210083&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547855 329586314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312277 COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C19H20FN5O3S/c1-19(5-8-29-18(21)25-19)13-9-12(3-4-14(13)20)24-17(26)15-10-23-16(11-22-15)28-7-6-27-2/h3-5,8-11H,6-7H2,1-2H3,(H2,21,25)(H,24,26)/t19-/m0/s1 HTPXGQXZZGOILE-IBGZPJMESA-N 210081 US9270353, 34 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210081&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254074 329586312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312278 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(OCCF)cn2)ccc1F InChI=1S/C19H18F2N4O2S/c1-19(6-9-28-18(22)25-19)14-10-12(2-4-15(14)21)24-17(26)16-5-3-13(11-23-16)27-8-7-20/h2-6,9-11H,7-8H2,1H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LHHOGWNCFIQLHU-IBGZPJMESA-N 210080 US9270353, 32 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210080&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909964 329586311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312279 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F InChI=1S/C18H17F2N5O2S/c1-18(4-7-28-17(21)25-18)12-8-11(2-3-13(12)20)24-16(26)14-9-23-15(10-22-14)27-6-5-19/h2-4,7-10H,5-6H2,1H3,(H2,21,25)(H,24,26)/t18-/m0/s1 VDCXYVUPUBQOBQ-SFHVURJKSA-N 210079 US9270353, 31 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210079&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909946 329586310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312280 C[C@]1(C=CSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#C)c1 InChI=1S/C19H16N4OS/c1-3-13-7-8-16(21-12-13)17(24)22-15-6-4-5-14(11-15)19(2)9-10-25-18(20)23-19/h1,4-12H,2H3,(H2,20,23)(H,22,24)/t19-/m0/s1 DZIZPZQLUQEUDG-IBGZPJMESA-N 210926 US9270353, 30 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124081247 329586889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312281 C[C@]1(C=CSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 InChI=1S/C19H17N5O2S/c1-3-8-26-16-12-21-15(11-22-16)17(25)23-14-6-4-5-13(10-14)19(2)7-9-27-18(20)24-19/h1,4-7,9-12H,8H2,2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 NHQLXBRSWMNBEX-IBGZPJMESA-N 210077 US9270353, 29 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210077&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909963 329586309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312282 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C17H17N5O2S/c1-17(6-7-25-16(18)22-17)11-4-3-5-12(8-11)21-15(23)13-9-20-14(24-2)10-19-13/h3-10H,1-2H3,(H2,18,22)(H,21,23)/t17-/m0/s1 RXXOKJUGADSMCA-KRWDZBQOSA-N 210076 US9270353, 28 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210076&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547853 329586308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312283 CC1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-8,10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 FNHKMHJZLGGOIE-IBGZPJMESA-N 210075 US9270353, 27 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210075&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242159 329586307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312284 CC1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(cn2)C#N)ccc1F InChI=1S/C18H15FN6OS/c1-10-6-18(2,25-17(21)27-10)13-5-11(3-4-14(13)19)24-16(26)15-9-22-12(7-20)8-23-15/h3-6,8-9H,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1 YQSNBBODGPCIPF-SFHVURJKSA-N 210925 US9270353, 26 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124081246 329586888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312285 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(C)SC(N)=N1 InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 RLQMKTAVJXYGAF-SFHVURJKSA-N 210073 US9270353, 25 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210073&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254166 329586306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312286 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)c1ccccc1 InChI=1S/C23H20FN5OS/c1-14-12-27-19(13-26-14)21(30)28-16-8-9-18(24)17(10-16)23(2)11-20(31-22(25)29-23)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,25,29)(H,28,30)/t23-/m0/s1 OLFXLHSPPFFGGF-QHCPKHFHSA-N 210072 US9270353, 19 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951028 329586305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312287 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)c1ccccc1 InChI=1S/C23H20FN5O2S/c1-23(11-19(32-22(25)29-23)14-6-4-3-5-7-14)16-10-15(8-9-17(16)24)28-21(30)18-12-27-20(31-2)13-26-18/h3-13H,1-2H3,(H2,25,29)(H,28,30)/t23-/m0/s1 KHLGRYHGOYXZND-QHCPKHFHSA-N 210071 US9270353, 18 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210071&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254163 329586304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312288 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VLLFGVHGKLDDLW-SFHVURJKSA-N 210070 US9270353, 17 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H3C 7DCZ 68254185 329586303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312289 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 PRRHDZGJWFVLLQ-KRWDZBQOSA-N 116274 US8637504, 16::US9270353, 16::US9650371, 16 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44596001 199996658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312290 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C16H15FN4O2S/c1-9-19-13(8-23-9)14(22)20-10-3-4-12(17)11(7-10)16(2)5-6-24-15(18)21-16/h3-8H,1-2H3,(H2,18,21)(H,20,22)/t16-/m0/s1 YJMUSTVPQYDHGO-INIZCTEOSA-N 210069 US9270353, 15 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210069&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254184 329586302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312291 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C19H16FN5O2S/c1-3-7-27-16-11-22-15(10-23-16)17(26)24-12-4-5-14(20)13(9-12)19(2)6-8-28-18(21)25-19/h1,4-6,8-11H,7H2,2H3,(H2,21,25)(H,24,26)/t19-/m0/s1 UFWHGSGAABHMAI-IBGZPJMESA-N 210068 US9270353, 14 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547702 329586301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312292 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C17H16FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 ZKYGEVYKGMFLJI-KRWDZBQOSA-N 210067 US9270353, 13 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547701 329586300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312293 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C17H16FN5OS/c1-10-8-21-14(9-20-10)15(24)22-11-3-4-13(18)12(7-11)17(2)5-6-25-16(19)23-17/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 MMXJQTHNGSUJMR-KRWDZBQOSA-N 210066 US9270353, 12 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547700 329586299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312294 COc1ccc(cc1)C1(CSC(N)=N1)c1cccc(NC(=O)c2cnc(O)cn2)c1 InChI=1S/C21H19N5O3S/c1-29-16-7-5-13(6-8-16)21(12-30-20(22)26-21)14-3-2-4-15(9-14)25-19(28)17-10-24-18(27)11-23-17/h2-11H,12H2,1H3,(H2,22,26)(H,24,27)(H,25,28) OFECGOSPXBXLBN-UHFFFAOYSA-N 210059 US9270353, 5 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547553 329586298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312295 COc1ccc(cc1)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C22H18Cl2N4O2S/c1-30-17-7-5-13(6-8-17)22(12-31-21(25)28-22)14-3-2-4-16(9-14)27-20(29)19-18(24)10-15(23)11-26-19/h2-11H,12H2,1H3,(H2,25,28)(H,27,29) GMISMHJPBMSIFP-UHFFFAOYSA-N 210058 US9270353, 4 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242151 329586297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 312296 COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 InChI=1S/C23H29N5O3S/c1-30-10-11-31-20-14-25-19(13-26-20)21(29)27-18-9-5-8-17(12-18)23(15-32-22(24)28-23)16-6-3-2-4-7-16/h5,8-9,12-14,16H,2-4,6-7,10-11,15H2,1H3,(H2,24,28)(H,27,29) SSHRPNDNYRUACY-UHFFFAOYSA-N 210924 US9270353, 1 Beta-secretase 1 Homo sapiens <1000 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547549 329586887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315470 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF2N4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(21)11(5-10)18(8-20)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 QRSZQDAJIBKJOD-MRAWALMUSA-N 171484 US9085576, 118::US9611261, Example 118 Beta-secretase 1 Homo sapiens 1560 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412844 312528157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315471 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F InChI=1S/C17H13ClF3N5O2/c18-7-5-23-13(24-6-7)14(27)25-8-1-2-11(19)9(3-8)17(15(20)21)10-4-12(10)28-16(22)26-17/h1-3,5-6,10,12,15H,4H2,(H2,22,26)(H,25,27)/t10-,12+,17+/m0/s1 UBAVZYVTYLAJHH-GSDQYQHOSA-N 171485 US9085576, 119::US9611261, Example 119 Beta-secretase 1 Homo sapiens 55.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412664 312528158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315472 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F6N5O3/c1-8-15(28-6-14(29-8)33-7-19(24,25)26)16(32)30-9-2-3-12(21)10(4-9)20(17(22)23)11-5-13(11)34-18(27)31-20/h2-4,6,11,13,17H,5,7H2,1H3,(H2,27,31)(H,30,32)/t11-,13+,20+/m0/s1 XYBCEBFUBZYFCK-SZZPBAKOSA-N 171486 US9085576, 120::US9611261, Example 120 Beta-secretase 1 Homo sapiens 50 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412843 312528159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315473 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16F4N4O3/c1-29-9-2-3-13(25-7-9)16(28)26-8-4-11(15(21)12(20)5-8)19(17(22)23)10-6-14(10)30-18(24)27-19/h2-5,7,10,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t10-,14+,19-/m0/s1 HVCZGNSWVDCRHX-UYJYQFFCSA-N 171487 US9085576, 121::US9611261, Example 121 Beta-secretase 1 Homo sapiens 83.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441923 312528160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315474 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O2/c1-9-4-10(17(23)24)7-26-16(9)18(29)27-11-2-3-14(21)12(5-11)20(8-22)13-6-15(13)30-19(25)28-20/h2-5,7,13,15,17H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 BWKREBLHLQEZAU-XBHMSOGKSA-N 171488 US9085576, 122::US9611261, Example 122 Beta-secretase 1 Homo sapiens 99 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415313 312528161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315475 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1 OJWJKXCEPPILPQ-SZEPBZDZSA-N 171396 US9085576, 123::US9085576, 30::US9611261, Example 123 Beta-secretase 1 Homo sapiens 30.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413687 312528077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315476 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m1/s1 OJWJKXCEPPILPQ-CILWKZBWSA-N 171490 US9085576, 124::US9611261, Example 124 Beta-secretase 1 Homo sapiens 3530 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412250 312528162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315477 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)(F)F InChI=1S/C20H17ClF4N4O2/c1-9-4-10(20(23,24)25)7-27-16(9)17(30)28-11-2-3-14(21)12(5-11)19(8-22)13-6-15(13)31-18(26)29-19/h2-5,7,13,15H,6,8H2,1H3,(H2,26,29)(H,28,30)/t13-,15+,19+/m0/s1 WPDAFODUDSMVBA-ZBQZNYHESA-N 171491 US9085576, 125::US9611261, Example 125 Beta-secretase 1 Homo sapiens 80.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412383 312528163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315478 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H18ClF3N4O3/c1-9-4-11(30-18(23)24)7-26-16(9)17(29)27-10-2-3-14(21)12(5-10)20(8-22)13-6-15(13)31-19(25)28-20/h2-5,7,13,15,18H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 DYASWFLGSYONEJ-XBHMSOGKSA-N 171492 US9085576, 126::US9611261, Example 126 Beta-secretase 1 Homo sapiens 83.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412825 312528164 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315479 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1Cl InChI=1S/C19H14Cl2FN5O2/c20-13-2-1-10(26-17(28)16-14(21)3-9(6-23)7-25-16)4-11(13)19(8-22)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 XAYBMKLFEOTIGM-IOHHAYIISA-N 171493 US9085576, 127::US9611261, Example 127 Beta-secretase 1 Homo sapiens 39.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468828 312528165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315480 COCc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H19Cl2FN4O3/c1-29-8-10-4-11(21)7-25-17(10)18(28)26-12-2-3-15(22)13(5-12)20(9-23)14-6-16(14)30-19(24)27-20/h2-5,7,14,16H,6,8-9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 LZWATJWWYVAWCP-YYFZDKIDSA-N 171494 US9085576, 128::US9611261, Example 128 Beta-secretase 1 Homo sapiens 50.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413211 312528166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315481 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C18H13ClF4N4O2/c19-7-3-12(21)14(25-6-7)15(28)26-8-1-2-11(20)9(4-8)18(16(22)23)10-5-13(10)29-17(24)27-18/h1-4,6,10,13,16H,5H2,(H2,24,27)(H,26,28)/t10-,13+,18+/m0/s1 AHHFKZDNWUAGLE-CRPGXEFLSA-N 171495 US9085576, 129::US9611261, Example 129 Beta-secretase 1 Homo sapiens 38.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468829 312528167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315482 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O3/c1-28-10-3-5-14(24-8-10)16(27)25-9-2-4-13(20)11(6-9)19(17(21)22)12-7-15(12)29-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 MRTVBAOMYWLZQJ-IOHHAYIISA-N 171496 US9085576, 130::US9611261, Example 130 Beta-secretase 1 Homo sapiens 84.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412791 312528168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315483 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C20H19F3N4O3/c1-9-5-11(29-2)8-25-16(9)17(28)26-10-3-4-14(21)12(6-10)20(18(22)23)13-7-15(13)30-19(24)27-20/h3-6,8,13,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 CWHLNKKSMBPWPJ-XBHMSOGKSA-N 171497 US9085576, 131::US9611261, Example 131 Beta-secretase 1 Homo sapiens 185 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413583 312528169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315484 Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F3N5O2/c1-9-4-12(28-18(30)17-10(2)3-11(7-25)8-27-17)5-14(16(9)22)21(19(23)24)13-6-15(13)31-20(26)29-21/h3-5,8,13,15,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,15+,21-/m0/s1 IHAUPMSNDMWWEF-KUUHDYPXSA-N 171498 US9085576, 132::US9611261, Example 132 Beta-secretase 1 Homo sapiens 21.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468830 312528170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315485 Cc1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H15ClF3N5O2/c1-8-2-10(28-17(30)16-13(21)3-9(6-25)7-27-16)4-12(15(8)22)20(18(23)24)11-5-14(11)31-19(26)29-20/h2-4,7,11,14,18H,5H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 XYFKLLZZEBOPKP-CJAGKMTESA-N 171499 US9085576, 133::US9611261, Example 133 Beta-secretase 1 Homo sapiens 23 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468831 312528171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315486 COc1cc(Cl)cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O3/c1-8-3-10(27-17(29)16-14(30-2)4-9(21)7-26-16)5-12(15(8)22)20(18(23)24)11-6-13(11)31-19(25)28-20/h3-5,7,11,13,18H,6H2,1-2H3,(H2,25,28)(H,27,29)/t11-,13+,20-/m0/s1 PGSQMMRUTGLWGT-SCLGINMFSA-N 171500 US9085576, 134::US9611261, Example 134 Beta-secretase 1 Homo sapiens 130.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412949 312528172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315487 Cc1cc(NC(=O)c2ncc(Cl)cc2Cl)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H15Cl2F3N4O2/c1-7-2-9(27-16(29)15-12(21)3-8(20)6-26-15)4-11(14(7)22)19(17(23)24)10-5-13(10)30-18(25)28-19/h2-4,6,10,13,17H,5H2,1H3,(H2,25,28)(H,27,29)/t10-,13+,19-/m0/s1 SLUPOLSOVKJKSO-VARDARPISA-N 171501 US9085576, 135::US9611261, Example 135 Beta-secretase 1 Homo sapiens 25.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413435 312528173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315488 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl InChI=1S/C19H14ClF2N5O2/c20-16-12(19(8-21)11-5-15(11)29-18(24)27-19)3-10(4-13(16)22)26-17(28)14-2-1-9(6-23)7-25-14/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m1/s1 VXUGCTBQDBUYCT-VZMUKZCBSA-N 171502 US9085576, 136::US9611261, Example 136 Beta-secretase 1 Homo sapiens 119.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441924 312528174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315489 Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(21)14(23)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m1/s1 UUGSFTBWCHIUCH-UFAGZECESA-N 171503 US9085576, 137::US9085576, 139::US9611261, Example 139 Beta-secretase 1 Homo sapiens 44.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413617 312528175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315490 Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(21)14(23)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 UUGSFTBWCHIUCH-VHPWJVAPSA-N 171504 US9085576, 138::US9611261, Example 138 Beta-secretase 1 Homo sapiens 36.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411972 312528176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315491 Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(21)14(23)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m1/s1 UUGSFTBWCHIUCH-UFAGZECESA-N 171503 US9085576, 137::US9085576, 139::US9611261, Example 139 Beta-secretase 1 Homo sapiens 14250 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413617 312528175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315492 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1Cl InChI=1S/C21H17ClF2N4O3/c1-2-5-30-12-3-4-16(26-9-12)19(29)27-11-6-14(18(22)15(24)7-11)21(10-23)13-8-17(13)31-20(25)28-21/h1,3-4,6-7,9,13,17H,5,8,10H2,(H2,25,28)(H,27,29)/t13-,17+,21-/m1/s1 BWHXRUGMGCQMEW-GQNMWPQZSA-N 171506 US9085576, 140 Beta-secretase 1 Homo sapiens 6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796783 312528177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315493 CSc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O2S/c1-29-16-12(19(8-21)11-6-15(11)28-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 AQOYJMGEOGYHLT-CQOVVYFZSA-N 171507 US9085576, 141 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796784 312528178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315494 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m0/s1 DDSXLJNBGIUGBD-LWGAZXOISA-N 171414 US9085576, 142::US9085576, 48::US9611261, Example 48 Beta-secretase 1 Homo sapiens 97.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413581 312528094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315495 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H16F3N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(21)11(20)3-8)18(7-19)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m0/s1 HXZDBWWTIYCNMJ-ZWRLQWNWSA-N 171509 US9085576, 143::US9611261, Example 143 Beta-secretase 1 Homo sapiens 125 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90416108 312528179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315496 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H16F3N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(21)11(20)3-8)18(7-19)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m1/s1 HXZDBWWTIYCNMJ-AKCUIXRJSA-N 171510 US9085576, 144::US9611261, Example 144 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413785 312528180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315497 COc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O3/c1-28-16-12(19(8-21)11-6-15(11)29-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 NOYKSAYHCYSSCZ-CQOVVYFZSA-N 171511 US9085576, 145::US9611261, Example 145 Beta-secretase 1 Homo sapiens 153 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412901 312528181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315498 COc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C19H17ClF2N4O3/c1-28-16-12(19(8-21)11-6-15(11)29-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m1/s1 NOYKSAYHCYSSCZ-VZMUKZCBSA-N 171512 US9085576, 146::US9611261, Example 146 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414897 312528182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315499 CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H20F3N5O3/c1-9(2)30-16-8-25-14(7-26-16)17(29)27-10-3-4-13(21)11(5-10)20(18(22)23)12-6-15(12)31-19(24)28-20/h3-5,7-9,12,15,18H,6H2,1-2H3,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 MCEGGIMKRBWGNC-PGICJIBASA-N 171513 US9085576, 147::US9611261, Example 147 Beta-secretase 1 Homo sapiens 731.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413319 312528183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315500 C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13+,16-,21-/m1/s1 JHAMOFBHPBZXSW-ZDDLIGRPSA-N 171514 US9085576, 148::US9611261, Example 148 Beta-secretase 1 Homo sapiens 195 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414443 312528184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315501 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2csc(n2)C(F)F)ccc1F InChI=1S/C17H13F5N4O2S/c18-9-2-1-6(24-13(27)10-5-29-14(25-10)12(19)20)3-7(9)17(15(21)22)8-4-11(8)28-16(23)26-17/h1-3,5,8,11-12,15H,4H2,(H2,23,26)(H,24,27)/t8-,11+,17+/m0/s1 QDHSVFNSCJPDEW-UISHXFLQSA-N 171515 US9085576, 149::US9611261, Example 149 Beta-secretase 1 Homo sapiens 194.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413161 312528185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315502 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C17H13F5N4O3/c18-9-2-1-6(24-13(27)10-5-28-14(25-10)12(19)20)3-7(9)17(15(21)22)8-4-11(8)29-16(23)26-17/h1-3,5,8,11-12,15H,4H2,(H2,23,26)(H,24,27)/t8-,11+,17+/m0/s1 HWYPKJUOACSAKT-UISHXFLQSA-N 171516 US9085576, 150::US9611261, Example 150 Beta-secretase 1 Homo sapiens 32.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441926 312528186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315503 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(n2)C#CC2CC2)ccc1F InChI=1S/C21H17F3N4O3/c22-14-5-4-11(26-18(29)15-9-30-17(27-15)6-3-10-1-2-10)7-12(14)21(19(23)24)13-8-16(13)31-20(25)28-21/h4-5,7,9-10,13,16,19H,1-2,8H2,(H2,25,28)(H,26,29)/t13-,16+,21+/m0/s1 KGUJRISOHXKAPX-CQURBHOASA-N 171517 US9085576, 151::US9611261, Example 151 Beta-secretase 1 Homo sapiens 24805 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413622 312528187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315504 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(19)11(21)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m1/s1 MURDSGANCUOHQI-AKCUIXRJSA-N 171518 US9085576, 152::US9085576, 155::US9611261, Example 155 Beta-secretase 1 Homo sapiens 127.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90391043 312528188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315505 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(21)13(23)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m1/s1 LPZILOJMOGQQQE-STYXZAMGSA-N 171519 US9085576, 153::US9085576, 157::US9611261, Example 157 Beta-secretase 1 Homo sapiens 143 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413586 312528189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315506 Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-28-12(6-11(27-28)14(20)21)15(29)25-7-2-3-10(19)8(4-7)18(16(22)23)9-5-13(9)30-17(24)26-18/h2-4,6,9,13-14,16H,5H2,1H3,(H2,24,26)(H,25,29)/t9-,13+,18+/m0/s1 NVQXJLSXTPSNHQ-FWWORTMDSA-N 171520 US9085576, 154::US9611261, Example 154 Beta-secretase 1 Homo sapiens 240 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412938 312528190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315507 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(19)11(21)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m1/s1 MURDSGANCUOHQI-AKCUIXRJSA-N 171518 US9085576, 152::US9085576, 155::US9611261, Example 155 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90391043 312528188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315508 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(19)11(21)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m0/s1 MURDSGANCUOHQI-ZWRLQWNWSA-N 171522 US9085576, 156::US9611261, Example 156 Beta-secretase 1 Homo sapiens 55 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413129 312528191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315509 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(21)13(23)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m1/s1 LPZILOJMOGQQQE-STYXZAMGSA-N 171519 US9085576, 153::US9085576, 157::US9611261, Example 157 Beta-secretase 1 Homo sapiens 28314 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413586 312528189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315510 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(21)13(23)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 LPZILOJMOGQQQE-CJAGKMTESA-N 171524 US9085576, 158::US9611261, Example 158 Beta-secretase 1 Homo sapiens 40.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412674 312528192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315511 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m1/s1 UZKQOQQRJKLGGG-KPGGICDASA-N 171525 US9085576, 159::US9085576, 160::US9085576, 316::US9611261, Example 316 Beta-secretase 1 Homo sapiens 225.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412894 312528193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315512 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m1/s1 UZKQOQQRJKLGGG-KPGGICDASA-N 171525 US9085576, 159::US9085576, 160::US9085576, 316::US9611261, Example 316 Beta-secretase 1 Homo sapiens 29.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412894 312528193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315513 CC(C)n1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H19ClF3N5O2/c1-8(2)28-7-12(20)15(27-28)16(29)25-9-3-4-13(21)10(5-9)19(17(22)23)11-6-14(11)30-18(24)26-19/h3-5,7-8,11,14,17H,6H2,1-2H3,(H2,24,26)(H,25,29)/t11-,14+,19+/m0/s1 QCBSNZWYUBQTMD-GEDNVKPRSA-N 171527 US9085576, 161::US9611261, Example 161 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414722 312528194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315514 C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13-,16+,21+/m0/s1 JHAMOFBHPBZXSW-YUURZZLOSA-N 171528 US9085576, 162::US9611261, Example 162 Beta-secretase 1 Homo sapiens 8.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412960 312528195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315515 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H13ClF5N5O2/c18-9-5-28(15(22)23)27-12(9)13(29)25-6-1-2-10(19)7(3-6)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m0/s1 LZAUUZOANIOYOF-UISHXFLQSA-N 171529 US9085576, 163::US9611261, Example 163 Beta-secretase 1 Homo sapiens 13.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415303 312528196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315516 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H14ClF4N5O2/c18-10-5-27(15(21)22)26-13(10)14(28)24-7-1-2-11(20)8(3-7)17(6-19)9-4-12(9)29-16(23)25-17/h1-3,5,9,12,15H,4,6H2,(H2,23,25)(H,24,28)/t9-,12+,17+/m0/s1 UNQHKFVRHXLGIN-DKRRZFASSA-N 171530 US9085576, 164::US9611261, Example 164 Beta-secretase 1 Homo sapiens 23.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412793 312528197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315517 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3nccs3)cn2)ccc1F InChI=1S/C21H17F3N6O3S/c22-13-2-1-10(5-11(13)21(19(23)24)12-6-15(12)33-20(25)30-21)29-18(31)14-7-28-16(8-27-14)32-9-17-26-3-4-34-17/h1-5,7-8,12,15,19H,6,9H2,(H2,25,30)(H,29,31)/t12-,15+,21+/m0/s1 PBOFUWPMJICINF-QURLWZIUSA-N 171531 US9085576, 165::US9611261, Example 165 Beta-secretase 1 Homo sapiens 19.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412940 312528198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315518 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C17H15F3N4O3/c1-7-22-12(6-26-7)14(25)23-8-2-3-11(18)9(4-8)17(15(19)20)10-5-13(10)27-16(21)24-17/h2-4,6,10,13,15H,5H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,17+/m0/s1 UENZQKOWSUZQRC-MNRXQERYSA-N 171532 US9085576, 166::US9611261, Example 166 Beta-secretase 1 Homo sapiens 61.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413526 312528199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315519 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C21H17F3N6O4/c22-13-2-1-10(5-11(13)21(19(23)24)12-6-15(12)34-20(25)30-21)29-18(31)14-7-28-16(8-27-14)33-9-17-26-3-4-32-17/h1-5,7-8,12,15,19H,6,9H2,(H2,25,30)(H,29,31)/t12-,15+,21+/m0/s1 MNJPSURDWKMEDQ-QURLWZIUSA-N 171533 US9085576, 167::US9611261, Example 167 Beta-secretase 1 Homo sapiens 12.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412867 312528200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315520 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(CF)n2)ccc1F InChI=1S/C17H14F4N4O3/c18-5-13-24-11(6-27-13)14(26)23-7-1-2-10(19)8(3-7)17(15(20)21)9-4-12(9)28-16(22)25-17/h1-3,6,9,12,15H,4-5H2,(H2,22,25)(H,23,26)/t9-,12+,17+/m0/s1 ZMWQZZXSNRHAOY-DKRRZFASSA-N 171534 US9085576, 168::US9611261, Example 168 Beta-secretase 1 Homo sapiens 11.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413296 312528201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315521 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cscn3)cn2)ccc1F InChI=1S/C21H17F3N6O3S/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)33-20(25)30-21)29-18(31)15-5-27-17(6-26-15)32-7-11-8-34-9-28-11/h1-3,5-6,8-9,13,16,19H,4,7H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 DSGZYYDLHMDDDV-CQURBHOASA-N 171535 US9085576, 169::US9611261, Example 169 Beta-secretase 1 Homo sapiens 36.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412846 312528202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315522 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cncs3)cn2)ccc1F InChI=1S/C21H17F3N6O3S/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)33-20(25)30-21)29-18(31)15-6-28-17(7-27-15)32-8-11-5-26-9-34-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 JLJYQQNXSQRJBC-CQURBHOASA-N 171536 US9085576, 170::US9611261, Example 170 Beta-secretase 1 Homo sapiens 86.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415296 312528203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315523 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cnco3)cn2)ccc1F InChI=1S/C21H17F3N6O4/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)34-20(25)30-21)29-18(31)15-6-28-17(7-27-15)32-8-11-5-26-9-33-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 VITNRXGBCGCIJP-CQURBHOASA-N 171537 US9085576, 171::US9611261, Example 171 Beta-secretase 1 Homo sapiens 81.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412788 312528204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315524 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCc3nccs3)cn2)ccc1F InChI=1S/C22H18F3N5O3S/c23-15-3-1-11(7-13(15)22(20(24)25)14-8-17(14)33-21(26)30-22)29-19(31)16-4-2-12(9-28-16)32-10-18-27-5-6-34-18/h1-7,9,14,17,20H,8,10H2,(H2,26,30)(H,29,31)/t14-,17+,22+/m0/s1 FCDRQLUQQGNTSM-WTBBCNCBSA-N 171538 US9085576, 172::US9611261, Example 172 Beta-secretase 1 Homo sapiens 82.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413524 312528205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315525 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCc3ncco3)cn2)ccc1F InChI=1S/C22H18F3N5O4/c23-15-3-1-11(7-13(15)22(20(24)25)14-8-17(14)34-21(26)30-22)29-19(31)16-4-2-12(9-28-16)33-10-18-27-5-6-32-18/h1-7,9,14,17,20H,8,10H2,(H2,26,30)(H,29,31)/t14-,17+,22+/m0/s1 MVZJHTYGEYEXBX-WTBBCNCBSA-N 171539 US9085576, 173::US9611261, Example 173 Beta-secretase 1 Homo sapiens 36.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412947 312528206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315526 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cocn3)cn2)ccc1F InChI=1S/C21H17F3N6O4/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)34-20(25)30-21)29-18(31)15-5-27-17(6-26-15)33-8-11-7-32-9-28-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 CSQREPJIQPTOLQ-CQURBHOASA-N 171540 US9085576, 174::US9611261, Example 174 Beta-secretase 1 Homo sapiens 23.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413278 312528207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315527 C[C@H](F)c1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F4N4O3/c1-7(19)15-25-12(6-28-15)14(27)24-8-2-3-11(20)9(4-8)18(16(21)22)10-5-13(10)29-17(23)26-18/h2-4,6-7,10,13,16H,5H2,1H3,(H2,23,26)(H,24,27)/t7-,10-,13+,18+/m0/s1 UTYIZWMPBOJMLJ-DGOADCAFSA-N 171541 US9085576, 175::US9611261, Example 175 Beta-secretase 1 Homo sapiens 2880 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441928 312528208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315528 Cc1csc(c1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N3O2S/c1-8-4-14(27-7-8)15(25)23-9-2-3-12(19)10(5-9)18(16(20)21)11-6-13(11)26-17(22)24-18/h2-5,7,11,13,16H,6H2,1H3,(H2,22,24)(H,23,25)/t11-,13+,18+/m0/s1 DPZOJXONVHUCFJ-WHWRDJHUSA-N 171542 US9085576, 176::US9611261, Example 176 Beta-secretase 1 Homo sapiens 190.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412958 312528209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315529 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(Cl)cs2)ccc1F InChI=1S/C17H13ClF3N3O2S/c18-7-3-13(27-6-7)14(25)23-8-1-2-11(19)9(4-8)17(15(20)21)10-5-12(10)26-16(22)24-17/h1-4,6,10,12,15H,5H2,(H2,22,24)(H,23,25)/t10-,12+,17+/m0/s1 XMHAOVWWUKOZLU-GSDQYQHOSA-N 171543 US9085576, 177::US9611261, Example 177 Beta-secretase 1 Homo sapiens 185 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414800 312528210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315530 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(cs2)C#N)ccc1F InChI=1S/C18H13F3N4O2S/c19-12-2-1-9(24-15(26)14-3-8(6-22)7-28-14)4-10(12)18(16(20)21)11-5-13(11)27-17(23)25-18/h1-4,7,11,13,16H,5H2,(H2,23,25)(H,24,26)/t11-,13+,18+/m0/s1 MKCZCLMZBLQTJP-WHWRDJHUSA-N 171544 US9085576, 178::US9611261, Example 178 Beta-secretase 1 Homo sapiens 1075 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414328 312528211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315531 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)s2)ccc1F InChI=1S/C17H13ClF3N3O2S/c18-13-4-3-12(27-13)14(25)23-7-1-2-10(19)8(5-7)17(15(20)21)9-6-11(9)26-16(22)24-17/h1-5,9,11,15H,6H2,(H2,22,24)(H,23,25)/t9-,11+,17+/m0/s1 OYGZZPCYLPUPMV-VKHBWIJISA-N 171545 US9085576, 179::US9611261, Example 179 Beta-secretase 1 Homo sapiens 870.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413317 312528212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315532 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H16F4N4O3/c20-8-29-10-2-4-14(25-7-10)16(28)26-9-1-3-13(21)11(5-9)19(17(22)23)12-6-15(12)30-18(24)27-19/h1-5,7,12,15,17H,6,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 BXUQSRLUYWAIIQ-IOHHAYIISA-N 171546 US9085576, 180::US9611261, Example 180 Beta-secretase 1 Homo sapiens 91.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414096 312528213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315533 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2csc(Cl)c2)ccc1F InChI=1S/C17H13ClF3N3O2S/c18-13-3-7(6-27-13)14(25)23-8-1-2-11(19)9(4-8)17(15(20)21)10-5-12(10)26-16(22)24-17/h1-4,6,10,12,15H,5H2,(H2,22,24)(H,23,25)/t10-,12+,17+/m0/s1 FXXXMDINNVTPRI-GSDQYQHOSA-N 171547 US9085576, 181::US9611261, Example 181 Beta-secretase 1 Homo sapiens 1400 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412071 312528214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315534 CS(=O)(=O)c1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O4S/c1-31(28,29)10-3-5-14(24-8-10)16(27)25-9-2-4-13(20)11(6-9)19(17(21)22)12-7-15(12)30-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 CEQKSCDBFBFLHO-IOHHAYIISA-N 171548 US9085576, 182::US9611261, Example 182 Beta-secretase 1 Homo sapiens 13100 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412942 312528215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315535 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1Cl InChI=1S/C19H17ClF2N4O3/c20-14-3-1-10(25-17(27)15-4-2-11(7-24-15)28-9-22)5-12(14)19(8-21)13-6-16(13)29-18(23)26-19/h1-5,7,13,16H,6,8-9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m0/s1 AKGVZGCCTXKDCG-URKNILKWSA-N 171549 US9085576, 183::US9611261, Example 183 Beta-secretase 1 Homo sapiens 99.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412848 312528216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315536 Cc1cc(OCC#N)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F3N5O3/c1-10-6-12(31-5-4-25)9-27-17(10)18(30)28-11-2-3-15(22)13(7-11)21(19(23)24)14-8-16(14)32-20(26)29-21/h2-3,6-7,9,14,16,19H,5,8H2,1H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 MMDXGDIVCRQYFS-CMPZQBNXSA-N 171550 US9085576, 184::US9611261, Example 184 Beta-secretase 1 Homo sapiens 357.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412616 312528217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315537 Cc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C20H19F3N4O2/c1-9-5-10(2)16(25-8-9)17(28)26-11-3-4-14(21)12(6-11)20(18(22)23)13-7-15(13)29-19(24)27-20/h3-6,8,13,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 FNNIGPISEQMQMY-XBHMSOGKSA-N 171551 US9085576, 185::US9611261, Example 185 Beta-secretase 1 Homo sapiens 106.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413987 312528218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315538 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)F InChI=1S/C20H17F5N4O2/c1-8-4-9(16(22)23)7-27-15(8)17(30)28-10-2-3-13(21)11(5-10)20(18(24)25)12-6-14(12)31-19(26)29-20/h2-5,7,12,14,16,18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m0/s1 BRVKSBDXLGNTGH-KBARZSOFSA-N 171552 US9085576, 186::US9611261, Example 186 Beta-secretase 1 Homo sapiens 61 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413229 312528219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315539 COc1ccc(nn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O3/c1-28-14-5-4-12(25-26-14)15(27)23-8-2-3-11(19)9(6-8)18(16(20)21)10-7-13(10)29-17(22)24-18/h2-6,10,13,16H,7H2,1H3,(H2,22,24)(H,23,27)/t10-,13+,18+/m0/s1 MGTJJBIHQKWNIJ-CRPGXEFLSA-N 171553 US9085576, 187::US9611261, Example 187 Beta-secretase 1 Homo sapiens 3440 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415593 312528220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315540 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)(F)F InChI=1S/C20H16F6N4O2/c1-8-4-9(20(24,25)26)7-28-15(8)16(31)29-10-2-3-13(21)11(5-10)19(17(22)23)12-6-14(12)32-18(27)30-19/h2-5,7,12,14,17H,6H2,1H3,(H2,27,30)(H,29,31)/t12-,14+,19+/m0/s1 YXPCFNQPAIMDIN-BBEJJTJUSA-N 171554 US9085576, 188::US9611261, Example 188 Beta-secretase 1 Homo sapiens 40 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413190 312528221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315541 Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F6N4O3/c1-9-4-11(33-8-20(25,26)27)7-29-16(9)17(32)30-10-2-3-14(22)12(5-10)21(18(23)24)13-6-15(13)34-19(28)31-21/h2-5,7,13,15,18H,6,8H2,1H3,(H2,28,31)(H,30,32)/t13-,15+,21+/m0/s1 PBFRSDWEHHNNAS-QDUSTFBWSA-N 171555 US9085576, 189::US9611261, Example 189 Beta-secretase 1 Homo sapiens 119.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414018 312528222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315542 Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O2/c1-9-2-5-14(24-8-9)16(27)25-10-3-4-13(20)11(6-10)19(17(21)22)12-7-15(12)28-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 SMGMOQUKJIGDLH-IOHHAYIISA-N 171556 US9085576, 190::US9611261, Example 190 Beta-secretase 1 Homo sapiens 151 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412847 312528223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315543 CC(F)(F)Oc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F5N4O3/c1-19(24,25)32-10-3-5-14(27-8-10)16(30)28-9-2-4-13(21)11(6-9)20(17(22)23)12-7-15(12)31-18(26)29-20/h2-6,8,12,15,17H,7H2,1H3,(H2,26,29)(H,28,30)/t12-,15+,20+/m0/s1 CQPMWQPLIPZLRE-PGICJIBASA-N 171557 US9085576, 191::US9611261, Example 191 Beta-secretase 1 Homo sapiens 414.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412851 312528224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315544 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c20-9-19(13-6-16(13)28-18(23)26-19)12-5-11(2-3-14(12)21)25-17(27)15-4-1-10(7-22)8-24-15/h1-5,8,13,16H,6,9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m0/s1 DXWNBZXVWQVXCJ-URKNILKWSA-N 171558 US9085576, 192::US9611261, Example 192 Beta-secretase 1 Homo sapiens 25.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468888 312528225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315545 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H14Cl2F2N4O2/c19-8-3-12(20)15(24-6-8)16(27)25-9-1-2-13(22)10(4-9)18(7-21)11-5-14(11)28-17(23)26-18/h1-4,6,11,14H,5,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 WWKJHKHHTSVQED-UCMVZMLTSA-N 171559 US9085576, 193::US9611261, Example 193 Beta-secretase 1 Homo sapiens 44.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412683 312528226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315546 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H17F2N5O3/c1-27-15-7-22-13(6-23-15)16(26)24-9-2-3-12(20)10(4-9)18(8-19)11-5-14(11)28-17(21)25-18/h2-4,6-7,11,14H,5,8H2,1H3,(H2,21,25)(H,24,26)/t11-,14+,18+/m0/s1 IWQBEMNHHJRFBX-UCMVZMLTSA-N 171560 US9085576, 194::US9611261, Example 194 Beta-secretase 1 Homo sapiens 142.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413175 312528227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315547 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H18F2N4O3/c1-27-11-3-5-15(23-8-11)17(26)24-10-2-4-14(21)12(6-10)19(9-20)13-7-16(13)28-18(22)25-19/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m0/s1 ITANNYRSIMNKBT-URKNILKWSA-N 171561 US9085576, 195::US9611261, Example 195 Beta-secretase 1 Homo sapiens 124.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412185 312528228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315548 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H17F2N5O2/c1-10-4-11(7-23)8-25-17(10)18(28)26-12-2-3-15(22)13(5-12)20(9-21)14-6-16(14)29-19(24)27-20/h2-5,8,14,16H,6,9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 ZODJBLJBFSQKDW-YYFZDKIDSA-N 171562 US9085576, 196::US9611261, Example 196 Beta-secretase 1 Homo sapiens 32.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414666 312528229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315549 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H17F2N5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(22)12(6-11)20(10-21)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 KFLVKAJIGVJPJS-GQWAEJPESA-N 171563 US9085576, 197::US9611261, Example 197 Beta-secretase 1 Homo sapiens 6.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413271 312528230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315550 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O2/c1-9-4-10(20)7-24-16(9)17(27)25-11-2-3-14(22)12(5-11)19(8-21)13-6-15(13)28-18(23)26-19/h2-5,7,13,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t13-,15+,19+/m0/s1 VBRGQDODBRSLHD-ZBQZNYHESA-N 171564 US9085576, 198::US9611261, Example 198 Beta-secretase 1 Homo sapiens 33.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413745 312528231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315551 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H19F2N5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(23)13(7-12)21(11-22)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 MGDLIOXUNZQHNP-AVBTWRTFSA-N 171565 US9085576, 199::US9611261, Example 199 Beta-secretase 1 Homo sapiens 2.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412798 312528232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315552 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H18ClF2N5O2/c1-10-18(27-17-5-2-11(22)8-29(10)17)19(30)26-12-3-4-15(24)13(6-12)21(9-23)14-7-16(14)31-20(25)28-21/h2-6,8,14,16H,7,9H2,1H3,(H2,25,28)(H,26,30)/t14-,16+,21+/m0/s1 FBAHBQZESVQCKX-CMPZQBNXSA-N 171566 US9085576, 200::US9611261, Example 200 Beta-secretase 1 Homo sapiens 189 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413604 312528233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315553 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18F4N4O2/c1-9-4-10(17(23)24)7-26-16(9)18(29)27-11-2-3-14(22)12(5-11)20(8-21)13-6-15(13)30-19(25)28-20/h2-5,7,13,15,17H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 CZKFEPSFLKILCP-XBHMSOGKSA-N 171567 US9085576, 201::US9611261, Example 201 Beta-secretase 1 Homo sapiens 63.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413928 312528234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315554 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc3ccccc3cn2)ccc1F InChI=1S/C22H18F2N4O2/c23-11-22(16-9-19(16)30-21(25)28-22)15-8-14(5-6-17(15)24)27-20(29)18-7-12-3-1-2-4-13(12)10-26-18/h1-8,10,16,19H,9,11H2,(H2,25,28)(H,27,29)/t16-,19+,22+/m0/s1 KPKKOJPCRYPPFK-DKZVUGQWSA-N 171568 US9085576, 202::US9611261, Example 202 Beta-secretase 1 Homo sapiens 499.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414762 312528235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315555 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C22H20F2N4O3/c1-2-3-8-30-14-5-7-18(26-11-14)20(29)27-13-4-6-17(24)15(9-13)22(12-23)16-10-19(16)31-21(25)28-22/h4-7,9,11,16,19H,8,10,12H2,1H3,(H2,25,28)(H,27,29)/t16-,19+,22+/m0/s1 RCAWHGOWBWKOQO-DKZVUGQWSA-N 171569 US9085576, 203::US9611261, Example 203 Beta-secretase 1 Homo sapiens 8.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415322 312528236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315556 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H14F2N6O2/c19-8-18(11-4-14(11)28-17(22)26-18)12-3-10(7-24-15(12)20)25-16(27)13-2-1-9(5-21)6-23-13/h1-3,6-7,11,14H,4,8H2,(H2,22,26)(H,25,27)/t11-,14+,18-/m0/s1 RCLVKLGKJDFBNF-FVMIAERFSA-N 171570 US9085576, 204::US9611261, Example 204 Beta-secretase 1 Homo sapiens 145.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413094 312528237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315557 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C21H18F2N4O3/c1-2-7-29-13-4-6-17(25-10-13)19(28)26-12-3-5-16(23)14(8-12)21(11-22)15-9-18(15)30-20(24)27-21/h1,3-6,8,10,15,18H,7,9,11H2,(H2,24,27)(H,26,28)/t15-,18+,21+/m0/s1 BELRDFRLJBDHIF-RRMPHLOHSA-N 171571 US9085576, 205::US9611261, Example 205 Beta-secretase 1 Homo sapiens 27.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413636 312528238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315558 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C19H16F2N6O3/c1-2-3-29-15-8-23-13(7-24-15)17(28)26-10-4-12(16(21)25-6-10)19(9-20)11-5-14(11)30-18(22)27-19/h1,4,6-8,11,14H,3,5,9H2,(H2,22,27)(H,26,28)/t11-,14+,19-/m0/s1 QNCZDUQHVRCMGE-SZEPBZDZSA-N 171572 US9085576, 206::US9611261, Example 206 Beta-secretase 1 Homo sapiens 9.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413246 312528239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315559 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cnc1F InChI=1S/C16H13ClF4N6O2/c17-9-4-27(14(20)21)26-11(9)13(28)24-6-1-8(12(19)23-3-6)16(5-18)7-2-10(7)29-15(22)25-16/h1,3-4,7,10,14H,2,5H2,(H2,22,25)(H,24,28)/t7-,10+,16-/m0/s1 SLQWRMHCWDITNP-KQKMSYGOSA-N 171573 US9085576, 207::US9611261, Example 207 Beta-secretase 1 Homo sapiens 57.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413235 312528240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315560 NC1=N[C@]([C@@H]2C[C@@H]2O1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F InChI=1S/C18H14ClF3N4O2/c19-10-4-5-13(24-8-10)15(27)25-11-3-1-2-9(6-11)17(18(20,21)22)12-7-14(12)28-16(23)26-17/h1-6,8,12,14H,7H2,(H2,23,26)(H,25,27)/t12-,14+,17+/m1/s1 OSGKYUXBEDIRSN-IFIJOSMWSA-N 171574 US9085576, 208::US9611261, Example 208 Beta-secretase 1 Homo sapiens 150 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441930 312528241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315561 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)C1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17ClF4N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20?/m0/s1 VTAUITWZZNYEHW-YBSGFIMXSA-N 171575 US9085576, 209::US9611261, Example 209 Beta-secretase 1 Homo sapiens 90.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441929 312528242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315562 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H18ClF2N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m1/s1 JLKYLAHXHDAGED-QTPGKHNVSA-N 171576 BDBM171582::US9085576, 210::US9085576, 216::US9611261, Example 216 Beta-secretase 1 Homo sapiens 3.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415821 312528243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315563 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1Cl InChI=1S/C18H13Cl3F2N4O2/c19-7-3-12(21)14(25-6-7)15(28)26-8-1-2-11(20)9(4-8)18(16(22)23)10-5-13(10)29-17(24)27-18/h1-4,6,10,13,16H,5H2,(H2,24,27)(H,26,28)/t10-,13+,18+/m0/s1 FXESOWILTDQCQA-CRPGXEFLSA-N 171577 US9085576, 211::US9611261, Example 211 Beta-secretase 1 Homo sapiens 12.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413224 312528244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315564 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17ClF4N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m0/s1 VTAUITWZZNYEHW-KBARZSOFSA-N 171578 US9085576, 212::US9611261, Example 212 Beta-secretase 1 Homo sapiens 46.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415325 312528245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315565 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C20H17ClF4N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m1/s1 VTAUITWZZNYEHW-VQZRKKFQSA-N 171579 US9085576, 213::US9611261, Example 213 Beta-secretase 1 Homo sapiens 2415 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413244 312528246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315566 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl InChI=1S/C18H14BrClF2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 ZYXNABUGOAISIX-UCMVZMLTSA-N 171580 US9085576, 214::US9611261, Example 214 Beta-secretase 1 Homo sapiens 9.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413253 312528247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315567 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18ClF2N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1 JLKYLAHXHDAGED-CQURBHOASA-N 171581 US9085576, 215::US9611261, Example 215 Beta-secretase 1 Homo sapiens 1.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413365 312528248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315568 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H18ClF2N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m1/s1 JLKYLAHXHDAGED-QTPGKHNVSA-N 171576 BDBM171582::US9085576, 210::US9085576, 216::US9611261, Example 216 Beta-secretase 1 Homo sapiens 837.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415821 312528243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315569 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)(F)F InChI=1S/C20H16ClF5N4O2/c1-8-4-9(20(24,25)26)7-28-15(8)16(31)29-10-2-3-13(21)11(5-10)19(17(22)23)12-6-14(12)32-18(27)30-19/h2-5,7,12,14,17H,6H2,1H3,(H2,27,30)(H,29,31)/t12-,14+,19+/m0/s1 DEOVLNHHAYJCGN-BBEJJTJUSA-N 171583 US9085576, 217::US9611261, Example 217 Beta-secretase 1 Homo sapiens 15.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413138 312528250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315570 NC1=N[C@]([C@@H]2C[C@@H]2O1)(c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F)C(F)(F)F InChI=1S/C18H13ClF4N4O2/c19-8-1-4-13(25-7-8)15(28)26-9-2-3-12(20)10(5-9)17(18(21,22)23)11-6-14(11)29-16(24)27-17/h1-5,7,11,14H,6H2,(H2,24,27)(H,26,28)/t11-,14+,17+/m1/s1 PNLJASPRPMJLLC-WHCBVINPSA-N 171584 US9085576, 218::US9611261, Example 218 Beta-secretase 1 Homo sapiens 861 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441934 312528251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315571 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1 OZDFQUNLUMSOKL-RAJNIJHNSA-N 171585 US9085576, 219::US9085576, 222::US9611261, Example 222 Beta-secretase 1 Homo sapiens 6.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412211 312528252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315572 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl InChI=1S/C17H13Cl2F4N5O2/c18-9-2-1-6(25-13(29)12-10(19)5-28(27-12)15(22)23)3-7(9)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m1/s1 VCDWFYXJYCLIKC-PRIPVJGGSA-N 171586 US9085576, 220::US9085576, 225::US9611261, Example 225 Beta-secretase 1 Homo sapiens 18.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412264 312528253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315573 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 OZDFQUNLUMSOKL-PGICJIBASA-N 171587 US9085576, 221::US9611261, Example 221 Beta-secretase 1 Homo sapiens 2.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413090 312528254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315574 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1 OZDFQUNLUMSOKL-RAJNIJHNSA-N 171585 US9085576, 219::US9085576, 222::US9611261, Example 222 Beta-secretase 1 Homo sapiens 701 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412211 312528252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315575 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C20H16ClF2N5O2/c1-9-4-10(7-24)8-26-16(9)17(29)27-11-2-3-14(21)12(5-11)20(18(22)23)13-6-15(13)30-19(25)28-20/h2-5,8,13,15,18H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 FVEOXUWMUZWBMG-XBHMSOGKSA-N 171589 US9085576, 223::US9611261, Example 223 Beta-secretase 1 Homo sapiens 18.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413178 312528255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315576 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl InChI=1S/C17H13Cl2F4N5O2/c18-9-2-1-6(25-13(29)12-10(19)5-28(27-12)15(22)23)3-7(9)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m0/s1 VCDWFYXJYCLIKC-UISHXFLQSA-N 171590 US9085576, 224::US9611261, Example 224 Beta-secretase 1 Homo sapiens 10.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414794 312528256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315577 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl InChI=1S/C17H13Cl2F4N5O2/c18-9-2-1-6(25-13(29)12-10(19)5-28(27-12)15(22)23)3-7(9)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m1/s1 VCDWFYXJYCLIKC-PRIPVJGGSA-N 171586 US9085576, 220::US9085576, 225::US9611261, Example 225 Beta-secretase 1 Homo sapiens 8270 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412264 312528253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315578 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16ClF2N5O3/c1-28-14-7-23-12(6-24-14)15(27)25-8-2-3-11(19)9(4-8)18(16(20)21)10-5-13(10)29-17(22)26-18/h2-4,6-7,10,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t10-,13+,18+/m0/s1 FLSNQYVIXBZONP-CRPGXEFLSA-N 171592 US9085576, 226::US9611261, Example 226 Beta-secretase 1 Homo sapiens 89.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413700 312528257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315579 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c20-13-3-9(6-23)7-25-16(13)17(28)26-10-1-2-14(22)11(4-10)19(8-21)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 XZUNYCSAJCRTCT-YFROIQMUSA-N 171593 US9085576, 227::US9611261, Example 227 Beta-secretase 1 Homo sapiens 46.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441935 312528258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315580 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c20-13-3-9(6-23)7-25-16(13)17(28)26-10-1-2-14(22)11(4-10)19(8-21)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 XZUNYCSAJCRTCT-IOHHAYIISA-N 171594 US9085576, 228::US9611261, Example 228 Beta-secretase 1 Homo sapiens 41.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468891 312528259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315581 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(Cl)c1 InChI=1S/C19H17ClF2N4O3/c1-28-10-5-13(20)16(24-7-10)17(27)25-9-2-3-14(22)11(4-9)19(8-21)12-6-15(12)29-18(23)26-19/h2-5,7,12,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 AKQCEODAEGEBAE-IOHHAYIISA-N 171595 US9085576, 229::US9611261, Example 229 Beta-secretase 1 Homo sapiens 34.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468892 312528260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315582 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-2-12(22-5-8)15(26)24-9-3-11(14(20)23-6-9)17(7-19)10-4-13(10)27-16(21)25-17/h1-3,5-6,10,13H,4,7H2,(H2,21,25)(H,24,26)/t10-,13+,17-/m1/s1 MRMRNMPCHKBUAA-ANTHHZPCSA-N 171596 US9085576, 230::US9611261, Example 230 Beta-secretase 1 Homo sapiens 11950 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412352 312528261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315583 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-2-12(22-5-8)15(26)24-9-3-11(14(20)23-6-9)17(7-19)10-4-13(10)27-16(21)25-17/h1-3,5-6,10,13H,4,7H2,(H2,21,25)(H,24,26)/t10-,13+,17-/m0/s1 MRMRNMPCHKBUAA-GDKCJGSASA-N 171597 US9085576, 231::US9611261, Example 231 Beta-secretase 1 Homo sapiens 165 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412680 312528262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315584 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C21H17F3N4O3/c1-2-7-30-12-4-6-16(26-10-12)18(29)27-11-3-5-15(22)13(8-11)21(19(23)24)14-9-17(14)31-20(25)28-21/h1,3-6,8,10,14,17,19H,7,9H2,(H2,25,28)(H,27,29)/t14-,17+,21+/m0/s1 MQQVEJXPHIMTLM-AVBTWRTFSA-N 171598 US9085576, 232::US9611261, Example 232 Beta-secretase 1 Homo sapiens 16.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413750 312528263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315585 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C22H19F3N4O3/c1-2-3-8-31-13-5-7-17(27-11-13)19(30)28-12-4-6-16(23)14(9-12)22(20(24)25)15-10-18(15)32-21(26)29-22/h4-7,9,11,15,18,20H,8,10H2,1H3,(H2,26,29)(H,28,30)/t15-,18+,22+/m0/s1 ZDYLDNZVGCYMTJ-QXATTWAWSA-N 171599 US9085576, 233::US9611261, Example 233 Beta-secretase 1 Homo sapiens 5.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412840 312528264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315586 Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F4N5O2/c1-8-2-9(15(21)22)5-25-14(8)17(29)27-10-3-12(16(23)26-6-10)19(7-20)11-4-13(11)30-18(24)28-19/h2-3,5-6,11,13,15H,4,7H2,1H3,(H2,24,28)(H,27,29)/t11-,13+,19-/m0/s1 PLDDCQCMOHMNFP-XAEJFWIOSA-N 171600 US9085576, 234::US9611261, Example 234 Beta-secretase 1 Homo sapiens 283 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413540 312528265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315587 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1F InChI=1S/C17H14BrF2N5O2/c18-8-1-2-12(22-5-8)15(26)24-9-3-11(14(20)23-6-9)17(7-19)10-4-13(10)27-16(21)25-17/h1-3,5-6,10,13H,4,7H2,(H2,21,25)(H,24,26)/t10-,13+,17-/m0/s1 VWBHVOJKDZJIAQ-GDKCJGSASA-N 171601 US9085576, 235::US9611261, Example 235 Beta-secretase 1 Homo sapiens 125.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413326 312528266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315588 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C20H16F6N4O3/c21-13-3-1-9(5-11(13)20(17(22)23)12-6-15(12)33-18(27)30-20)29-16(31)14-4-2-10(7-28-14)32-8-19(24,25)26/h1-5,7,12,15,17H,6,8H2,(H2,27,30)(H,29,31)/t12-,15+,20+/m0/s1 VKGJDNHLCJLZSF-PGICJIBASA-N 171602 US9085576, 236::US9611261, Example 236 Beta-secretase 1 Homo sapiens 104 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413101 312528267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315589 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F5N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m0/s1 AZQBTXGCOVMMKB-KBARZSOFSA-N 171603 US9085576, 237::US9611261, Example 237 Beta-secretase 1 Homo sapiens 37.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468893 312528268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315590 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F InChI=1S/C18H14F5N5O3/c19-10-2-1-7(27-14(29)11-5-26-13(6-25-11)31-16(22)23)3-8(10)18(15(20)21)9-4-12(9)30-17(24)28-18/h1-3,5-6,9,12,15-16H,4H2,(H2,24,28)(H,27,29)/t9-,12+,18+/m0/s1 RJJGEYWYAXLUHB-PCULOGHHSA-N 171604 US9085576, 238::US9611261, Example 238 Beta-secretase 1 Homo sapiens 21.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414107 312528269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315591 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CCCCC2)ccc1F InChI=1S/C19H22F3N3O2/c20-14-7-6-11(24-16(26)10-4-2-1-3-5-10)8-12(14)19(17(21)22)13-9-15(13)27-18(23)25-19/h6-8,10,13,15,17H,1-5,9H2,(H2,23,25)(H,24,26)/t13-,15+,19+/m0/s1 ZVMBSWATJUUPMJ-ZBQZNYHESA-N 171605 US9085576, 239::US9611261, Example 239 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412074 312528270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315592 COCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C15H16F3N3O3/c1-23-6-12(22)20-7-2-3-10(16)8(4-7)15(13(17)18)9-5-11(9)24-14(19)21-15/h2-4,9,11,13H,5-6H2,1H3,(H2,19,21)(H,20,22)/t9-,11+,15+/m0/s1 JJSHKENNJOTJRO-ZVWUFJHRSA-N 171606 US9085576, 240::US9611261, Example 240 Beta-secretase 1 Homo sapiens 821 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414654 312528271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315593 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)CC2CCCCC2)ccc1F InChI=1S/C20H24F3N3O2/c21-15-7-6-12(25-17(27)8-11-4-2-1-3-5-11)9-13(15)20(18(22)23)14-10-16(14)28-19(24)26-20/h6-7,9,11,14,16,18H,1-5,8,10H2,(H2,24,26)(H,25,27)/t14-,16+,20+/m0/s1 BDBDXBVGWUEDBA-YYFZDKIDSA-N 171607 US9085576, 241::US9611261, Example 241 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413678 312528272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315594 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CCOCC2)ccc1F InChI=1S/C18H20F3N3O3/c19-13-2-1-10(23-15(25)9-3-5-26-6-4-9)7-11(13)18(16(20)21)12-8-14(12)27-17(22)24-18/h1-2,7,9,12,14,16H,3-6,8H2,(H2,22,24)(H,23,25)/t12-,14+,18+/m0/s1 GIZGEJKHCQNBKD-WPKBUWHJSA-N 171608 US9085576, 242::US9611261, Example 242 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414541 312528273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315595 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2=CCCCC2)ccc1F InChI=1S/C19H20F3N3O2/c20-14-7-6-11(24-16(26)10-4-2-1-3-5-10)8-12(14)19(17(21)22)13-9-15(13)27-18(23)25-19/h4,6-8,13,15,17H,1-3,5,9H2,(H2,23,25)(H,24,26)/t13-,15+,19+/m0/s1 WLJVGCAUZUWPGH-ZBQZNYHESA-N 171609 US9085576, 243::US9611261, Example 243 Beta-secretase 1 Homo sapiens 24421 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413603 312528274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315596 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)[C@H]2CCCO2)ccc1F InChI=1S/C17H18F3N3O3/c18-11-4-3-8(22-14(24)12-2-1-5-25-12)6-9(11)17(15(19)20)10-7-13(10)26-16(21)23-17/h3-4,6,10,12-13,15H,1-2,5,7H2,(H2,21,23)(H,22,24)/t10-,12+,13+,17+/m0/s1 LJADZUBXYCEOAA-BMGIQWSVSA-N 171610 US9085576, 244::US9611261, Example 244 Beta-secretase 1 Homo sapiens 5370 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412554 312528275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315597 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2(CC2)c2ccc(Cl)cc2)ccc1F InChI=1S/C22H19ClF3N3O2/c23-12-3-1-11(2-4-12)21(7-8-21)19(30)28-13-5-6-16(24)14(9-13)22(18(25)26)15-10-17(15)31-20(27)29-22/h1-6,9,15,17-18H,7-8,10H2,(H2,27,29)(H,28,30)/t15-,17+,22+/m0/s1 ATVZEZSBWBXGDF-LBUQITIBSA-N 171611 US9085576, 245::US9611261, Example 245 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414087 312528276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315598 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2(CCC2)c2ccc(Cl)cc2)ccc1F InChI=1S/C23H21ClF3N3O2/c24-13-4-2-12(3-5-13)22(8-1-9-22)20(31)29-14-6-7-17(25)15(10-14)23(19(26)27)16-11-18(16)32-21(28)30-23/h2-7,10,16,18-19H,1,8-9,11H2,(H2,28,30)(H,29,31)/t16-,18+,23+/m0/s1 WXQHCSRIQAGPFT-PRCFCKQXSA-N 171612 US9085576, 246::US9611261, Example 246 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413306 312528277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315599 COCCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C16H18F3N3O3/c1-24-5-4-13(23)21-8-2-3-11(17)9(6-8)16(14(18)19)10-7-12(10)25-15(20)22-16/h2-3,6,10,12,14H,4-5,7H2,1H3,(H2,20,22)(H,21,23)/t10-,12+,16+/m0/s1 ZXNYETUNRSKDIN-KANYHAFZSA-N 171613 US9085576, 247::US9611261, Example 247 Beta-secretase 1 Homo sapiens 25543 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412785 312528278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315600 Cn1cc(ccc1=O)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O3/c1-26-8-9(2-5-15(26)27)16(28)24-10-3-4-13(20)11(6-10)19(17(21)22)12-7-14(12)29-18(23)25-19/h2-6,8,12,14,17H,7H2,1H3,(H2,23,25)(H,24,28)/t12-,14+,19+/m0/s1 VAKBYCOJGQLGPR-BBEJJTJUSA-N 171614 US9085576, 248::US9611261, Example 248 Beta-secretase 1 Homo sapiens 40486 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413690 312528279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315601 Cn1ccc(cc1=O)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O3/c1-26-5-4-9(6-15(26)27)16(28)24-10-2-3-13(20)11(7-10)19(17(21)22)12-8-14(12)29-18(23)25-19/h2-7,12,14,17H,8H2,1H3,(H2,23,25)(H,24,28)/t12-,14+,19+/m0/s1 SDSXLXZYUUISCK-BBEJJTJUSA-N 171615 US9085576, 249::US9611261, Example 249 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415589 312528280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315602 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#CC3CC3)cn2)ccc1F InChI=1S/C24H21F3N4O3/c25-18-7-5-14(10-16(18)24(22(26)27)17-11-20(17)34-23(28)31-24)30-21(32)19-8-6-15(12-29-19)33-9-1-2-13-3-4-13/h5-8,10,12-13,17,20,22H,3-4,9,11H2,(H2,28,31)(H,30,32)/t17-,20+,24+/m0/s1 YJTGPECJMTWUKJ-WPSZSDGUSA-N 171616 US9085576, 250::US9611261, Example 250 Beta-secretase 1 Homo sapiens 21.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412656 312528281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315603 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)CC(F)(F)F)ccc1F InChI=1S/C15H13F6N3O2/c16-9-2-1-6(23-11(25)5-14(19,20)21)3-7(9)15(12(17)18)8-4-10(8)26-13(22)24-15/h1-3,8,10,12H,4-5H2,(H2,22,24)(H,23,25)/t8-,10+,15+/m0/s1 VICFSQGJYMJNMZ-SVIKCVJRSA-N 171617 US9085576, 251::US9611261, Example 251 Beta-secretase 1 Homo sapiens 4700 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413219 312528282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315604 C[C@H](C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cc1 InChI=1S/C21H19ClF3N3O2/c1-10(11-2-4-12(22)5-3-11)18(29)27-13-6-7-16(23)14(8-13)21(19(24)25)15-9-17(15)30-20(26)28-21/h2-8,10,15,17,19H,9H2,1H3,(H2,26,28)(H,27,29)/t10-,15-,17+,21+/m0/s1 WYXOVLBNEKKQAS-VPZKPWADSA-N 171618 US9085576, 252::US9611261, Example 252 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441936 312528283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315605 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)[C@@H]2CCOC2)ccc1F InChI=1S/C17H18F3N3O3/c18-12-2-1-9(22-14(24)8-3-4-25-7-8)5-10(12)17(15(19)20)11-6-13(11)26-16(21)23-17/h1-2,5,8,11,13,15H,3-4,6-7H2,(H2,21,23)(H,22,24)/t8-,11+,13-,17-/m1/s1 IJIOGMIXLJQLPJ-IWZKCGIKSA-N 171619 US9085576, 253::US9611261, Example 253 Beta-secretase 1 Homo sapiens 34304 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413132 312528284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315606 CC(C)(C)OCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H22F3N3O3/c1-17(2,3)26-8-14(25)23-9-4-5-12(19)10(6-9)18(15(20)21)11-7-13(11)27-16(22)24-18/h4-6,11,13,15H,7-8H2,1-3H3,(H2,22,24)(H,23,25)/t11-,13+,18+/m0/s1 DJYMPHOPKGKESD-WHWRDJHUSA-N 171620 US9085576, 254::US9611261, Example 254 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412622 312528285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315607 COCCOCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C17H20F3N3O4/c1-25-4-5-26-8-14(24)22-9-2-3-12(18)10(6-9)17(15(19)20)11-7-13(11)27-16(21)23-17/h2-3,6,11,13,15H,4-5,7-8H2,1H3,(H2,21,23)(H,22,24)/t11-,13+,17+/m0/s1 PJHAQZLTXQVMJR-XTQGRXLLSA-N 171621 US9085576, 255::US9611261, Example 255 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412189 312528286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315608 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)COc2ccccc2)ccc1F InChI=1S/C20H18F3N3O3/c21-15-7-6-11(25-17(27)10-28-12-4-2-1-3-5-12)8-13(15)20(18(22)23)14-9-16(14)29-19(24)26-20/h1-8,14,16,18H,9-10H2,(H2,24,26)(H,25,27)/t14-,16+,20+/m0/s1 NOESOXMJWWTJKS-YYFZDKIDSA-N 171622 US9085576, 256::US9611261, Example 256 Beta-secretase 1 Homo sapiens 6660 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413353 312528287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315609 CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C16H18F3N3O3/c1-7(24-2)13(23)21-8-3-4-11(17)9(5-8)16(14(18)19)10-6-12(10)25-15(20)22-16/h3-5,7,10,12,14H,6H2,1-2H3,(H2,20,22)(H,21,23)/t7-,10+,12-,16-/m1/s1 BEXIJQGNXMGJQN-AHRHCDRZSA-N 171623 US9085576, 257::US9611261, Example 257 Beta-secretase 1 Homo sapiens 1840 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412345 312528288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315610 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CC(=O)C2)ccc1F InChI=1S/C17H16F3N3O3/c18-12-2-1-8(22-14(25)7-3-9(24)4-7)5-10(12)17(15(19)20)11-6-13(11)26-16(21)23-17/h1-2,5,7,11,13,15H,3-4,6H2,(H2,21,23)(H,22,25)/t11-,13+,17+/m0/s1 CBLUCUQLKPVIAZ-XTQGRXLLSA-N 171624 US9085576, 258::US9611261, Example 258 Beta-secretase 1 Homo sapiens 20054 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413255 312528289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315611 C[C@@H](Oc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O3/c1-10(8-25)31-12-3-5-16(27-9-12)18(30)28-11-2-4-15(22)13(6-11)21(19(23)24)14-7-17(14)32-20(26)29-21/h2-6,9-10,14,17,19H,7H2,1H3,(H2,26,29)(H,28,30)/t10-,14+,17-,21-/m1/s1 VPRCCPHSNCWWDN-ZDYJSIIZSA-N 171625 US9085576, 259::US9611261, Example 259 Beta-secretase 1 Homo sapiens 659.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441938 312528290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315612 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C16H16F3N3O2/c17-11-4-3-8(21-13(23)7-1-2-7)5-9(11)16(14(18)19)10-6-12(10)24-15(20)22-16/h3-5,7,10,12,14H,1-2,6H2,(H2,20,22)(H,21,23)/t10-,12+,16+/m0/s1 AVYBUTDARNOIIF-KANYHAFZSA-N 171626 US9085576, 260::US9611261, Example 260 Beta-secretase 1 Homo sapiens 5170 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413093 312528291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315613 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H13ClF3N5O2/c18-13-6-23-11(5-24-13)14(27)25-7-1-2-10(19)8(3-7)17(15(20)21)9-4-12(9)28-16(22)26-17/h1-3,5-6,9,12,15H,4H2,(H2,22,26)(H,25,27)/t9-,12+,17+/m0/s1 GROXSZVBRZNJAF-DKRRZFASSA-N 171627 US9085576, 261 Beta-secretase 1 Homo sapiens 37 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412895 312528292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315614 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C#Cc2ccccc2)ccc1F InChI=1S/C21H16F3N3O2/c22-16-8-7-13(26-18(28)9-6-12-4-2-1-3-5-12)10-14(16)21(19(23)24)15-11-17(15)29-20(25)27-21/h1-5,7-8,10,15,17,19H,11H2,(H2,25,27)(H,26,28)/t15-,17+,21+/m0/s1 LDKKKYIORTWXDX-LUQKVYGDSA-N 171628 US9085576, 262::US9611261, Example 262 Beta-secretase 1 Homo sapiens 245.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413072 312528293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315615 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF2N4O2/c19-10-4-5-13(23-8-10)15(26)24-11-3-1-2-9(6-11)18(16(20)21)12-7-14(12)27-17(22)25-18/h1-6,8,12,14,16H,7H2,(H2,22,25)(H,24,26)/t12-,14+,18+/m0/s1 XXSQZGRYENIHEO-WPKBUWHJSA-N 171629 US9085576, 263::US9085576, 265::US9611261, Example 265 Beta-secretase 1 Homo sapiens 525 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413257 312528294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315616 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF2N4O2/c19-10-4-5-13(23-8-10)15(26)24-11-3-1-2-9(6-11)18(16(20)21)12-7-14(12)27-17(22)25-18/h1-6,8,12,14,16H,7H2,(H2,22,25)(H,24,26)/t12-,14+,18+/m1/s1 XXSQZGRYENIHEO-IAISJRAMSA-N 171630 US9085576, 264::US9611261, Example 264 Beta-secretase 1 Homo sapiens 35904 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413260 312528295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315617 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF2N4O2/c19-10-4-5-13(23-8-10)15(26)24-11-3-1-2-9(6-11)18(16(20)21)12-7-14(12)27-17(22)25-18/h1-6,8,12,14,16H,7H2,(H2,22,25)(H,24,26)/t12-,14+,18+/m0/s1 XXSQZGRYENIHEO-WPKBUWHJSA-N 171629 US9085576, 263::US9085576, 265::US9611261, Example 265 Beta-secretase 1 Homo sapiens 265 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413257 312528294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315618 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O2/c1-8-6-24-13(7-23-8)15(27)25-9-2-3-12(19)10(4-9)18(16(20)21)11-5-14(11)28-17(22)26-18/h2-4,6-7,11,14,16H,5H2,1H3,(H2,22,26)(H,25,27)/t11-,14+,18+/m0/s1 SIQCPFMGRNDORT-UCMVZMLTSA-N 171632 US9085576, 266::US9611261, Example 266 Beta-secretase 1 Homo sapiens 817 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413006 312528296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315619 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C17H13BrF3N5O2/c18-7-5-23-13(24-6-7)14(27)25-8-1-2-11(19)9(3-8)17(15(20)21)10-4-12(10)28-16(22)26-17/h1-3,5-6,10,12,15H,4H2,(H2,22,26)(H,25,27)/t10-,12+,17+/m0/s1 TXJMDSYOOFMAPA-GSDQYQHOSA-N 171633 US9085576, 267::US9611261, Example 267 Beta-secretase 1 Homo sapiens 41.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401291 312528297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315620 Cc1ccc(NC(=O)c2ccc(cn2)C#N)cc1[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F2N5O2/c1-10-2-4-12(26-17(28)15-5-3-11(8-23)9-25-15)6-13(10)20(18(21)22)14-7-16(14)29-19(24)27-20/h2-6,9,14,16,18H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 NCIHLIKSGIZAGO-YYFZDKIDSA-N 171635 US9085576, 269::US9611261, Example 269 Beta-secretase 1 Homo sapiens 93.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401358 312528298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315621 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H15Cl2FN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 PHALMLPUYSAMCZ-WBHUJUFNSA-N 171636 US9085576, 270::US9611261, Example 270 Beta-secretase 1 Homo sapiens 66.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413160 312528299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315622 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H15Cl2FN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 PHALMLPUYSAMCZ-MRAWALMUSA-N 171637 US9085576, 271::US9085576, 276::US9611261, Example 271 Beta-secretase 1 Homo sapiens 24087 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413523 312528300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315623 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H17ClFN5O3/c1-27-15-7-22-13(6-23-15)16(26)24-9-2-3-12(19)10(4-9)18(8-20)11-5-14(11)28-17(21)25-18/h2-4,6-7,11,14H,5,8H2,1H3,(H2,21,25)(H,24,26)/t11-,14+,18+/m0/s1 ILNWOKQUHNCRBO-UCMVZMLTSA-N 171638 US9085576, 272::US9611261, Example 272 Beta-secretase 1 Homo sapiens 142.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413187 312528301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315624 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H17ClFN5O3/c1-27-15-7-22-13(6-23-15)16(26)24-9-2-3-12(19)10(4-9)18(8-20)11-5-14(11)28-17(21)25-18/h2-4,6-7,11,14H,5,8H2,1H3,(H2,21,25)(H,24,26)/t11-,14+,18+/m1/s1 ILNWOKQUHNCRBO-VZSAFFHGSA-N 171639 US9085576, 273::US9611261, Example 273 Beta-secretase 1 Homo sapiens 36330 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413533 312528302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315625 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl InChI=1S/C18H15BrClFN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 UZCLYOIVDQZQDG-WBHUJUFNSA-N 171640 US9085576, 274::US9611261, Example 274 Beta-secretase 1 Homo sapiens 32.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412662 312528303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315626 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl InChI=1S/C18H15BrClFN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 UZCLYOIVDQZQDG-MRAWALMUSA-N 171641 US9085576, 275::US9611261, Example 275 Beta-secretase 1 Homo sapiens 3605 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414792 312528304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315627 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H15Cl2FN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 PHALMLPUYSAMCZ-MRAWALMUSA-N 171637 US9085576, 271::US9085576, 276::US9611261, Example 271 Beta-secretase 1 Homo sapiens 137.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413523 312528300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315628 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H15ClFN5O2/c20-14-3-2-11(25-17(27)15-4-1-10(7-22)8-24-15)5-12(14)19(9-21)13-6-16(13)28-18(23)26-19/h1-5,8,13,16H,6,9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m0/s1 ZWERIHPDBHICGA-URKNILKWSA-N 171643 US9085576, 277::US9611261, Example 277 Beta-secretase 1 Homo sapiens 56.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413880 312528305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315629 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H15ClFN5O2/c20-14-3-2-11(25-17(27)15-4-1-10(7-22)8-24-15)5-12(14)19(9-21)13-6-16(13)28-18(23)26-19/h1-5,8,13,16H,6,9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m1/s1 ZWERIHPDBHICGA-AZOIQLNYSA-N 171644 US9085576, 278::US9611261, Example 278 Beta-secretase 1 Homo sapiens 9510 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413220 312528306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315630 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H17ClFN5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(21)12(6-11)20(10-22)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 AJSWZVUYUZVZBK-GQWAEJPESA-N 171645 US9085576, 279::US9611261, Example 279 Beta-secretase 1 Homo sapiens 5.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413383 312528307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315631 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H17ClFN5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(21)12(6-11)20(10-22)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m1/s1 AJSWZVUYUZVZBK-PSGMQZRDSA-N 171646 US9085576, 280::US9611261, Example 280 Beta-secretase 1 Homo sapiens 4780 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414676 312528308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315632 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1Cl InChI=1S/C18H14Cl3FN4O2/c19-8-3-13(21)15(24-6-8)16(27)25-9-1-2-12(20)10(4-9)18(7-22)11-5-14(11)28-17(23)26-18/h1-4,6,11,14H,5,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 AUIDZPYMVWBDJY-UCMVZMLTSA-N 171647 US9085576, 281::US9611261, Example 281 Beta-secretase 1 Homo sapiens 44.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412755 312528309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315633 COc1ccc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H18ClFN4O3/c1-27-11-3-5-15(23-8-11)17(26)24-10-2-4-14(20)12(6-10)19(9-21)13-7-16(13)28-18(22)25-19/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m0/s1 UASMUALLDBEHIL-URKNILKWSA-N 171648 US9085576, 282::US9611261, Example 282 Beta-secretase 1 Homo sapiens 195.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412349 312528310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315634 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H17ClFN5O2/c1-10-4-11(7-23)8-25-17(10)18(28)26-12-2-3-15(21)13(5-12)20(9-22)14-6-16(14)29-19(24)27-20/h2-5,8,14,16H,6,9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 VLKWQZOQIHLUFL-YYFZDKIDSA-N 171649 US9085576, 283::US9611261, Example 283 Beta-secretase 1 Homo sapiens 31 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414776 312528311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315635 COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(Cl)c1 InChI=1S/C19H17Cl2FN4O3/c1-28-10-5-14(21)16(24-7-10)17(27)25-9-2-3-13(20)11(4-9)19(8-22)12-6-15(12)29-18(23)26-19/h2-5,7,12,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 WAIBHJIYHTXPHM-IOHHAYIISA-N 171650 US9085576, 284::US9611261, Example 284 Beta-secretase 1 Homo sapiens 122.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412959 312528312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315636 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H19ClFN5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(22)13(7-12)21(11-23)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 IOBHUULPCQQFMD-AVBTWRTFSA-N 171651 US9085576, 285::US9611261, Example 285 Beta-secretase 1 Homo sapiens 2.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414780 312528313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315637 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cccc(Cl)n2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-14-3-1-2-12(25-14)15(27)24-8-4-5-11(20)9(6-8)18(16(21)22)10-7-13(10)28-17(23)26-18/h1-6,10,13,16H,7H2,(H2,23,26)(H,24,27)/t10-,13+,18+/m0/s1 MCBLBBBZUWRTTA-CRPGXEFLSA-N 171652 US9085576, 286::US9611261, Example 286 Beta-secretase 1 Homo sapiens 1570 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412204 312528314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315638 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-3-4-24-13(5-8)15(27)25-9-1-2-12(20)10(6-9)18(16(21)22)11-7-14(11)28-17(23)26-18/h1-6,11,14,16H,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 UMWSUMBPDOMSMW-UCMVZMLTSA-N 171653 US9085576, 287::US9611261, Example 287 Beta-secretase 1 Homo sapiens 1930 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412192 312528315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315639 CC(C)c1cccnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H21F3N4O2/c1-10(2)12-4-3-7-26-17(12)18(29)27-11-5-6-15(22)13(8-11)21(19(23)24)14-9-16(14)30-20(25)28-21/h3-8,10,14,16,19H,9H2,1-2H3,(H2,25,28)(H,27,29)/t14-,16+,21+/m0/s1 JDLCQMGUYLJFPQ-CMPZQBNXSA-N 171654 US9085576, 288::US9611261, Example 288 Beta-secretase 1 Homo sapiens 3345 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413374 312528316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315640 CC(C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H20ClF3N4O2/c1-9(2)12-5-10(22)8-27-17(12)18(30)28-11-3-4-15(23)13(6-11)21(19(24)25)14-7-16(14)31-20(26)29-21/h3-6,8-9,14,16,19H,7H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 SPPMAGBUKCBTQD-CMPZQBNXSA-N 171655 US9085576, 289::US9611261, Example 289 Beta-secretase 1 Homo sapiens 305 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414815 312528317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315641 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Br)cc2C(F)F)ccc1F InChI=1S/C19H14BrF5N4O2/c20-7-3-9(15(22)23)14(27-6-7)16(30)28-8-1-2-12(21)10(4-8)19(17(24)25)11-5-13(11)31-18(26)29-19/h1-4,6,11,13,15,17H,5H2,(H2,26,29)(H,28,30)/t11-,13+,19+/m0/s1 NGKVQYJFGRQPLW-CENXUZMRSA-N 171656 US9085576, 290::US9611261, Example 290 Beta-secretase 1 Homo sapiens 14.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413693 312528318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315642 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)-c2ccccc2)ccc1F InChI=1S/C24H19F3N4O2/c25-18-8-7-15(10-16(18)24(22(26)27)17-11-20(17)33-23(28)31-24)30-21(32)19-9-6-14(12-29-19)13-4-2-1-3-5-13/h1-10,12,17,20,22H,11H2,(H2,28,31)(H,30,32)/t17-,20+,24+/m0/s1 ZVXMNGAIFYVSQQ-WPSZSDGUSA-N 171657 US9085576, 291::US9611261, Example 291 Beta-secretase 1 Homo sapiens 1145 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414603 312528319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315643 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccccn2)ccc1F InChI=1S/C18H15F3N4O2/c19-12-5-4-9(24-15(26)13-3-1-2-6-23-13)7-10(12)18(16(20)21)11-8-14(11)27-17(22)25-18/h1-7,11,14,16H,8H2,(H2,22,25)(H,24,26)/t11-,14+,18+/m0/s1 NYTZYMHDMQJGQV-UCMVZMLTSA-N 171658 US9085576, 292::US9611261, Example 292 Beta-secretase 1 Homo sapiens 300.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413218 312528320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315644 Cc1cccnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O2/c1-9-3-2-6-24-15(9)16(27)25-10-4-5-13(20)11(7-10)19(17(21)22)12-8-14(12)28-18(23)26-19/h2-7,12,14,17H,8H2,1H3,(H2,23,26)(H,25,27)/t12-,14+,19+/m0/s1 FMPPQMWLURDGIQ-BBEJJTJUSA-N 171659 US9085576, 293::US9611261, Example 293 Beta-secretase 1 Homo sapiens 271 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413232 312528321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315645 COc1cnc(cn1)C(=O)Nc1ccc(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H19F2N5O3/c1-9-3-4-10(25-16(27)13-7-24-15(28-2)8-23-13)5-11(9)19(17(20)21)12-6-14(12)29-18(22)26-19/h3-5,7-8,12,14,17H,6H2,1-2H3,(H2,22,26)(H,25,27)/t12-,14+,19+/m0/s1 JBMAHVOQYLZIAZ-BBEJJTJUSA-N 171660 US9085576, 294::US9611261, Example 294 Beta-secretase 1 Homo sapiens 313.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412784 312528322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315646 Cc1ccc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17ClF2N4O2/c1-9-2-4-11(25-16(27)14-5-3-10(20)8-24-14)6-12(9)19(17(21)22)13-7-15(13)28-18(23)26-19/h2-6,8,13,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t13-,15+,19+/m0/s1 CZVQODOOWZRPDI-ZBQZNYHESA-N 171661 US9085576, 295::US9611261, Example 295 Beta-secretase 1 Homo sapiens 90.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413872 312528323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315647 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H14BrF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 KLDGVZBFMGQONH-VZSAFFHGSA-N 171662 US9085576, 296::US9611261, Example 296 Beta-secretase 1 Homo sapiens 4185 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412943 312528324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315648 COc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17Cl2FN4O3/c1-28-15-4-9(20)7-24-16(15)17(27)25-10-2-3-13(21)11(5-10)19(8-22)12-6-14(12)29-18(23)26-19/h2-5,7,12,14H,6,8H2,1H3,(H2,23,26)(H,25,27)/t12-,14+,19+/m0/s1 OLZOMJKBURVGMJ-BBEJJTJUSA-N 171663 US9085576, 297 Beta-secretase 1 Homo sapiens 183.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412249 312528325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315649 Cc1cc(NC(=O)c2ncc(cn2)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H15F3N6O2/c1-8-2-10(27-16(29)15-25-6-9(5-23)7-26-15)3-12(14(8)20)19(17(21)22)11-4-13(11)30-18(24)28-19/h2-3,6-7,11,13,17H,4H2,1H3,(H2,24,28)(H,27,29)/t11-,13+,19-/m0/s1 DQSLYDYWYFZCGF-XAEJFWIOSA-N 171664 US9085576, 298::US9611261, Example 298 Beta-secretase 1 Homo sapiens 99 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412652 312528326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315650 COc1cnc(cn1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H18F3N5O3/c1-8-3-9(26-16(28)12-6-25-14(29-2)7-24-12)4-11(15(8)20)19(17(21)22)10-5-13(10)30-18(23)27-19/h3-4,6-7,10,13,17H,5H2,1-2H3,(H2,23,27)(H,26,28)/t10-,13+,19-/m0/s1 RJMGPWYVJLHXRE-VARDARPISA-N 171665 US9085576, 299::US9611261, Example 299 Beta-secretase 1 Homo sapiens 30.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415579 312528327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315651 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1 InChI=1S/C20H20F3N5O3/c1-8-4-10(27-17(29)16-9(2)26-14(30-3)7-25-16)5-12(15(8)21)20(18(22)23)11-6-13(11)31-19(24)28-20/h4-5,7,11,13,18H,6H2,1-3H3,(H2,24,28)(H,27,29)/t11-,13+,20-/m0/s1 KWSLJWBQHGENGP-SCLGINMFSA-N 171666 US9085576, 300::US9611261, Example 300 Beta-secretase 1 Homo sapiens 141.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414094 312528328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315652 COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(C)n1 InChI=1S/C19H19ClFN5O3/c1-9-16(23-7-15(24-9)28-2)17(27)25-10-3-4-13(20)11(5-10)19(8-21)12-6-14(12)29-18(22)26-19/h3-5,7,12,14H,6,8H2,1-2H3,(H2,22,26)(H,25,27)/t12-,14+,19+/m0/s1 VGJFITXUIUIGSC-BBEJJTJUSA-N 171667 US9085576, 301::US9611261, Example 301 Beta-secretase 1 Homo sapiens 352.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413128 312528329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315653 Cc1cc(NC(=O)c2ncc(Cl)cc2F)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H15ClF4N4O2/c1-7-2-9(27-16(29)15-12(21)3-8(20)6-26-15)4-11(14(7)22)19(17(23)24)10-5-13(10)30-18(25)28-19/h2-4,6,10,13,17H,5H2,1H3,(H2,25,28)(H,27,29)/t10-,13+,19-/m0/s1 RGYGKMWXQDBSCB-VARDARPISA-N 171668 US9085576, 302::US9611261, Example 302 Beta-secretase 1 Homo sapiens 31.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413989 312528330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315654 Cc1cc(NC(=O)c2ncc(Cl)cc2C)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O2/c1-8-4-11(27-17(29)16-9(2)3-10(21)7-26-16)5-13(15(8)22)20(18(23)24)12-6-14(12)30-19(25)28-20/h3-5,7,12,14,18H,6H2,1-2H3,(H2,25,28)(H,27,29)/t12-,14+,20-/m0/s1 RYYBBXBSUHJIDG-HKMRUAMVSA-N 171669 US9085576, 303::US9611261, Example 303 Beta-secretase 1 Homo sapiens 30 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413234 312528331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315655 COc1ccc(nc1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H19F3N4O3/c1-9-5-10(26-17(28)14-4-3-11(29-2)8-25-14)6-13(16(9)21)20(18(22)23)12-7-15(12)30-19(24)27-20/h3-6,8,12,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t12-,15+,20-/m0/s1 DQOXNJQWKGBBDL-VHPWJVAPSA-N 171670 US9085576, 304::US9611261, Example 304 Beta-secretase 1 Homo sapiens 52.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413157 312528332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315656 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C21H21F3N4O3/c1-9-4-11(27-18(29)17-10(2)5-12(30-3)8-26-17)6-14(16(9)22)21(19(23)24)13-7-15(13)31-20(25)28-21/h4-6,8,13,15,19H,7H2,1-3H3,(H2,25,28)(H,27,29)/t13-,15+,21-/m0/s1 CWASULQHMRBRCM-KUUHDYPXSA-N 171671 US9085576, 305::US9611261, Example 305 Beta-secretase 1 Homo sapiens 117.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413176 312528333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315657 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(F)c1 InChI=1S/C19H16F4N4O3/c1-29-9-5-13(21)15(25-7-9)16(28)26-8-2-3-12(20)10(4-8)19(17(22)23)11-6-14(11)30-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19+/m0/s1 AOZHXTNUDVESGL-GEDNVKPRSA-N 171672 US9085576, 306::US9611261, Example 306 Beta-secretase 1 Homo sapiens 41.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413331 312528334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315658 COc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16F4N4O3/c1-29-14-4-8(20)7-25-15(14)16(28)26-9-2-3-12(21)10(5-9)19(17(22)23)11-6-13(11)30-18(24)27-19/h2-5,7,11,13,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,13+,19+/m0/s1 WNJSCEJENCDUIT-CENXUZMRSA-N 171673 US9085576, 307::US9611261, Example 307 Beta-secretase 1 Homo sapiens 413 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413662 312528335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315659 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CF)ccc1F InChI=1S/C19H15ClF4N4O2/c20-9-3-8(6-21)15(26-7-9)16(29)27-10-1-2-13(22)11(4-10)19(17(23)24)12-5-14(12)30-18(25)28-19/h1-4,7,12,14,17H,5-6H2,(H2,25,28)(H,27,29)/t12-,14+,19+/m0/s1 BUGLZMXPINWJGT-BBEJJTJUSA-N 171674 US9085576, 308::US9611261, Example 308 Beta-secretase 1 Homo sapiens 17.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412817 312528336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315660 Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-9-3-11(7-25)8-27-17(9)18(30)28-12-4-13(10(2)15(22)5-12)21(19(23)24)14-6-16(14)31-20(26)29-21/h3-5,8,14,16,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 XMKYTVKGMXULHX-CMPZQBNXSA-N 171675 US9085576, 309::US9085576, 310::US9611261, Example 310 Beta-secretase 1 Homo sapiens 74.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415723 312528337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315661 Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-9-3-11(7-25)8-27-17(9)18(30)28-12-4-13(10(2)15(22)5-12)21(19(23)24)14-6-16(14)31-20(26)29-21/h3-5,8,14,16,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 XMKYTVKGMXULHX-CMPZQBNXSA-N 171675 US9085576, 309::US9085576, 310::US9611261, Example 310 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415723 312528337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315662 Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-9-3-11(7-25)8-27-17(9)18(30)28-12-4-13(10(2)15(22)5-12)21(19(23)24)14-6-16(14)31-20(26)29-21/h3-5,8,14,16,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m1/s1 XMKYTVKGMXULHX-ZJTDPSCFSA-N 171677 US9085576, 311::US9611261, Example 311 Beta-secretase 1 Homo sapiens 46.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412238 312528338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315663 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C19H15F5N4O3/c20-12-3-1-8(27-15(29)13-4-2-9(7-26-13)30-17(23)24)5-10(12)19(16(21)22)11-6-14(11)31-18(25)28-19/h1-5,7,11,14,16-17H,6H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m0/s1 SXVKFIGMVPEDBM-GEDNVKPRSA-N 171678 US9085576, 312::US9611261, Example 312 Beta-secretase 1 Homo sapiens 37.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412358 312528339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315664 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F InChI=1S/C20H15F3N4O2/c1-2-10-3-6-15(25-9-10)17(28)26-11-4-5-14(21)12(7-11)20(18(22)23)13-8-16(13)29-19(24)27-20/h1,3-7,9,13,16,18H,8H2,(H2,24,27)(H,26,28)/t13-,16+,20+/m0/s1 UALGPGJARGXESW-GQWAEJPESA-N 171679 US9085576, 313::US9611261, Example 313 Beta-secretase 1 Homo sapiens 24.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412855 312528340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315665 CC#Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H17F3N4O2/c1-2-3-11-4-7-16(26-10-11)18(29)27-12-5-6-15(22)13(8-12)21(19(23)24)14-9-17(14)30-20(25)28-21/h4-8,10,14,17,19H,9H2,1H3,(H2,25,28)(H,27,29)/t14-,17+,21+/m0/s1 IZRAPOMIDFYSRC-AVBTWRTFSA-N 171680 US9085576, 314::US9611261, Example 314 Beta-secretase 1 Homo sapiens 46.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413827 312528341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315666 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m0/s1 UZKQOQQRJKLGGG-VARDARPISA-N 171681 US9085576, 315::US9611261, Example 315 Beta-secretase 1 Homo sapiens 93.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412996 312528342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315667 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m1/s1 UZKQOQQRJKLGGG-KPGGICDASA-N 171525 US9085576, 159::US9085576, 160::US9085576, 316::US9611261, Example 316 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412894 312528193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315668 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl InChI=1S/C20H16ClF2N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(21)13(23)5-10)20(9-22)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m0/s1 IHCBQIHTSNGMPW-RPLLZPRCSA-N 171683 US9085576, 317::US9611261, Example 317 Beta-secretase 1 Homo sapiens 2.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413772 312528343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315669 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl InChI=1S/C20H16ClF2N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(21)13(23)5-10)20(9-22)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m1/s1 IHCBQIHTSNGMPW-LQGCGHSZSA-N 171684 US9085576, 318::US9611261, Example 318 Beta-secretase 1 Homo sapiens 4070 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414468 312528344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315670 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m1/s1 LUOFRFUNXXGHFC-VZSAFFHGSA-N 171690 US9085576, 319 Beta-secretase 1 Homo sapiens 10750 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412858 312528350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315671 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m0/s1 LUOFRFUNXXGHFC-UCMVZMLTSA-N 171819 US9085576, 320 Beta-secretase 1 Homo sapiens 56.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EJ7 6C2I 90411858 312528470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315672 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H13ClF3N5O2/c18-7-1-3-10(23-6-7)14(27)25-12-4-2-9(19)13(24-12)17(15(20)21)8-5-11(8)28-16(22)26-17/h1-4,6,8,11,15H,5H2,(H2,22,26)(H,24,25,27)/t8-,11+,17-/m0/s1 MZISXMZNBWUEAX-ZQOXVEAGSA-N 171691 US9085576, 321 Beta-secretase 1 Homo sapiens 339 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414819 312528351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315673 COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C17H17FN6O3/c1-17(8-5-11(8)27-16(19)24-17)14-9(18)3-4-12(22-14)23-15(25)10-6-21-13(26-2)7-20-10/h3-4,6-8,11H,5H2,1-2H3,(H2,19,24)(H,22,23,25)/t8-,11+,17-/m0/s1 HJJZDIBWJIBNSA-ZQOXVEAGSA-N 171692 US9085576, 322::US9611261, Example 322 Beta-secretase 1 Homo sapiens 1990 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412952 312528352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315674 COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C17H17FN6O3/c1-17(8-5-11(8)27-16(19)24-17)14-9(18)3-4-12(22-14)23-15(25)10-6-21-13(26-2)7-20-10/h3-4,6-8,11H,5H2,1-2H3,(H2,19,24)(H,22,23,25)/t8-,11+,17-/m1/s1 HJJZDIBWJIBNSA-AVDZXXLSSA-N 171693 US9085576, 323::US9611261, Example 323 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414903 312528353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315675 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15FN6O2/c1-18(10-6-13(10)27-17(21)25-18)15-11(19)3-5-14(23-15)24-16(26)12-4-2-9(7-20)8-22-12/h2-5,8,10,13H,6H2,1H3,(H2,21,25)(H,23,24,26)/t10-,13+,18-/m0/s1 KUQDHKGXFNPPOQ-PCJJGOFDSA-N 171694 US9085576, 324::US9611261, Example 324 Beta-secretase 1 Homo sapiens 149.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413734 312528354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315676 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15FN6O2/c1-18(10-6-13(10)27-17(21)25-18)15-11(19)3-5-14(23-15)24-16(26)12-4-2-9(7-20)8-22-12/h2-5,8,10,13H,6H2,1H3,(H2,21,25)(H,23,24,26)/t10-,13+,18-/m1/s1 KUQDHKGXFNPPOQ-SBOFIZKASA-N 171695 US9085576, 325::US9611261, Example 325 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414602 312528355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315677 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClFN5O2/c1-17(9-6-12(9)26-16(20)24-17)14-10(19)3-5-13(22-14)23-15(25)11-4-2-8(18)7-21-11/h2-5,7,9,12H,6H2,1H3,(H2,20,24)(H,22,23,25)/t9-,12+,17-/m0/s1 LAQCETLNRQMRPC-WUDNQAJYSA-N 171696 US9085576, 326::US9611261, Example 326 Beta-secretase 1 Homo sapiens 242.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412917 312528356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315678 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClFN5O2/c1-17(9-6-12(9)26-16(20)24-17)14-10(19)3-5-13(22-14)23-15(25)11-4-2-8(18)7-21-11/h2-5,7,9,12H,6H2,1H3,(H2,20,24)(H,22,23,25)/t9-,12+,17-/m1/s1 LAQCETLNRQMRPC-CIBPLQMKSA-N 171697 US9085576, 327::US9611261, Example 327 Beta-secretase 1 Homo sapiens 2135 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412774 312528357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315679 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H14Cl2FN5O2/c1-17(8-5-11(8)27-16(21)25-17)14-10(20)2-3-12(23-14)24-15(26)13-9(19)4-7(18)6-22-13/h2-4,6,8,11H,5H2,1H3,(H2,21,25)(H,23,24,26)/t8-,11+,17-/m0/s1 ZIDQBTKVZDTDQP-ZQOXVEAGSA-N 171698 US9085576, 328::US9611261, Example 328 Beta-secretase 1 Homo sapiens 103.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412256 312528358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315680 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H14Cl2FN5O2/c1-17(8-5-11(8)27-16(21)25-17)14-10(20)2-3-12(23-14)24-15(26)13-9(19)4-7(18)6-22-13/h2-4,6,8,11H,5H2,1H3,(H2,21,25)(H,23,24,26)/t8-,11+,17-/m1/s1 ZIDQBTKVZDTDQP-AVDZXXLSSA-N 171699 US9085576, 329::US9611261, Example 329 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413311 312528359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315681 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C18H13F3N6O2/c1-23-8-2-4-11(24-7-8)15(28)26-13-5-3-10(19)14(25-13)18(16(20)21)9-6-12(9)29-17(22)27-18/h2-5,7,9,12,16H,6H2,(H2,22,27)(H,25,26,28)/t9-,12+,18-/m0/s1 SGZYRTFSHSWPSV-QSOSSPEWSA-N 171700 US9085576, 330::US9085576, 331 Beta-secretase 1 Homo sapiens 100.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796785 312528360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315682 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C18H13F3N6O2/c1-23-8-2-4-11(24-7-8)15(28)26-13-5-3-10(19)14(25-13)18(16(20)21)9-6-12(9)29-17(22)27-18/h2-5,7,9,12,16H,6H2,(H2,22,27)(H,25,26,28)/t9-,12+,18-/m0/s1 SGZYRTFSHSWPSV-QSOSSPEWSA-N 171700 US9085576, 330::US9085576, 331 Beta-secretase 1 Homo sapiens 26700 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796785 312528360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315683 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC2(COC2)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF3N4O2/c21-10-1-4-16(26-7-10)19(8-29-9-19)27-11-2-3-14(22)12(5-11)20(17(23)24)13-6-15(13)30-18(25)28-20/h1-5,7,13,15,17,27H,6,8-9H2,(H2,25,28)/t13-,15+,20+/m0/s1 AKKPCSZTIFERLE-XBHMSOGKSA-N 171702 US9085576, 332::US9611261, Example 332 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441943 312528361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315684 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H15ClFN5O2/c1-17(10-5-13(10)26-16(20)24-17)11-4-9(7-22-14(11)19)23-15(25)12-3-2-8(18)6-21-12/h2-4,6-7,10,13H,5H2,1H3,(H2,20,24)(H,23,25)/t10-,13+,17-/m1/s1 LFPQUTJLZYXZEW-ANTHHZPCSA-N 171703 US9085576, 333::US9085576, 335::US9611261, Example 335 Beta-secretase 1 Homo sapiens 129.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441944 312528362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315685 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H15ClFN5O2/c1-17(10-5-13(10)26-16(20)24-17)11-4-9(7-22-14(11)19)23-15(25)12-3-2-8(18)6-21-12/h2-4,6-7,10,13H,5H2,1H3,(H2,20,24)(H,23,25)/t10-,13+,17-/m0/s1 LFPQUTJLZYXZEW-GDKCJGSASA-N 171704 US9085576, 334::US9611261, Example 334 Beta-secretase 1 Homo sapiens 94.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441945 312528363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315686 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H15ClFN5O2/c1-17(10-5-13(10)26-16(20)24-17)11-4-9(7-22-14(11)19)23-15(25)12-3-2-8(18)6-21-12/h2-4,6-7,10,13H,5H2,1H3,(H2,20,24)(H,23,25)/t10-,13+,17-/m1/s1 LFPQUTJLZYXZEW-ANTHHZPCSA-N 171703 US9085576, 333::US9085576, 335::US9611261, Example 335 Beta-secretase 1 Homo sapiens 14050 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441944 312528362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315687 COc1cnc(cn1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C17H17FN6O3/c1-17(9-4-12(9)27-16(19)24-17)10-3-8(5-22-14(10)18)23-15(25)11-6-21-13(26-2)7-20-11/h3,5-7,9,12H,4H2,1-2H3,(H2,19,24)(H,23,25)/t9-,12+,17-/m1/s1 OWJZAYUEGDUKMR-CIBPLQMKSA-N 171706 US9085576, 336::US9611261, Example 336 Beta-secretase 1 Homo sapiens 435.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441946 312528364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315688 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)O[C@H]4C[C@@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21-/m1/s1 AHSUGOLUVUBUCR-LDBYXDLTSA-N 171707 US9085576, 337::US9611261, Example 337 Beta-secretase 1 Homo sapiens 3345 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90391030 312528365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315689 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21-/m0/s1 AHSUGOLUVUBUCR-XPIZARPCSA-N 171708 US9085576, 338::US9611261, Example 338 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412775 312528366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315690 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)N=C(N)O[C@H]4C[C@@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21+/m1/s1 AHSUGOLUVUBUCR-KUDFPVQQSA-N 171709 US9085576, 339::US9611261, Example 339 Beta-secretase 1 Homo sapiens 8110 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401371 312528367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315691 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21+/m0/s1 AHSUGOLUVUBUCR-LUQKVYGDSA-N 171710 US9085576, 340::US9611261, Example 340 Beta-secretase 1 Homo sapiens 506.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412776 312528368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315692 NC1=C[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C21H16ClF3N4O/c22-11-3-10-1-2-27-20(19(10)28-8-11)29-12-4-14(18(25)15(24)5-12)21(9-23)7-17(26)30-16-6-13(16)21/h1-5,7-8,13,16H,6,9,26H2,(H,27,29)/t13-,16+,21+/m1/s1 DCYNKTBUADQJCB-QTPGKHNVSA-N 171711 US9085576, 341 Beta-secretase 1 Homo sapiens 3410 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796786 312528369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315693 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H15ClF3N5O/c21-10-3-9-1-2-26-18(17(9)27-7-10)28-11-4-13(16(24)14(23)5-11)20(8-22)12-6-15(12)30-19(25)29-20/h1-5,7,12,15H,6,8H2,(H2,25,29)(H,26,28)/t12-,15+,20-/m0/s1 VZDXLWUBRGHQQW-VHPWJVAPSA-N 171712 US9085576, 342::US9611261, Example 342 Beta-secretase 1 Homo sapiens 59.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418855 312528370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315694 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C21H15F3N6O/c22-9-21(14-5-17(14)31-20(26)30-21)13-4-11(1-2-15(13)23)29-19-18-12(16(24)8-28-19)3-10(6-25)7-27-18/h1-4,7-8,14,17H,5,9H2,(H2,26,30)(H,28,29)/t14-,17+,21+/m0/s1 OAGWAQKGDYRGIY-AVBTWRTFSA-N 171713 US9085576, 343::US9611261, Example 343 Beta-secretase 1 Homo sapiens 94.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441948 312528371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315695 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)ncc(F)c2c1 InChI=1S/C21H18F3N5O2/c1-30-11-5-12-16(24)8-27-19(18(12)26-7-11)28-10-2-3-15(23)13(4-10)21(9-22)14-6-17(14)31-20(25)29-21/h2-5,7-8,14,17H,6,9H2,1H3,(H2,25,29)(H,27,28)/t14-,17+,21+/m0/s1 IXEXTUJLOKGNRT-AVBTWRTFSA-N 171714 US9085576, 344::US9611261, Example 344 Beta-secretase 1 Homo sapiens 430000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441951 312528372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315696 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H16ClF2N5O/c21-11-5-10-3-4-25-18(17(10)26-8-11)27-12-1-2-15(23)13(6-12)20(9-22)14-7-16(14)29-19(24)28-20/h1-6,8,14,16H,7,9H2,(H2,24,28)(H,25,27)/t14-,16+,20+/m0/s1 FUZAGURRFYNOEZ-YYFZDKIDSA-N 171715 US9085576, 345::US9611261, Example 345 Beta-secretase 1 Homo sapiens 71.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418103 312528373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315697 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C21H16F2N6O/c22-10-21(15-7-17(15)30-20(25)29-21)14-6-13(1-2-16(14)23)28-19-18-12(3-4-26-19)5-11(8-24)9-27-18/h1-6,9,15,17H,7,10H2,(H2,25,29)(H,26,28)/t15-,17+,21+/m0/s1 CXIFRVFOODUWOY-LUQKVYGDSA-N 171716 US9085576, 346::US9611261, Example 346 Beta-secretase 1 Homo sapiens 53.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413216 312528374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315698 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H15ClF2N6O/c20-9-3-14-16(24-6-9)17(26-8-25-14)27-10-1-2-13(22)11(4-10)19(7-21)12-5-15(12)29-18(23)28-19/h1-4,6,8,12,15H,5,7H2,(H2,23,28)(H,25,26,27)/t12-,15+,19+/m0/s1 FZCGYUAKQBWNBW-IOHHAYIISA-N 171717 US9085576, 347::US9611261, Example 347 Beta-secretase 1 Homo sapiens 132.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441949 312528375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315699 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)nccc2c1 InChI=1S/C21H18F3N5O2/c1-30-12-6-10-4-5-26-18(17(10)27-9-12)28-11-2-3-15(22)13(7-11)21(19(23)24)14-8-16(14)31-20(25)29-21/h2-7,9,14,16,19H,8H2,1H3,(H2,25,29)(H,26,28)/t14-,16+,21+/m0/s1 VPFIYZIAYWHRCU-CMPZQBNXSA-N 171718 US9085576, 348::US9611261, Example 348 Beta-secretase 1 Homo sapiens 456 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441952 312528376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315700 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m1/s1 SQFZDAOSJQBZRX-QTPGKHNVSA-N 171719 US9085576, 349::US9085576, 351::US9611261, Example 351 Beta-secretase 1 Homo sapiens 82.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441950 312528377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315701 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m0/s1 SQFZDAOSJQBZRX-CQURBHOASA-N 171720 US9085576, 350::US9611261, Example 352 Beta-secretase 1 Homo sapiens 31.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441955 312528378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315702 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m1/s1 SQFZDAOSJQBZRX-QTPGKHNVSA-N 171719 US9085576, 349::US9085576, 351::US9611261, Example 351 Beta-secretase 1 Homo sapiens 2815 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441950 312528377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315703 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C21H14F4N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m0/s1 PRTGGXOKMBPMND-CQURBHOASA-N 171722 US9085576, 352 Beta-secretase 1 Homo sapiens 39.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441956 312528379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315704 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H14ClF3N6O/c20-8-3-13-15(25-6-8)16(27-7-26-13)28-9-1-2-12(21)10(4-9)19(17(22)23)11-5-14(11)30-18(24)29-19/h1-4,6-7,11,14,17H,5H2,(H2,24,29)(H,26,27,28)/t11-,14+,19+/m0/s1 IIDQFKOUXAAVEJ-GEDNVKPRSA-N 171723 US9085576, 353::US9611261, Example 353 Beta-secretase 1 Homo sapiens 63.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441953 312528380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315705 COc1cnc2c(Nc3ccc(F)c(c3F)[C@]3(CF)N=C(N)O[C@H]4C[C@@H]34)nccc2n1 InChI=1S/C20H17F3N6O2/c1-30-14-7-26-17-12(27-14)4-5-25-18(17)28-11-3-2-10(22)15(16(11)23)20(8-21)9-6-13(9)31-19(24)29-20/h2-5,7,9,13H,6,8H2,1H3,(H2,24,29)(H,25,28)/t9-,13+,20-/m1/s1 BXSMSABDFNJYGN-OUWCAGMASA-N 171724 US9085576, 354::US9611261, Example 354 Beta-secretase 1 Homo sapiens 12650 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441954 312528381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315706 COc1cnc2c(Nc3ccc(F)c(c3F)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C20H17F3N6O2/c1-30-14-7-26-17-12(27-14)4-5-25-18(17)28-11-3-2-10(22)15(16(11)23)20(8-21)9-6-13(9)31-19(24)29-20/h2-5,7,9,13H,6,8H2,1H3,(H2,24,29)(H,25,28)/t9-,13+,20-/m0/s1 BXSMSABDFNJYGN-MNZWIYERSA-N 171725 US9085576, 355::US9611261, Example 355 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232917 312528382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315707 COc1cnc2c(Nc3cc(Cl)c(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C20H17ClF2N6O2/c1-30-15-7-26-17-13(28-15)2-3-25-18(17)27-9-4-11(16(23)12(21)5-9)20(8-22)10-6-14(10)31-19(24)29-20/h2-5,7,10,14H,6,8H2,1H3,(H2,24,29)(H,25,27)/t10-,14+,20-/m0/s1 AIRVVSQMKHTADB-NOPHNCEQSA-N 171726 US9085576, 356::US9611261, Example 356 Beta-secretase 1 Homo sapiens 65.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413619 312528383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315708 CC(C)Oc1cnc2c(Nc3cc(Cl)c(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C22H21ClF2N6O2/c1-10(2)32-17-8-28-19-15(30-17)3-4-27-20(19)29-11-5-13(18(25)14(23)6-11)22(9-24)12-7-16(12)33-21(26)31-22/h3-6,8,10,12,16H,7,9H2,1-2H3,(H2,26,31)(H,27,29)/t12-,16+,22-/m0/s1 KUNYBHVUTOOITE-OLZZKDKNSA-N 171727 US9085576, 357::US9611261, Example 357 Beta-secretase 1 Homo sapiens 375 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413146 312528384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315709 Cn1cc2ccnc(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)c2n1 InChI=1S/C19H17F3N6O/c1-28-8-9-4-5-24-16(15(9)27-28)25-10-2-3-13(20)11(6-10)19(17(21)22)12-7-14(12)29-18(23)26-19/h2-6,8,12,14,17H,7H2,1H3,(H2,23,26)(H,24,25)/t12-,14+,19+/m0/s1 OLXJRIWXEQEBFV-BBEJJTJUSA-N 171728 US9085576, 358::US9611261, Example 358 Beta-secretase 1 Homo sapiens 2090 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441957 312528385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315710 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1Cl InChI=1S/C20H16Cl2FN5O/c21-11-5-10-3-4-25-18(17(10)26-8-11)27-12-1-2-15(22)13(6-12)20(9-23)14-7-16(14)29-19(24)28-20/h1-6,8,14,16H,7,9H2,(H2,24,28)(H,25,27)/t14-,16+,20+/m0/s1 GARKZCAOFKZGBJ-YYFZDKIDSA-N 171729 US9085576, 359::US9611261, Example 359 Beta-secretase 1 Homo sapiens 29.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441958 312528386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315711 COc1cnc2c(Nc3ccc(Cl)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C20H18ClFN6O2/c1-29-16-8-25-17-14(27-16)4-5-24-18(17)26-10-2-3-13(21)11(6-10)20(9-22)12-7-15(12)30-19(23)28-20/h2-6,8,12,15H,7,9H2,1H3,(H2,23,28)(H,24,26)/t12-,15+,20+/m0/s1 WYOUKRVSNTYSBY-PGICJIBASA-N 171730 US9085576, 360 Beta-secretase 1 Homo sapiens 1260 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796787 312528387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315712 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F InChI=1S/C20H14ClF4N5O/c21-8-3-10-14(23)7-28-17(16(10)27-6-8)29-9-1-2-13(22)11(4-9)20(18(24)25)12-5-15(12)31-19(26)30-20/h1-4,6-7,12,15,18H,5H2,(H2,26,30)(H,28,29)/t12-,15+,20+/m0/s1 VTUHOXQKXRKBSX-PGICJIBASA-N 171731 US9085576, 361::US9611261, Example 361 Beta-secretase 1 Homo sapiens 27.8 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441963 312528388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315713 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H15ClF3N5O/c21-10-5-9-3-4-26-17(16(9)27-8-10)28-11-1-2-14(22)12(6-11)20(18(23)24)13-7-15(13)30-19(25)29-20/h1-6,8,13,15,18H,7H2,(H2,25,29)(H,26,28)/t13-,15+,20+/m0/s1 LOYZQASPLIOLLF-XBHMSOGKSA-N 171732 US9085576, 362::US9611261, Example 362 Beta-secretase 1 Homo sapiens 33.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441964 312528389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315714 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H15ClF2N6O/c22-15-2-1-11(4-13(15)21(9-23)14-5-17(14)31-20(26)30-21)29-19-18-12(16(24)8-28-19)3-10(6-25)7-27-18/h1-4,7-8,14,17H,5,9H2,(H2,26,30)(H,28,29)/t14-,17+,21+/m0/s1 MMXLEVJOTFQDPO-AVBTWRTFSA-N 171733 US9085576, 363::US9611261, Example 363 Beta-secretase 1 Homo sapiens 68.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441960 312528390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315715 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)ncnc2c1 InChI=1S/C20H17F3N6O2/c1-30-10-5-14-16(25-7-10)17(27-8-26-14)28-9-2-3-13(21)11(4-9)20(18(22)23)12-6-15(12)31-19(24)29-20/h2-5,7-8,12,15,18H,6H2,1H3,(H2,24,29)(H,26,27,28)/t12-,15+,20+/m0/s1 FFBACYABQQVGMT-PGICJIBASA-N 171734 US9085576, 364::US9611261, Example 364 Beta-secretase 1 Homo sapiens 224 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441967 312528391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315716 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H14F6N6O/c21-11-2-1-8(5-9(11)19(17(22)23)10-6-13(10)33-18(27)32-19)30-16-15-12(3-4-28-16)31-14(7-29-15)20(24,25)26/h1-5,7,10,13,17H,6H2,(H2,27,32)(H,28,30)/t10-,13+,19+/m0/s1 VETAWZAPVXXBEP-KEVGGSHVSA-N 171735 US9085576, 365::US9611261, Example 365 Beta-secretase 1 Homo sapiens 204.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441961 312528392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315717 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H13F5N6O/c22-13-3-9(31-18-17-10(14(23)7-30-18)1-8(5-27)6-29-17)2-12(16(13)24)21(19(25)26)11-4-15(11)33-20(28)32-21/h1-3,6-7,11,15,19H,4H2,(H2,28,32)(H,30,31)/t11-,15+,21-/m1/s1 CYDMDHAKCFPJET-VNBSIWGGSA-N 171740 US9085576, 366::US9611261, Example 366 Beta-secretase 1 Homo sapiens >13700 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401372 312528397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315718 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H13F5N6O/c22-13-3-9(31-18-17-10(14(23)7-30-18)1-8(5-27)6-29-17)2-12(16(13)24)21(19(25)26)11-4-15(11)33-20(28)32-21/h1-3,6-7,11,15,19H,4H2,(H2,28,32)(H,30,31)/t11-,15+,21-/m0/s1 CYDMDHAKCFPJET-OCMWWKOBSA-N 171741 US9085576, 367::US9611261, Example 367 Beta-secretase 1 Homo sapiens 51.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413556 312528398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315719 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CCC2)ccc1F InChI=1S/C17H20F3N3O/c18-13-5-4-10(22-8-9-2-1-3-9)6-11(13)17(15(19)20)12-7-14(12)24-16(21)23-17/h4-6,9,12,14-15,22H,1-3,7-8H2,(H2,21,23)/t12-,14+,17+/m0/s1 IMOZIKXHTRGGMG-DXCKQFNASA-N 171742 US9085576, 368::US9611261, Example 368 Beta-secretase 1 Homo sapiens 2740 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232920 312528399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315720 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC#Cc2ccccc2)ccc1F InChI=1S/C21H18F3N3O/c22-17-9-8-14(26-10-4-7-13-5-2-1-3-6-13)11-15(17)21(19(23)24)16-12-18(16)28-20(25)27-21/h1-3,5-6,8-9,11,16,18-19,26H,10,12H2,(H2,25,27)/t16-,18+,21+/m0/s1 GYJKAKNMSJQHRK-YRISNDGFSA-N 171743 US9085576, 369::US9611261, Example 369 Beta-secretase 1 Homo sapiens 6635 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414687 312528400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315721 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)c2ccc(Cl)cc2)ccc1F InChI=1S/C22H21ClF3N3O/c23-13-3-1-12(2-4-13)21(7-8-21)11-28-14-5-6-17(24)15(9-14)22(19(25)26)16-10-18(16)30-20(27)29-22/h1-6,9,16,18-19,28H,7-8,10-11H2,(H2,27,29)/t16-,18+,22+/m0/s1 SXNZDNAXNDWVBG-AQOAWAETSA-N 171744 US9085576, 370::US9611261, Example 370 Beta-secretase 1 Homo sapiens 13650 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441966 312528401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315722 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC[C@@H]2C[C@H]2c2ccccc2)ccc1F InChI=1S/C22H22F3N3O/c23-18-7-6-14(27-11-13-8-15(13)12-4-2-1-3-5-12)9-16(18)22(20(24)25)17-10-19(17)29-21(26)28-22/h1-7,9,13,15,17,19-20,27H,8,10-11H2,(H2,26,28)/t13-,15-,17-,19+,22+/m0/s1 LXUQPRSGZIRWPM-FECXXQJTSA-N 171745 US9085576, 371::US9611261, Example 371 Beta-secretase 1 Homo sapiens 11160 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441968 312528402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315723 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC[C@H]2C[C@H]2c2ccccc2)ccc1F InChI=1S/C22H22F3N3O/c23-18-7-6-14(27-11-13-8-15(13)12-4-2-1-3-5-12)9-16(18)22(20(24)25)17-10-19(17)29-21(26)28-22/h1-7,9,13,15,17,19-20,27H,8,10-11H2,(H2,26,28)/t13-,15+,17+,19-,22-/m1/s1 LXUQPRSGZIRWPM-KTPWHWSHSA-N 171746 US9085576, 372::US9611261, Example 372 Beta-secretase 1 Homo sapiens 9415 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441974 312528403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315724 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H16ClF4N5O/c18-11-6-27(15(21)22)26-13(11)5-24-8-1-2-12(20)9(3-8)17(7-19)10-4-14(10)28-16(23)25-17/h1-3,6,10,14-15,24H,4-5,7H2,(H2,23,25)/t10-,14+,17+/m0/s1 KMTJPQQMWNENRF-NCAQKEMTSA-N 171747 US9085576, 373::US9611261, Example 373 Beta-secretase 1 Homo sapiens 159 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441969 312528404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315725 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H15ClF5N5O/c18-10-6-28(15(22)23)27-12(10)5-25-7-1-2-11(19)8(3-7)17(14(20)21)9-4-13(9)29-16(24)26-17/h1-3,6,9,13-15,25H,4-5H2,(H2,24,26)/t9-,13+,17+/m0/s1 LBZXMAYIHGTAKB-VNQQYTOKSA-N 171748 US9085576, 374::US9611261, Example 374 Beta-secretase 1 Homo sapiens 95.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441975 312528405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315726 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC(=C)C2)ccc1F InChI=1S/C18H20F3N3O/c1-9-4-10(5-9)8-23-11-2-3-14(19)12(6-11)18(16(20)21)13-7-15(13)25-17(22)24-18/h2-3,6,10,13,15-16,23H,1,4-5,7-8H2,(H2,22,24)/t13-,15+,18+/m0/s1 HBTHVDASSXYJDR-JCKWVBRZSA-N 171749 US9085576, 375::US9611261, Example 375 Beta-secretase 1 Homo sapiens 5995 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441970 312528406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315727 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)C(F)(F)F)ccc1F InChI=1S/C17H17F6N3O/c18-11-2-1-8(25-7-15(3-4-15)17(21,22)23)5-9(11)16(13(19)20)10-6-12(10)27-14(24)26-16/h1-2,5,10,12-13,25H,3-4,6-7H2,(H2,24,26)/t10-,12+,16+/m0/s1 FVRKAMWQOVYFOD-KANYHAFZSA-N 171750 US9085576, 376::US9611261, Example 376 Beta-secretase 1 Homo sapiens 2100 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441973 312528407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315728 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCc2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O/c19-9-1-2-11(24-7-9)8-25-10-3-4-14(20)12(5-10)18(16(21)22)13-6-15(13)27-17(23)26-18/h1-5,7,13,15-16,25H,6,8H2,(H2,23,26)/t13-,15+,18+/m0/s1 SBYSXUHBXCZGCH-JCKWVBRZSA-N 171751 US9085576, 377::US9611261, Example 377 Beta-secretase 1 Homo sapiens 2845 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232935 312528408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315729 C[C@@H](Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cn1 InChI=1S/C19H18ClF3N4O/c1-9(15-5-2-10(20)8-25-15)26-11-3-4-14(21)12(6-11)19(17(22)23)13-7-16(13)28-18(24)27-19/h2-6,8-9,13,16-17,26H,7H2,1H3,(H2,24,27)/t9-,13+,16-,19-/m1/s1 URMHMSCMGWZVRD-WCSJZASUSA-N 171752 US9085576, 378::US9611261, Example 378 Beta-secretase 1 Homo sapiens 13850 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413328 312528409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315730 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC2)ccc1F InChI=1S/C16H18F3N3O/c17-12-4-3-9(21-7-8-1-2-8)5-10(12)16(14(18)19)11-6-13(11)23-15(20)22-16/h3-5,8,11,13-14,21H,1-2,6-7H2,(H2,20,22)/t11-,13+,16+/m0/s1 FEZOKDYDXFLFHJ-NORZTCDRSA-N 171753 US9085576, 379::US9611261, Example 379 Beta-secretase 1 Homo sapiens 1410 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414259 312528410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315731 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(Br)cnc23)ccc1F InChI=1S/C20H18BrF3N4O/c21-10-5-9-1-4-15(17(9)26-8-10)27-11-2-3-14(22)12(6-11)20(18(23)24)13-7-16(13)29-19(25)28-20/h2-3,5-6,8,13,15-16,18,27H,1,4,7H2,(H2,25,28)/t13-,15-,16+,20+/m0/s1 OANSAWVWHAEMIE-WBZSCFCESA-N 171754 US9085576, 380::US9085576, 381 Beta-secretase 1 Homo sapiens 143 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412343 312528411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315732 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(Br)cnc23)ccc1F InChI=1S/C20H18BrF3N4O/c21-10-5-9-1-4-15(17(9)26-8-10)27-11-2-3-14(22)12(6-11)20(18(23)24)13-7-16(13)29-19(25)28-20/h2-3,5-6,8,13,15-16,18,27H,1,4,7H2,(H2,25,28)/t13-,15-,16+,20+/m0/s1 OANSAWVWHAEMIE-WBZSCFCESA-N 171754 US9085576, 380::US9085576, 381 Beta-secretase 1 Homo sapiens 3445 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412343 312528411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315733 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F InChI=1S/C21H20BrF3N4O/c22-11-6-10-2-1-3-16(18(10)27-9-11)28-12-4-5-15(23)13(7-12)21(19(24)25)14-8-17(14)30-20(26)29-21/h4-7,9,14,16-17,19,28H,1-3,8H2,(H2,26,29)/t14-,16-,17+,21+/m0/s1 MRKDFUXEARNASF-JKXYVKTPSA-N 171756 US9085576, 382::US9611261, Example 382 Beta-secretase 1 Homo sapiens 3070 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414728 312528412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315734 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCOc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F3N5O2/c22-14-2-1-11(28-15-3-4-30-17-5-10(8-25)9-27-18(15)17)6-12(14)21(19(23)24)13-7-16(13)31-20(26)29-21/h1-2,5-6,9,13,15-16,19,28H,3-4,7H2,(H2,26,29)/t13-,15-,16+,21+/m0/s1 DNAMOTNFMBBMCL-RYSHRAHSSA-N 171757 US9085576, 383 Beta-secretase 1 Homo sapiens 968 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796788 312528413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315735 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(Br)ccc23)ccc1F InChI=1S/C21H19BrF3N3O/c22-11-2-4-13-10(7-11)1-6-17(13)27-12-3-5-16(23)14(8-12)21(19(24)25)15-9-18(15)29-20(26)28-21/h2-5,7-8,15,17-19,27H,1,6,9H2,(H2,26,28)/t15-,17+,18+,21+/m0/s1 GONJLOPRGIEGPW-NWUWZPLHSA-N 171758 US9085576, 384 Beta-secretase 1 Homo sapiens 315 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413473 312528414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315736 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2coc3cc(Cl)ccc23)ccc1F InChI=1S/C20H15ClF3N3O2/c21-9-1-3-11-15(8-28-16(11)5-9)26-10-2-4-14(22)12(6-10)20(18(23)24)13-7-17(13)29-19(25)27-20/h1-6,8,13,17-18,26H,7H2,(H2,25,27)/t13-,17+,20+/m0/s1 RWEUGJXOBLKFLH-WSXQUGQNSA-N 171759 US9085576, 385 Beta-secretase 1 Homo sapiens 253 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796789 312528415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315737 COCc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C21H19ClFN5O3/c1-30-9-12-4-11(7-24)8-26-18(12)19(29)27-13-2-3-16(22)14(5-13)21(10-23)15-6-17(15)31-20(25)28-21/h2-5,8,15,17H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t15-,17+,21+/m0/s1 BLGCBNUPTOZJEI-LUQKVYGDSA-N 171760 US9085576, 386::US9611261, Example 386 Beta-secretase 1 Homo sapiens 25.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414103 312528416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315738 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2CO)C#N)ccc1Cl InChI=1S/C20H17ClFN5O3/c21-15-2-1-12(26-18(29)17-11(8-28)3-10(6-23)7-25-17)4-13(15)20(9-22)14-5-16(14)30-19(24)27-20/h1-4,7,14,16,28H,5,8-9H2,(H2,24,27)(H,26,29)/t14-,16+,20+/m0/s1 ARSMQLBXAZNREZ-YYFZDKIDSA-N 171761 US9085576, 387::US9611261, Example 387 Beta-secretase 1 Homo sapiens 39.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415711 312528417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315739 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F InChI=1S/C19H13F4N5O2/c20-12-2-1-9(27-16(29)15-13(21)3-8(6-24)7-26-15)4-10(12)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m0/s1 ACMNQBSTEIFJRZ-GEDNVKPRSA-N 171762 US9085576, 388::US9611261, Example 388 Beta-secretase 1 Homo sapiens 35.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412500 312528418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315740 CN(C)c1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H19F3N6O2/c1-30(2)15-5-10(8-25)9-27-17(15)18(31)28-11-3-4-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(26)29-21/h3-6,9,13,16,19H,7H2,1-2H3,(H2,26,29)(H,28,31)/t13-,16+,21+/m0/s1 CTXHGUNUOFMKFA-CQURBHOASA-N 171763 US9085576, 389::US9611261, Example 389 Beta-secretase 1 Homo sapiens 91.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413017 312528419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315741 Cc1cc(NC(=O)c2ccc(cn2)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H16F3N5O2/c1-9-4-11(27-17(29)14-3-2-10(7-24)8-26-14)5-13(16(9)21)20(18(22)23)12-6-15(12)30-19(25)28-20/h2-5,8,12,15,18H,6H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 XMOMFAKQVCWDSI-VHPWJVAPSA-N 171764 US9085576, 390::US9611261, Example 390 Beta-secretase 1 Homo sapiens 25 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415337 312528420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315742 COCc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O3/c1-31-9-11-4-10(7-25)8-27-17(11)18(30)28-12-2-3-15(22)13(5-12)21(19(23)24)14-6-16(14)32-20(26)29-21/h2-5,8,14,16,19H,6,9H2,1H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 FRWRCZUTKLUTCA-CMPZQBNXSA-N 171765 US9085576, 391::US9611261, Example 391 Beta-secretase 1 Homo sapiens 11.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468944 312528421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315743 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F InChI=1S/C20H15F2N7O/c21-8-20(13-5-16(13)30-19(24)29-20)12-4-11(1-2-14(12)22)28-18-17-15(26-9-27-18)3-10(6-23)7-25-17/h1-4,7,9,13,16H,5,8H2,(H2,24,29)(H,26,27,28)/t13-,16+,20+/m0/s1 FBLBMOXRAUBKNM-GQWAEJPESA-N 171767 US9085576, 393::US9611261, Example 393 Beta-secretase 1 Homo sapiens 197.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418607 312528422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315744 CC(C)c1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C22H20F3N5O2/c1-10(2)13-5-11(8-26)9-28-18(13)19(31)29-12-3-4-16(23)14(6-12)22(20(24)25)15-7-17(15)32-21(27)30-22/h3-6,9-10,15,17,20H,7H2,1-2H3,(H2,27,30)(H,29,31)/t15-,17+,22+/m0/s1 HEVIYSQQEXXNKV-LBUQITIBSA-N 171768 US9085576, 394::US9611261, Example 394 Beta-secretase 1 Homo sapiens 134 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413042 312528423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315745 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F InChI=1S/C20H14F5N5O2/c21-13-2-1-9(29-17(31)15-10(16(22)23)3-8(6-26)7-28-15)4-11(13)20(18(24)25)12-5-14(12)32-19(27)30-20/h1-4,7,12,14,16,18H,5H2,(H2,27,30)(H,29,31)/t12-,14+,20+/m0/s1 SBQBGLAUJCFWAC-KBARZSOFSA-N 171769 US9085576, 395::US9611261, Example 395 Beta-secretase 1 Homo sapiens 14.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441979 312528424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315746 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2CO)C#N)ccc1F InChI=1S/C20H16F3N5O3/c21-14-2-1-11(27-17(30)16-10(8-29)3-9(6-24)7-26-16)4-12(14)20(18(22)23)13-5-15(13)31-19(25)28-20/h1-4,7,13,15,18,29H,5,8H2,(H2,25,28)(H,27,30)/t13-,15+,20+/m0/s1 ADHBNWBXFLWOBM-XBHMSOGKSA-N 171770 US9085576, 396::US9611261, Example 396 Beta-secretase 1 Homo sapiens 17 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411892 312528425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315747 COc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H17ClFN5O3/c1-29-16-4-10(7-23)8-25-17(16)18(28)26-11-2-3-14(21)12(5-11)20(9-22)13-6-15(13)30-19(24)27-20/h2-5,8,13,15H,6,9H2,1H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 PFLFWUIUEDSAPS-XBHMSOGKSA-N 171771 US9085576, 397::US9611261, Example 397 Beta-secretase 1 Homo sapiens 81 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414789 312528426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315748 Cc1cc(NC(=O)c2ncc(cc2F)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H15F4N5O2/c1-8-2-10(28-17(30)16-13(21)3-9(6-25)7-27-16)4-12(15(8)22)20(18(23)24)11-5-14(11)31-19(26)29-20/h2-4,7,11,14,18H,5H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 ZTOCLLOTNFZANZ-CJAGKMTESA-N 171772 US9085576, 398::US9611261, Example 398 Beta-secretase 1 Homo sapiens 33.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412624 312528427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315749 COc1cc(cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O3/c1-9-3-11(28-18(30)17-15(31-2)4-10(7-25)8-27-17)5-13(16(9)22)21(19(23)24)12-6-14(12)32-20(26)29-21/h3-5,8,12,14,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t12-,14+,21-/m0/s1 XUJMAOPOLASZII-UPBLURMWSA-N 171773 US9085576, 399::US9611261, Example 399 Beta-secretase 1 Homo sapiens 70.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412337 312528428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315750 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C21H18F3N5O/c1-26-12-6-10-2-5-16(18(10)27-9-12)28-11-3-4-15(22)13(7-11)21(19(23)24)14-8-17(14)30-20(25)29-21/h3-4,6-7,9,14,16-17,19,28H,2,5,8H2,(H2,25,29)/t14-,16+,17+,21+/m0/s1 IDXJWGJKLDSJCQ-CTRXZIQJSA-N 171776 US9085576, 401 Beta-secretase 1 Homo sapiens 108.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796790 312528430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315751 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F3N5O/c22-15-3-2-12(28-16-4-1-11-5-10(8-25)9-27-18(11)16)6-13(15)21(19(23)24)14-7-17(14)30-20(26)29-21/h2-3,5-6,9,14,16-17,19,28H,1,4,7H2,(H2,26,29)/t14-,16-,17+,21+/m0/s1 PWVNMXMCCBDBCO-JKXYVKTPSA-N 171777 US9085576, 402::US9611261, Example 404 Beta-secretase 1 Homo sapiens 976 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414650 312528431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315752 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCCc3cc(cnc23)C#N)ccc1F InChI=1S/C22H20F3N5O/c23-16-5-4-13(29-17-3-1-2-12-6-11(9-26)10-28-19(12)17)7-14(16)22(20(24)25)15-8-18(15)31-21(27)30-22/h4-7,10,15,17-18,20,29H,1-3,8H2,(H2,27,30)/t15-,17+,18+,22+/m0/s1 VCEFWDCBOOSZMH-VXCZRNDOSA-N 171778 US9085576, 403 Beta-secretase 1 Homo sapiens 2855 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413221 312528432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315753 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F3N5O/c22-15-3-2-12(28-16-4-1-11-5-10(8-25)9-27-18(11)16)6-13(15)21(19(23)24)14-7-17(14)30-20(26)29-21/h2-3,5-6,9,14,16-17,19,28H,1,4,7H2,(H2,26,29)/t14-,16+,17+,21+/m0/s1 PWVNMXMCCBDBCO-CTRXZIQJSA-N 171779 US9085576, 404::US9611261, Example 401 Beta-secretase 1 Homo sapiens 291 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401359 312528433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315754 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C23H19F3N4O2/c24-17-7-6-14(9-15(17)23(21(25)26)16-10-19(16)32-22(27)30-23)29-20(31)18-8-5-13(11-28-18)4-3-12-1-2-12/h5-9,11-12,16,19,21H,1-2,10H2,(H2,27,30)(H,29,31)/t16-,19+,23+/m0/s1 LQVCSSUYGWAQCN-XKDCRVNJSA-N 171780 US9085576, 405::US9611261, Example 405 Beta-secretase 1 Homo sapiens 23.7 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413279 312528434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315755 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H20F3N5O/c26-19-6-5-16(10-17(19)25(23(27)28)18-11-20(18)34-24(29)33-25)32-22-21-15(7-8-30-22)9-14(12-31-21)4-3-13-1-2-13/h5-10,12-13,18,20,23H,1-2,11H2,(H2,29,33)(H,30,32)/t18-,20+,25+/m0/s1 KCZXXIWSMZBSBG-DMJCMNNJSA-N 171781 US9085576, 406::US9611261, Example 406 Beta-secretase 1 Homo sapiens 75.9 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413352 312528435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315756 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C22H18F3N5O2/c23-16-6-5-12(7-14(16)22(20(24)25)15-8-18(15)32-21(26)30-22)29-19(31)17-10-27-13(9-28-17)4-3-11-1-2-11/h5-7,9-11,15,18,20H,1-2,8H2,(H2,26,30)(H,29,31)/t15-,18+,22+/m0/s1 GBSYDTRRDYKGMY-QXATTWAWSA-N 171782 US9085576, 407::US9611261, Example 407 Beta-secretase 1 Homo sapiens 29.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413025 312528436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315757 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H19F4N5O/c26-18-6-5-14(8-16(18)25(23(28)29)17-9-20(17)35-24(30)34-25)33-22-21-15(19(27)11-32-22)7-13(10-31-21)4-3-12-1-2-12/h5-8,10-12,17,20,23H,1-2,9H2,(H2,30,34)(H,32,33)/t17-,20+,25+/m0/s1 RVWGWAZRTMUMPL-WVFSIPRWSA-N 171783 US9085576, 408::US9611261, Example 408 Beta-secretase 1 Homo sapiens 46.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413254 312528437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315758 CC1(COC1)C#Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C24H21F3N4O3/c1-23(11-33-12-23)7-6-13-2-5-18(29-10-13)20(32)30-14-3-4-17(25)15(8-14)24(21(26)27)16-9-19(16)34-22(28)31-24/h2-5,8,10,16,19,21H,9,11-12H2,1H3,(H2,28,31)(H,30,32)/t16-,19+,24+/m0/s1 CTSPAIGCGPZRMT-LSRZYVKLSA-N 171784 US9085576, 409::US9611261, Example 409 Beta-secretase 1 Homo sapiens 327 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90417761 312528438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315759 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#CC3CC3)cn2)ccc1F InChI=1S/C23H20F3N5O3/c24-16-6-5-13(8-14(16)23(21(25)26)15-9-18(15)34-22(27)31-23)30-20(32)17-10-29-19(11-28-17)33-7-1-2-12-3-4-12/h5-6,8,10-12,15,18,21H,3-4,7,9H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1 WSMJOWMIYRWMSR-TUVUNVSASA-N 171786 US9085576, 411 Beta-secretase 1 Homo sapiens 7.6 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232927 312528439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315760 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCOCC3)cn2)ccc1F InChI=1S/C23H24F3N5O4/c24-16-2-1-13(7-14(16)23(21(25)26)15-8-18(15)35-22(27)31-23)30-20(32)17-9-29-19(10-28-17)34-11-12-3-5-33-6-4-12/h1-2,7,9-10,12,15,18,21H,3-6,8,11H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1 LABLWWZXLRYFFH-TUVUNVSASA-N 171787 US9085576, 412::US9611261, Example 412 Beta-secretase 1 Homo sapiens 128.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413156 312528440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315761 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCOC3)cn2)ccc1F InChI=1S/C22H22F3N5O4/c23-15-2-1-12(5-13(15)22(20(24)25)14-6-17(14)34-21(26)30-22)29-19(31)16-7-28-18(8-27-16)33-10-11-3-4-32-9-11/h1-2,5,7-8,11,14,17,20H,3-4,6,9-10H2,(H2,26,30)(H,29,31)/t11?,14-,17+,22+/m0/s1 XWQLHWXUPYZIOB-RPKGZOSKSA-N 171788 US9085576, 413::US9611261, Example 413 Beta-secretase 1 Homo sapiens 145 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118359398 312528441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315762 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC=C)cn2)ccc1F InChI=1S/C20H18F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h2-4,6,8-9,12,15,18H,1,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 XAFGLGFUYWBSKZ-PGICJIBASA-N 171789 US9085576, 414::US9611261, Example 414 Beta-secretase 1 Homo sapiens 48 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418556 312528442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315763 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C21H20F3N5O3/c22-14-4-3-11(5-12(14)21(19(23)24)13-6-16(13)32-20(25)29-21)28-18(30)15-7-27-17(8-26-15)31-9-10-1-2-10/h3-5,7-8,10,13,16,19H,1-2,6,9H2,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1 FIBUECHFKPACDU-CQURBHOASA-N 171790 US9085576, 415::US9611261, Example 415 Beta-secretase 1 Homo sapiens 43 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412660 312528443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315764 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCCCC3)cn2)ccc1F InChI=1S/C24H26F3N5O3/c25-17-7-6-14(8-15(17)24(22(26)27)16-9-19(16)35-23(28)32-24)31-21(33)18-10-30-20(11-29-18)34-12-13-4-2-1-3-5-13/h6-8,10-11,13,16,19,22H,1-5,9,12H2,(H2,28,32)(H,31,33)/t16-,19+,24+/m0/s1 NUUPKCHRHGMYQJ-LSRZYVKLSA-N 171791 US9085576, 416::US9611261, Example 416 Beta-secretase 1 Homo sapiens 12.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413838 312528444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315765 CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H18F3N5O3/c1-2-29-15-8-24-13(7-25-15)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-14(11)30-18(23)27-19/h3-5,7-8,11,14,17H,2,6H2,1H3,(H2,23,27)(H,26,28)/t11-,14+,19+/m0/s1 AYUPPZKCXHKHGY-GEDNVKPRSA-N 171792 US9085576, 417::US9611261, Example 417 Beta-secretase 1 Homo sapiens 115.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415602 312528445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315766 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCCC3)cn2)ccc1F InChI=1S/C23H24F3N5O3/c24-16-6-5-13(7-14(16)23(21(25)26)15-8-18(15)34-22(27)31-23)30-20(32)17-9-29-19(10-28-17)33-11-12-3-1-2-4-12/h5-7,9-10,12,15,18,21H,1-4,8,11H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1 JAYZFXNOCKMFGQ-TUVUNVSASA-N 171793 US9085576, 418::US9611261, Example 418 Beta-secretase 1 Homo sapiens 26.1 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412704 312528446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315767 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CO)ccc1F InChI=1S/C19H16ClF3N4O3/c20-9-3-8(7-28)15(25-6-9)16(29)26-10-1-2-13(21)11(4-10)19(17(22)23)12-5-14(12)30-18(24)27-19/h1-4,6,12,14,17,28H,5,7H2,(H2,24,27)(H,26,29)/t12-,14+,19+/m0/s1 PVPHWPFXWLZOIV-BBEJJTJUSA-N 171794 US9085576, 419 Beta-secretase 1 Homo sapiens 33.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413325 312528447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315768 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CO)ccc1Cl InChI=1S/C19H17Cl2FN4O3/c20-10-3-9(7-27)16(24-6-10)17(28)25-11-1-2-14(21)12(4-11)19(8-22)13-5-15(13)29-18(23)26-19/h1-4,6,13,15,27H,5,7-8H2,(H2,23,26)(H,25,28)/t13-,15+,19+/m0/s1 CZXRKTLWYZEHFO-ZBQZNYHESA-N 171795 US9085576, 420::US9611261, Example 420 Beta-secretase 1 Homo sapiens 51.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413150 312528448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315769 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NS(=O)(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4O3S/c18-8-1-4-14(23-7-8)29(26,27)25-9-2-3-12(19)10(5-9)17(15(20)21)11-6-13(11)28-16(22)24-17/h1-5,7,11,13,15,25H,6H2,(H2,22,24)/t11-,13+,17+/m0/s1 IELPNUBNHREWFS-XTQGRXLLSA-N 171796 US9085576, 421::US9611261, Example 421 Beta-secretase 1 Homo sapiens 14150 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401360 312528449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315770 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H](c2ccc(Cl)cn2)C(F)(F)F)ccc1F InChI=1S/C19H15ClF6N4O/c20-8-1-4-13(28-7-8)15(19(24,25)26)29-9-2-3-12(21)10(5-9)18(16(22)23)11-6-14(11)31-17(27)30-18/h1-5,7,11,14-16,29H,6H2,(H2,27,30)/t11-,14+,15+,18+/m0/s1 PVBRUYSYBPCAJO-WMNQNFFBSA-N 171797 US9085576, 422::US9611261, Example 422 Beta-secretase 1 Homo sapiens 5245 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401361 312528450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315771 NC1=NC(CF)(C2CC2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H16ClFN4O2/c19-11-4-5-14(22-8-11)16(25)23-12-3-1-2-10(6-12)18(9-20)13-7-15(13)26-17(21)24-18/h1-6,8,13,15H,7,9H2,(H2,21,24)(H,23,25) SUUKHIFMZQJKSQ-UHFFFAOYSA-N 171798 US9085576, 423 Beta-secretase 1 Homo sapiens 396.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796791 312528451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315772 CS(=O)(=O)c1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O4S/c1-31(28,29)16-12(19(8-21)11-6-15(11)30-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 RFUKQPXMWFDGCT-CQOVVYFZSA-N 171799 US9085576, 424::US9611261, Example 424 Beta-secretase 1 Homo sapiens 1035 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796792 312528452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315773 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 InChI=1S/C19H13ClF3N3O2/c20-9-2-4-13-15(6-9)27-16(25-13)8-1-3-12(21)10(5-8)19(17(22)23)11-7-14(11)28-18(24)26-19/h1-6,11,14,17H,7H2,(H2,24,26)/t11-,14+,19+/m1/s1 OYSKNFZAYPELTO-WQBCIRTESA-N 171800 US9085576, 425 Beta-secretase 1 Homo sapiens 613.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412941 312528453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315774 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 InChI=1S/C19H13ClF3N3O2/c20-9-2-4-13-15(6-9)27-16(25-13)8-1-3-12(21)10(5-8)19(17(22)23)11-7-14(11)28-18(24)26-19/h1-6,11,14,17H,7H2,(H2,24,26)/t11-,14+,19+/m0/s1 OYSKNFZAYPELTO-GEDNVKPRSA-N 171801 US9085576, 426 Beta-secretase 1 Homo sapiens 1236.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413705 312528454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315775 COC[C@H](C)NC(=O)c1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C17H20F3N3O3/c1-8(7-25-2)22-14(24)9-3-4-12(18)10(5-9)17(15(19)20)11-6-13(11)26-16(21)23-17/h3-5,8,11,13,15H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t8-,11+,13-,17-/m0/s1 ANIGUUQHMJMCED-MMMFPXGYSA-N 171802 US9085576, 427::US9611261, Example 427 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414773 312528455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315776 COC[C@H](C)NC(=O)c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C17H20F3N3O3/c1-8(7-25-2)22-14(24)9-3-4-12(18)10(5-9)17(15(19)20)11-6-13(11)26-16(21)23-17/h3-5,8,11,13,15H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t8-,11-,13+,17+/m0/s1 ANIGUUQHMJMCED-YHFRSODSSA-N 171803 US9085576, 428::US9611261, Example 428 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413180 312528456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315777 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H16F3N3O/c1-2-3-11-6-13(10-25-9-11)12-4-5-16(21)14(7-12)20(18(22)23)15-8-17(15)27-19(24)26-20/h4-7,9-10,15,17-18H,8H2,1H3,(H2,24,26)/t15-,17+,20+/m0/s1 PYKIYRAPQBZWOP-XAUMDUMWSA-N 171804 US9085576, 429::US9085576, 431::US9611261, Example 429 Beta-secretase 1 Homo sapiens 1047.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413015 312528457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315778 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C20H16F3N3O/c1-2-3-11-6-13(10-25-9-11)12-4-5-16(21)14(7-12)20(18(22)23)15-8-17(15)27-19(24)26-20/h4-7,9-10,15,17-18H,8H2,1H3,(H2,24,26)/t15-,17+,20+/m1/s1 PYKIYRAPQBZWOP-SYNHAJSKSA-N 171805 US9085576, 430::US9611261, Example 430 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441988 312528458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315779 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H16F3N3O/c1-2-3-11-6-13(10-25-9-11)12-4-5-16(21)14(7-12)20(18(22)23)15-8-17(15)27-19(24)26-20/h4-7,9-10,15,17-18H,8H2,1H3,(H2,24,26)/t15-,17+,20+/m0/s1 PYKIYRAPQBZWOP-XAUMDUMWSA-N 171804 US9085576, 429::US9085576, 431::US9611261, Example 429 Beta-secretase 1 Homo sapiens 4685 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413015 312528457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315780 CC#Cc1cncc(c1)-c1cc(c(F)cc1CO)C1(CF)N=C(N)OC2CC12 InChI=1S/C21H19F2N3O2/c1-2-3-12-4-13(9-25-8-12)15-6-16(18(23)5-14(15)10-27)21(11-22)17-7-19(17)28-20(24)26-21/h4-6,8-9,17,19,27H,7,10-11H2,1H3,(H2,24,26) PKJFXFCWNXHQTP-UHFFFAOYSA-N 171807 US9085576, 432 Beta-secretase 1 Homo sapiens 33135 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796793 312528459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315781 OCc1cc(F)c(cc1-c1cncc(F)c1)C1(CF)NC(=N)OC2CC12 InChI=1S/C18H16F3N3O2/c19-8-18(14-4-16(14)26-17(22)24-18)13-3-12(10(7-25)2-15(13)21)9-1-11(20)6-23-5-9/h1-3,5-6,14,16,25H,4,7-8H2,(H2,22,24) HMEVXGWCKDIWSV-UHFFFAOYSA-N 171808 US9085576, 433 Beta-secretase 1 Homo sapiens 23099 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796794 312528460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315782 CC#Cc1cnn(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H15F3N4O/c1-2-3-10-8-23-25(9-10)11-4-5-14(19)12(6-11)18(16(20)21)13-7-15(13)26-17(22)24-18/h4-6,8-9,13,15-16H,7H2,1H3,(H2,22,24)/t13-,15+,18+/m0/s1 KVOAJAZSZMWESI-JCKWVBRZSA-N 171809 US9085576, 434::US9611261, Example 434 Beta-secretase 1 Homo sapiens 1210 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413304 312528461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315783 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-n1cc(cn1)C#CC1CC1 InChI=1S/C20H17F3N4O/c21-16-6-5-13(27-10-12(9-25-27)4-3-11-1-2-11)7-14(16)20(18(22)23)15-8-17(15)28-19(24)26-20/h5-7,9-11,15,17-18H,1-2,8H2,(H2,24,26)/t15-,17+,20+/m0/s1 IKXALYONKLWWTC-XAUMDUMWSA-N 171810 US9085576, 435::US9611261, Example 435 Beta-secretase 1 Homo sapiens 8625 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441997 312528462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315784 COC(=O)c1ccc(cc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H17F4N3O4/c1-31-18(30)10-4-2-9(3-5-10)17(29)27-11-6-13(16(23)14(22)7-11)21(19(24)25)12-8-15(12)32-20(26)28-21/h2-7,12,15,19H,8H2,1H3,(H2,26,28)(H,27,29)/t12-,15+,21-/m1/s1 ANTRSKCSPYUHFS-PYDTXJQDSA-N 171811 US9085576, 436::US9611261, Example 436 Beta-secretase 1 Homo sapiens >36000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118361795 312528463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315785 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)N1Cc2cc(Cl)cnc2C1=O InChI=1S/C19H14ClF3N4O2/c20-9-3-8-7-27(16(28)15(8)25-6-9)10-1-2-13(21)11(4-10)19(17(22)23)12-5-14(12)29-18(24)26-19/h1-4,6,12,14,17H,5,7H2,(H2,24,26)/t12-,14+,19+/m0/s1 NLZGRPLQIREEHL-BBEJJTJUSA-N 171812 US9085576, 437::US9611261, Example 437 Beta-secretase 1 Homo sapiens 2185 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413553 312528464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315786 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H17F2N5O3/c1-27-14-8-22-12(7-23-14)15(26)24-10-4-2-3-9(5-10)18(16(19)20)11-6-13(11)28-17(21)25-18/h2-5,7-8,11,13,16H,6H2,1H3,(H2,21,25)(H,24,26)/t11-,13+,18+/m0/s1 JUVXORVLWREKSW-WHWRDJHUSA-N 171813 US9085576, 438::US9611261, Example 438 Beta-secretase 1 Homo sapiens 500 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413125 312528465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315787 CNc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H17F3N6O2/c1-23-9-6-24-14(25-7-9)15(28)26-8-2-3-12(19)10(4-8)18(16(20)21)11-5-13(11)29-17(22)27-18/h2-4,6-7,11,13,16,23H,5H2,1H3,(H2,22,27)(H,26,28)/t11-,13+,18+/m0/s1 KYINYWUCERRCAV-WHWRDJHUSA-N 171814 US9085576, 439 Beta-secretase 1 Homo sapiens 473 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414947 312528466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315788 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-c1nnc([nH]1)-c1ccc(F)cc1 InChI=1S/C20H15F4N5O/c21-11-4-1-9(2-5-11)16-26-17(29-28-16)10-3-6-14(22)12(7-10)20(18(23)24)13-8-15(13)30-19(25)27-20/h1-7,13,15,18H,8H2,(H2,25,27)(H,26,28,29)/t13-,15+,20+/m0/s1 MOYMIMBIBLCWNB-XBHMSOGKSA-N 171820 US9085576, 440::US9611261, Example 440 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401190 312528471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315789 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CF)ccc1Cl InChI=1S/C19H16Cl2F2N4O2/c20-10-3-9(6-22)16(25-7-10)17(28)26-11-1-2-14(21)12(4-11)19(8-23)13-5-15(13)29-18(24)27-19/h1-4,7,13,15H,5-6,8H2,(H2,24,27)(H,26,28)/t13-,15+,19+/m0/s1 PCLUEHSBZFUGLA-ZBQZNYHESA-N 171685 US9085576, 441::US9611261, Example 441 Beta-secretase 1 Homo sapiens 25.2 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414355 312528345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315790 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-3-13(22)15(24-6-8)16(27)25-9-1-2-12(20)10(4-9)18(7-21)11-5-14(11)28-17(23)26-18/h1-4,6,11,14H,5,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 CPSNTABRDWAUIZ-UCMVZMLTSA-N 171686 US9085576, 442::US9611261, Example 442 Beta-secretase 1 Homo sapiens 54.4 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412691 312528346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315791 Cc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17Cl2FN4O2/c1-9-4-10(20)7-24-16(9)17(27)25-11-2-3-14(21)12(5-11)19(8-22)13-6-15(13)28-18(23)26-19/h2-5,7,13,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t13-,15+,19+/m0/s1 PSQSRQVCKJEMIX-ZBQZNYHESA-N 171687 US9085576, 443::US9611261, Example 443 Beta-secretase 1 Homo sapiens 37.3 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413184 312528347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315792 Cc1cc(NC(=O)c2ccc(Cl)cc2CF)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18ClF4N3O2/c1-9-4-12(28-18(30)13-3-2-11(22)5-10(13)8-23)6-15(17(9)24)21(19(25)26)14-7-16(14)31-20(27)29-21/h2-6,14,16,19H,7-8H2,1H3,(H2,27,29)(H,28,30)/t14-,16+,21-/m0/s1 RUDCCYVGGYJJHI-PXARDIRTSA-N 171688 US9085576, 444::US9611261, Example 444 Beta-secretase 1 Homo sapiens 10.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412339 312528348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315793 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(F)cn2)ccc1Cl InChI=1S/C18H15ClF2N4O2/c19-13-3-2-10(24-16(26)14-4-1-9(21)7-23-14)5-11(13)18(8-20)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 CDTBFGFUVJVAER-WBHUJUFNSA-N 171689 US9085576, 445::US9611261, Example 445 Beta-secretase 1 Homo sapiens 290.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412701 312528349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315794 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C21H15F3N6O/c22-15-2-1-12(29-18-17-11(3-4-27-18)5-10(8-25)9-28-17)6-13(15)21(19(23)24)14-7-16(14)31-20(26)30-21/h1-6,9,14,16,19H,7H2,(H2,26,30)(H,27,29)/t14-,16+,21+/m0/s1 DHPJABCHSOMZMW-CMPZQBNXSA-N 171736 US9085576, 446::US9611261, Example 446 Beta-secretase 1 Homo sapiens 55.85 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441971 312528393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315795 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)nccc2n1 InChI=1S/C20H17F3N6O2/c1-30-15-8-26-16-13(28-15)4-5-25-17(16)27-9-2-3-12(21)10(6-9)20(18(22)23)11-7-14(11)31-19(24)29-20/h2-6,8,11,14,18H,7H2,1H3,(H2,24,29)(H,25,27)/t11-,14+,20+/m0/s1 HVNGREMHJZGVTN-GZNWPSJOSA-N 171737 US9085576, 447::US9611261, Example 447 Beta-secretase 1 Homo sapiens 139 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441965 312528394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315796 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)ncc(F)c2c1 InChI=1S/C21H17F4N5O2/c1-31-10-5-11-15(23)8-28-18(17(11)27-7-10)29-9-2-3-14(22)12(4-9)21(19(24)25)13-6-16(13)32-20(26)30-21/h2-5,7-8,13,16,19H,6H2,1H3,(H2,26,30)(H,28,29)/t13-,16+,21+/m0/s1 PRSWCBBDZDLULG-CQURBHOASA-N 171738 US9085576, 448::US9611261, Example 448 Beta-secretase 1 Homo sapiens 117.35 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441962 312528395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315797 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H14F6N6O/c21-12-2-1-9(4-10(12)19(17(22)23)11-5-14(11)33-18(27)32-19)31-16-15-13(29-7-30-16)3-8(6-28-15)20(24,25)26/h1-4,6-7,11,14,17H,5H2,(H2,27,32)(H,29,30,31)/t11-,14+,19+/m0/s1 RBDLNBHGMFNDGE-GEDNVKPRSA-N 171739 US9085576, 449::US9611261, Example 449 Beta-secretase 1 Homo sapiens 124.5 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441972 312528396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315798 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-2-1-10(26-17(28)16-14(22)3-9(6-23)7-25-16)4-11(13)19(8-21)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 FLHYHXAYFBQBCG-IOHHAYIISA-N 171775 US9085576, 450::US9611261, Example 450 Beta-secretase 1 Homo sapiens 50.25 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413021 312528429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 315799 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1F InChI=1S/C19H13F6N3O2/c20-7-3-12(22)15(13(23)4-7)16(29)27-8-1-2-11(21)9(5-8)19(17(24)25)10-6-14(10)30-18(26)28-19/h1-5,10,14,17H,6H2,(H2,26,28)(H,27,29)/t10-,14+,19+/m0/s1 MNUABFIQHIGOTK-PJZBOPKMSA-N 171815 US9085576, 451::US9611261, Example 451 Beta-secretase 1 Homo sapiens 5385 4.2 US Patent 10.7270/Q2CF9NWF aid1801440 US9085576 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412491 312528467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 317736 CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C InChI=1S/C38H52N4O5/c1-7-14-33(43)35(37(46)40-23-25(2)3)39-24-34(44)32(21-28-15-10-8-11-16-28)41-36(45)30-19-26(4)20-31(22-30)38(47)42(6)27(5)29-17-12-9-13-18-29/h8-13,15-20,22,25,27,32-35,39,43-44H,7,14,21,23-24H2,1-6H3,(H,40,46)(H,41,45) SIJHZXLBPULCJF-UHFFFAOYSA-N 172740 US9096541, 113 Beta-secretase 1 Homo sapiens 563.5 US Patent 10.7270/Q2TH8KF4 aid1801462 US9096541 Tang, J; Huang, X; Downs, D; Ghosh, AK Oklahoma Medical Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=172740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118797801 312696751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 317737 CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O InChI=1S/C36H48N4O5/c1-23(2)21-38-35(44)33(26(5)41)37-22-32(42)31(19-27-13-9-7-10-14-27)39-34(43)29-17-24(3)18-30(20-29)36(45)40(6)25(4)28-15-11-8-12-16-28/h7-18,20,23,25-26,31-33,37,41-42H,19,21-22H2,1-6H3,(H,38,44)(H,39,43) ZKMCMCMWGYTFGC-UHFFFAOYSA-N 172742 US9096541, 213 Beta-secretase 1 Homo sapiens 1657 US Patent 10.7270/Q2TH8KF4 aid1801462 US9096541 Tang, J; Huang, X; Downs, D; Ghosh, AK Oklahoma Medical Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=172742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118797803 312696753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 317738 CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O InChI=1S/C35H46N4O5/c1-23(2)21-37-34(43)32(25(4)40)36-22-31(41)30(19-26-13-8-6-9-14-26)38-33(42)28-17-12-18-29(20-28)35(44)39(5)24(3)27-15-10-7-11-16-27/h6-18,20,23-25,30-32,36,40-41H,19,21-22H2,1-5H3,(H,37,43)(H,38,42) RLSADXVPOTXGOV-UHFFFAOYSA-N 172749 US9096541, 6212 Beta-secretase 1 Homo sapiens 5812 US Patent 10.7270/Q2TH8KF4 aid1801462 US9096541 Tang, J; Huang, X; Downs, D; Ghosh, AK Oklahoma Medical Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=172749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118797810 312696760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 317739 CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C InChI=1S/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44) PHXSVGGLTIKXSW-UHFFFAOYSA-N 172750 US9096541, 6412 Beta-secretase 1 Homo sapiens 5245 US Patent 10.7270/Q2TH8KF4 aid1801462 US9096541 Tang, J; Huang, X; Downs, D; Ghosh, AK Oklahoma Medical Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=172750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118797811 312696761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 317740 CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C InChI=1S/C33H48N4O6/c1-5-11-27(38)30(32(41)35-20-22(2)3)34-21-28(39)26(18-23-12-7-6-8-13-23)36-31(40)24-14-9-15-25(19-24)33(42)37-17-10-16-29(37)43-4/h6-9,12-15,19,22,26-30,34,38-39H,5,10-11,16-18,20-21H2,1-4H3,(H,35,41)(H,36,40) JICMITPNTOPAGH-UHFFFAOYSA-N 172751 US9096541, 6512 Beta-secretase 1 Homo sapiens 267 US Patent 10.7270/Q2TH8KF4 aid1801462 US9096541 Tang, J; Huang, X; Downs, D; Ghosh, AK Oklahoma Medical Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=172751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118797812 312696762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 317741 CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C InChI=1S/C34H50N4O6/c1-6-11-28(39)31(33(42)36-20-22(2)3)35-21-29(40)27(18-24-12-8-7-9-13-24)37-32(41)25-16-23(4)17-26(19-25)34(43)38-15-10-14-30(38)44-5/h7-9,12-13,16-17,19,22,27-31,35,39-40H,6,10-11,14-15,18,20-21H2,1-5H3,(H,36,42)(H,37,41) WFZPJFBWUKKUTA-UHFFFAOYSA-N 172752 US9096541, 6612 Beta-secretase 1 Homo sapiens 6.56 US Patent 10.7270/Q2TH8KF4 aid1801462 US9096541 Tang, J; Huang, X; Downs, D; Ghosh, AK Oklahoma Medical Research Foundation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=172752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118797813 312696763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330373 COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C18H21FN6O3S/c1-11-14(19)15(28-3)22-17(21-11)25-9-13-18(10-25,12-7-5-4-6-8-12)23-16(20)24(2)29(13,26)27/h4-8,13H,9-10H2,1-3H3,(H2,20,23)/t13-,18-/m1/s1 RAJFOQGJKWKNCJ-FZKQIMNGSA-N 182825 US9145426, 1 Beta-secretase 1 Homo sapiens 51 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71469249 313634348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330374 COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccc(F)cc1 InChI=1S/C18H20F2N6O3S/c1-10-14(20)15(29-3)23-17(22-10)26-8-13-18(9-26,11-4-6-12(19)7-5-11)24-16(21)25(2)30(13,27)28/h4-7,13H,8-9H2,1-3H3,(H2,21,24)/t13-,18-/m1/s1 DHRFNWXFLKOLNR-FZKQIMNGSA-N 182826 US9145426, 2 Beta-secretase 1 Homo sapiens 35 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467454 313634349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330375 COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)ccc1F InChI=1S/C18H19F3N6O3S/c1-9-14(21)15(30-3)24-17(23-9)27-7-13-18(8-27,11-6-10(19)4-5-12(11)20)25-16(22)26(2)31(13,28)29/h4-6,13H,7-8H2,1-3H3,(H2,22,25)/t13-,18-/m1/s1 PJENNDSOZAYZKS-FZKQIMNGSA-N 182827 US9145426, 3 Beta-secretase 1 Homo sapiens 20 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467455 313634350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330376 COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1F InChI=1S/C18H20F2N6O3S/c1-10-14(20)15(29-3)23-17(22-10)26-8-13-18(9-26,11-6-4-5-7-12(11)19)24-16(21)25(2)30(13,27)28/h4-7,13H,8-9H2,1-3H3,(H2,21,24)/t13-,18-/m1/s1 ROMLSHBTGHTQFO-FZKQIMNGSA-N 182828 US9145426, 4 Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467456 313634351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330377 COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)c(F)cc1F InChI=1S/C18H18F4N6O3S/c1-8-14(22)15(31-3)25-17(24-8)28-6-13-18(7-28,26-16(23)27(2)32(13,29)30)9-4-11(20)12(21)5-10(9)19/h4-5,13H,6-7H2,1-3H3,(H2,23,26)/t13-,18-/m1/s1 MBLRMPGNVDAPAO-FZKQIMNGSA-N 182829 US9145426, 5 Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89935637 313634352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330378 COc1nc(nc(C)c1F)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccc(F)cc1F InChI=1S/C18H19F3N6O3S/c1-9-14(21)15(30-3)24-17(23-9)27-7-13-18(8-27,11-5-4-10(19)6-12(11)20)25-16(22)26(2)31(13,28)29/h4-6,13H,7-8H2,1-3H3,(H2,22,25)/t13?,18-/m1/s1 XWNJDDMJAWDTOP-PQJIZZRHSA-N 182830 US9145426, 6 Beta-secretase 1 Homo sapiens 30 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89935602 313634353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330379 COCc1cc(OC)nc(c1)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)c(F)cc1F InChI=1S/C20H22F3N5O4S/c1-27-19(24)26-20(12-6-14(22)15(23)7-13(12)21)10-28(8-16(20)33(27,29)30)17-4-11(9-31-2)5-18(25-17)32-3/h4-7,16H,8-10H2,1-3H3,(H2,24,26)/t16?,20-/m1/s1 IPERHZYEDFZZOI-OTOKDRCRSA-N 182831 US9145426, 7 Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89037076 313634354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330380 COCc1cc(OC)nc(c1)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1F InChI=1S/C20H24FN5O4S/c1-25-19(22)24-20(14-6-4-5-7-15(14)21)12-26(10-16(20)31(25,27)28)17-8-13(11-29-2)9-18(23-17)30-3/h4-9,16H,10-12H2,1-3H3,(H2,22,24)/t16?,20-/m1/s1 XVLHCJBZYYLELI-OTOKDRCRSA-N 182832 US9145426, 8 Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60150638 313634355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330381 COCc1cc(OC)nc(c1)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)ccc1F InChI=1S/C20H23F2N5O4S/c1-26-19(23)25-20(14-8-13(21)4-5-15(14)22)11-27(9-16(20)32(26,28)29)17-6-12(10-30-2)7-18(24-17)31-3/h4-8,16H,9-11H2,1-3H3,(H2,23,25)/t16-,20-/m1/s1 XJXSUJBHBZPHLU-OXQOHEQNSA-N 182833 US9145426, 9 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89037084 313634356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330382 COc1nc(nc(C)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C18H21FN6O3S/c1-11-14(19)15(28-3)22-17(21-11)25-9-13-18(10-25,12-7-5-4-6-8-12)23-16(20)24(2)29(13,26)27/h4-8,13H,9-10H2,1-3H3,(H2,20,23) RAJFOQGJKWKNCJ-UHFFFAOYSA-N 182834 US9145426, 10 Beta-secretase 1 Homo sapiens 93 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467729 313634357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330383 CCOCc1cc(OC)nc(c1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C21H27N5O4S/c1-4-30-13-15-10-18(23-19(11-15)29-3)26-12-17-21(14-26,16-8-6-5-7-9-16)24-20(22)25(2)31(17,27)28/h5-11,17H,4,12-14H2,1-3H3,(H2,22,24) OCCCKEDUBNBLLE-UHFFFAOYSA-N 182835 US9145426, 11 Beta-secretase 1 Homo sapiens 61 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89037087 313634358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330384 COCc1cc(OC)nc(c1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C20H25N5O4S/c1-24-19(21)23-20(15-7-5-4-6-8-15)13-25(11-16(20)30(24,26)27)17-9-14(12-28-2)10-18(22-17)29-3/h4-10,16H,11-13H2,1-3H3,(H2,21,23) LELOSQBFNBDVQT-UHFFFAOYSA-N 182836 US9145426, 12 Beta-secretase 1 Homo sapiens 27 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89037092 313634359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330385 COc1nc(nc(OC)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C18H21FN6O4S/c1-24-16(20)23-18(11-7-5-4-6-8-11)10-25(9-12(18)30(24,26)27)17-21-14(28-2)13(19)15(22-17)29-3/h4-8,12H,9-10H2,1-3H3,(H2,20,23) XAGYKMOLACATKV-UHFFFAOYSA-N 182837 US9145426, 13 Beta-secretase 1 Homo sapiens 30 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467599 313634360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330386 COc1cccc(n1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C18H21N5O3S/c1-22-17(19)21-18(13-7-4-3-5-8-13)12-23(11-14(18)27(22,24)25)15-9-6-10-16(20-15)26-2/h3-10,14H,11-12H2,1-2H3,(H2,19,21) ROOHNRUKVDMYSK-UHFFFAOYSA-N 182838 US9145426, 14 Beta-secretase 1 Homo sapiens 86 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467600 313634361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330387 CCc1nc(nc(OC)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C19H23FN6O3S/c1-4-13-15(20)16(29-3)23-18(22-13)26-10-14-19(11-26,12-8-6-5-7-9-12)24-17(21)25(2)30(14,27)28/h5-9,14H,4,10-11H2,1-3H3,(H2,21,24) IDERUORRFCXPDI-UHFFFAOYSA-N 182839 US9145426, 15 Beta-secretase 1 Homo sapiens 82 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89037072 313634362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330388 COc1nc(nc(C2CC2)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 InChI=1S/C20H23FN6O3S/c1-26-18(22)25-20(13-6-4-3-5-7-13)11-27(10-14(20)31(26,28)29)19-23-16(12-8-9-12)15(21)17(24-19)30-2/h3-7,12,14H,8-11H2,1-2H3,(H2,22,25) HABBKDGVRZWCQT-UHFFFAOYSA-N 182840 US9145426, 16 Beta-secretase 1 Homo sapiens 42 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89037278 313634363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330389 CN1C(=N)NC2(CN(CC2S1(=O)=O)c1cccc(C)c1)c1ccccc1 InChI=1S/C19H22N4O2S/c1-14-7-6-10-16(11-14)23-12-17-19(13-23,15-8-4-3-5-9-15)21-18(20)22(2)26(17,24)25/h3-11,17H,12-13H2,1-2H3,(H2,20,21) VRUMKLDKWLDFBY-UHFFFAOYSA-N 182841 US9145426, 17 Beta-secretase 1 Homo sapiens 1563 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467727 313634364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330390 CN1C(=N)N[C@]2(CN(CC2S1(=O)=O)C(C)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N6O4S/c1-11(29)28-9-17-20(10-28,26-19(23)27(2)33(17,31)32)14-7-13(4-5-15(14)22)25-18(30)16-6-3-12(21)8-24-16/h3-8,17H,9-10H2,1-2H3,(H2,23,26)(H,25,30)/t17?,20-/m1/s1 JDCNHYZNJNRUDX-UUSAFJCLSA-N 182842 US9145426, 18 Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467726 313634365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 330391 COc1nc(nc(C)c1F)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H23F3N8O4S/c1-12-19(27)21(39-3)32-23(30-12)35-10-18-24(11-35,33-22(28)34(2)40(18,37)38)15-8-14(5-6-16(15)26)31-20(36)17-7-4-13(25)9-29-17/h4-9,18H,10-11H2,1-3H3,(H2,28,33)(H,31,36)/t18?,24-/m1/s1 HLUAIMQRMMIEHR-VCUSLETLSA-N 182843 US9145426, 19 Beta-secretase 1 Homo sapiens 1.2 5 30.00 C US Patent 10.7270/Q2WH2NSS aid1801689 US9145426 Stamford, AW; Gilbert, EJ; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=182843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467728 313634366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335519 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-5-10(6-22)7-24-13(9)15(28)26-12-4-3-11(19)14(25-12)17(2)18(20,21)8-29-16(23)27-17/h3-5,7H,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1 ISXCJKRNXUQSFB-QGZVFWFLSA-N 186047 US9163011, 1 Beta-secretase 1 Homo sapiens 12 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273895 315658582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335520 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1 XZRLHXIFWZKMCO-MRXNPFEDSA-N 186048 US9163011, 2 Beta-secretase 1 Homo sapiens 12 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274019 315658583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335521 CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1 VZKPBWICQCZMIB-GOSISDBHSA-N 186049 US9163011, 3 Beta-secretase 1 Homo sapiens 29 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274016 315658584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335522 COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1 PSPGXNMAHYIESQ-LJQANCHMSA-N 186050 US9163011, 4 Beta-secretase 1 Homo sapiens 100 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273947 315658585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335523 COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m0/s1 PSPGXNMAHYIESQ-IBGZPJMESA-N 186051 US9163011, 5 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273877 315658586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335524 COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1 WPEMUUFTBABGBW-QGZVFWFLSA-N 186052 US9163011, 6 Beta-secretase 1 Homo sapiens 650 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529211 315658587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335525 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1 LOLRSSGXRIPFCB-OAHLLOKOSA-N 186053 US9163011, 7 Beta-secretase 1 Homo sapiens 35 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529262 315658588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335526 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F InChI=1S/C16H13F6N7O2/c1-14(15(18,19)5-31-13(24)29-14)10-6(17)2-3-8(27-10)28-12(30)9-11(23)26-7(4-25-9)16(20,21)22/h2-4H,5H2,1H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t14-/m1/s1 WVFHQWCQXOAIHG-CQSZACIVSA-N 186054 US9163011, 8 Beta-secretase 1 Homo sapiens 160 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529263 315658589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335527 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1 CGFNKFZCIRBOAD-OAHLLOKOSA-N 186055 US9163011, 9 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273898 315658590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335528 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F InChI=1S/C17H15F6N7O3/c1-15(16(19,20)5-33-14(25)30-15)11-7(18)2-3-8(27-11)28-13(31)10-12(24)29-9(4-26-10)32-6-17(21,22)23/h2-4H,5-6H2,1H3,(H2,24,29)(H2,25,30)(H,27,28,31)/t15-/m1/s1 LTIOGWHOZDPVCK-OAHLLOKOSA-N 186056 US9163011, 10 Beta-secretase 1 Homo sapiens 590 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529264 315658591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335529 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1 FKUWIXCLOXGDMB-MRXNPFEDSA-N 186057 US9163011, 11 Beta-secretase 1 Homo sapiens 830 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529265 315658592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335530 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F InChI=1S/C18H19F4N7O3/c1-17(18(21,22)8-32-16(24)29-17)13-9(20)3-4-10(26-13)27-15(30)12-14(23)28-11(7-25-12)31-6-2-5-19/h3-4,7H,2,5-6,8H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t17-/m1/s1 PCWNWAKTIVCZNM-QGZVFWFLSA-N 186058 US9163011, 12 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529266 315658593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335531 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 InChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1 QOCIHSUXWNYFHI-QGZVFWFLSA-N 186059 US9163011, 13 Beta-secretase 1 Homo sapiens 270 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273903 315658594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335532 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F InChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/s1 FMYPBFZNJZIDKT-OAHLLOKOSA-N 186061 US9163011, 15 Beta-secretase 1 Homo sapiens 110 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273969 315658596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335533 COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 InChI=1S/C18H20F3N7O4/c1-17(18(20,21)8-32-16(23)28-17)13-9(19)3-4-10(25-13)26-15(29)12-14(22)27-11(7-24-12)31-6-5-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t17-/m1/s1 YYABTMDXDSJCFD-QGZVFWFLSA-N 186062 US9163011, 16 Beta-secretase 1 Homo sapiens 120 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529316 315658597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335534 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F InChI=1S/C19H17F3N6O3/c1-18(19(21,22)9-31-17(24)28-18)15-11(20)4-5-13(26-15)27-16(30)14-12(23)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9,23H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1 LPHMJKHHQPFBCQ-GOSISDBHSA-N 186063 US9163011, 17 Beta-secretase 1 Homo sapiens 240 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529317 315658598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335535 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1 XNUKXZBBFWKBDZ-OAHLLOKOSA-N 186064 US9163011, 18 Beta-secretase 1 Homo sapiens 330 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274053 315658599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335536 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F InChI=1S/C16H14ClF3N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1 XSIPOULVCGGORY-OAHLLOKOSA-N 186065 US9163011, 19 Beta-secretase 1 Homo sapiens 60 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274056 315658600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335537 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1 MQFTZDVMSMFRAU-OAHLLOKOSA-N 186066 US9163011, 20 Beta-secretase 1 Homo sapiens 360 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71271537 315658601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335538 COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 InChI=1S/C20H17ClF3N5O3/c1-19(20(23,24)10-32-18(25)29-19)16-13(22)5-6-14(27-16)28-17(30)15-12(21)8-11(9-26-15)4-3-7-31-2/h5-6,8-9H,7,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1 BMPSPTZUQDKEEP-LJQANCHMSA-N 186067 US9163011, 21 Beta-secretase 1 Homo sapiens 83 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529373 315658602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335539 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F InChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t15-/m1/s1 VJQYWRACFCYUPR-OAHLLOKOSA-N 186068 US9163011, 22 Beta-secretase 1 Homo sapiens 190 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273961 315658603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335540 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F InChI=1S/C17H17ClF3N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1 UWVJOGWOKXGBMT-MRXNPFEDSA-N 186069 US9163011, 23 Beta-secretase 1 Homo sapiens 8700 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186069&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529374 315658604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335541 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F InChI=1S/C18H15ClF5N5O3/c1-17(18(23,24)7-32-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(5-26-13)31-6-11(21)22/h2-5,11H,6-7H2,1H3,(H2,25,29)(H,27,28,30)/t17-/m1/s1 SYFKAGCUUZFBGJ-QGZVFWFLSA-N 186070 US9163011, 24 Beta-secretase 1 Homo sapiens 240 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529375 315658605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335542 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F InChI=1S/C17H17F4N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1 HTVUCPUQMUSURS-MRXNPFEDSA-N 186071 US9163011, 25 Beta-secretase 1 Homo sapiens 570 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186071&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529423 315658606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335543 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F InChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1 UXWJPYCELGAIGP-MRXNPFEDSA-N 186072 US9163011, 26 Beta-secretase 1 Homo sapiens 110 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273880 315658607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335544 CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 InChI=1S/C18H17ClF3N5O3/c1-3-29-9-6-10(19)13(24-7-9)15(28)26-12-5-4-11(20)14(25-12)17(2)18(21,22)8-30-16(23)27-17/h4-7H,3,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1 NCAGWNFSRXNJDL-QGZVFWFLSA-N 186073 US9163011, 27 Beta-secretase 1 Homo sapiens 290 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186073&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273878 315658608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335545 COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 InChI=1S/C18H20F3N7O3/c1-17(18(20,21)8-31-16(23)28-17)13-10(19)3-4-11(26-13)27-15(29)12-14(22)25-9(7-24-12)5-6-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t17-/m1/s1 RZPYITONBLAMAN-QGZVFWFLSA-N 186074 US9163011, 29 Beta-secretase 1 Homo sapiens 150 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186074&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529425 315658609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335546 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1 PUANGZKWYIUWGX-CQSZACIVSA-N 186075 US9163011, 30 Beta-secretase 1 Homo sapiens 19 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186075&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529426 315658610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335547 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F InChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1 YJPIAQRBQQFOPC-CQSZACIVSA-N 186076 US9163011, 31 Beta-secretase 1 Homo sapiens 540 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186076&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274021 315658611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335548 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F InChI=1S/C19H15ClF3N5O3/c1-18(19(22,23)9-31-17(24)28-18)15-12(21)4-5-13(26-15)27-16(30)14-11(20)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1 GNNDIRZJLBDRCO-GOSISDBHSA-N 186077 US9163011, 32 Beta-secretase 1 Homo sapiens 60 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186077&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274015 315658612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335549 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F InChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1 WFIZWFCJKHASMD-MRXNPFEDSA-N 186078 US9163011, 33 Beta-secretase 1 Homo sapiens 140 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186078&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274020 315658613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335550 CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C17H15ClF5N7O2/c1-15(17(22,23)5-32-14(25)30-15)9-6(19)3-4-7(26-9)27-13(31)8-12(24)29-10(11(18)28-8)16(2,20)21/h3-4H,5H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,27,31)/t15-/m1/s1 INTWBADHVOGJEU-OAHLLOKOSA-N 186079 US9163011, 34 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186079&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529464 315658614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335551 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1 ZWUWGLTVWPXQQS-MRXNPFEDSA-N 186080 US9163011, 35 Beta-secretase 1 Homo sapiens 54 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186080&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529465 315658615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 335552 CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 InChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1 GEYFZFDMDJIWCM-OAHLLOKOSA-N 186082 US9163011, 37 Beta-secretase 1 Homo sapiens 64 4.5 25.00 C US Patent 10.7270/Q2Z60MV1 aid1801752 US9163011 Lueoend, RM; Machauer, R; Rueeger, H; Veenstra, SJ Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273879 315658617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341192 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 PFXZPNOPENCWPS-SFHVURJKSA-N 190697 US9181236, 1 Beta-secretase 1 Homo sapiens 1.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531923 316935986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341193 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 InChI=1S/C19H20FN5O4S/c1-18(10-30(27,28)19(5-6-19)17(21)25-18)12-7-11(3-4-13(12)20)24-16(26)14-8-23-15(29-2)9-22-14/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1 PHDUENDORNBRHI-SFHVURJKSA-N 190698 US9181236, 2 Beta-secretase 1 Homo sapiens 4.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531968 316935987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341194 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 NBFRITZBPLSEGT-SFHVURJKSA-N 190699 US9181236, 3 Beta-secretase 1 Homo sapiens 5.5 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531969 316935988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341195 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C19H17F3N4O3S/c1-18(9-30(28,29)19(4-5-19)17(23)26-18)12-7-11(2-3-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h2-3,6-8H,4-5,9H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1 VYCNPKFZLDVGGK-SFHVURJKSA-N 190700 US9181236, 4 Beta-secretase 1 Homo sapiens 5 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531970 316935989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341196 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 InChI=1S/C20H21FN4O4S/c1-19(11-30(27,28)20(7-8-20)18(22)25-19)14-9-12(3-5-15(14)21)24-17(26)16-6-4-13(29-2)10-23-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 XAGKPFWKUPZWQJ-IBGZPJMESA-N 190701 US9181236, 5 Beta-secretase 1 Homo sapiens 3.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531971 316935990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341197 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O3S/c1-19(11-30(28,29)20(7-2-8-20)18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 PLKVYHMTQHLCFY-IBGZPJMESA-N 190702 US9181236, 6 Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419854 316935991 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341198 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 InChI=1S/C20H22FN5O4S/c1-19(11-31(28,29)20(6-3-7-20)18(22)26-19)13-8-12(4-5-14(13)21)25-17(27)15-9-24-16(30-2)10-23-15/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1 SUQOBLVVRQPVTI-IBGZPJMESA-N 190703 US9181236, 7 Beta-secretase 1 Homo sapiens 11.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531972 316935992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341199 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O3S/c1-19(11-30(28,29)20(7-2-8-20)18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 XWJUDLOWAPGUSX-IBGZPJMESA-N 190704 US9181236, 8 Beta-secretase 1 Homo sapiens 17.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419855 316935993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341200 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C20H19F3N4O3S/c1-19(10-31(29,30)20(5-2-6-20)18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 JCFPKSICQRVYPG-IBGZPJMESA-N 190705 US9181236, 9 Beta-secretase 1 Homo sapiens 12.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531973 316935994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341201 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 InChI=1S/C21H23FN4O4S/c1-20(12-31(28,29)21(8-3-9-21)19(23)26-20)15-10-13(4-6-16(15)22)25-18(27)17-7-5-14(30-2)11-24-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1 OZYSRAOIIBLDKF-FQEVSTJZSA-N 190706 US9181236, 10 Beta-secretase 1 Homo sapiens 10.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419852 316935995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341202 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C21H20FN5O3S/c1-20(12-31(29,30)21(8-3-9-21)19(23)27-20)15-10-13(4-6-16(15)22)26-18(28)17-7-5-14(24-2)11-25-17/h4-7,10-11H,3,8-9,12H2,1H3,(H2,23,27)(H,26,28)/t20-/m0/s1 YVSTWCVYZLMQQU-FQEVSTJZSA-N 190707 US9181236, 11 Beta-secretase 1 Homo sapiens 5.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494137 316935996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341203 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 VFUXKCUHUHFKCF-FQEVSTJZSA-N 190708 US9181236, 12 Beta-secretase 1 Homo sapiens 1.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71511825 316935997 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341204 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 DMEAWTNLOAGORR-FQEVSTJZSA-N 190709 US9181236, 13 Beta-secretase 1 Homo sapiens 3.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419856 316935998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341205 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C22H22F4N4O3S/c1-20(12-34(32,33)21(19(27)30-20)8-2-3-9-21)15-10-14(5-6-16(15)23)29-18(31)17-7-4-13(11-28-17)22(24,25)26/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 SJWYDDZFJMFIGS-FQEVSTJZSA-N 190710 US9181236, 14 Beta-secretase 1 Homo sapiens 2.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419853 316935999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341206 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 InChI=1S/C22H25FN4O4S/c1-21(13-32(29,30)22(20(24)27-21)9-3-4-10-22)16-11-14(5-7-17(16)23)26-19(28)18-8-6-15(31-2)12-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/m0/s1 YNASOOLPYPKVDC-NRFANRHFSA-N 190711 US9181236, 15 Beta-secretase 1 Homo sapiens 5.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419851 316936000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341207 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H21F4N5O3S/c1-19(11-34(32,33)20(18(26)30-19)6-2-3-7-20)13-8-12(4-5-14(13)22)29-17(31)15-9-28-16(10-27-15)21(23,24)25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,26,30)(H,29,31)/t19-/m0/s1 CWADWULNGVXIKU-IBGZPJMESA-N 190712 US9181236, 16 Beta-secretase 1 Homo sapiens 13 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532015 316936001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341208 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 InChI=1S/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-3-4-8-21)14-9-13(5-6-15(14)22)26-18(28)16-10-25-17(31-2)11-24-16/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,23,27)(H,26,28)/t20-/m0/s1 GXWQCTDIXFWINS-FQEVSTJZSA-N 190713 US9181236, 17 Beta-secretase 1 Homo sapiens 3.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419857 316936002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341209 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C21H21Cl2FN4O3S/c1-20(11-32(30,31)21(19(25)28-20)6-2-3-7-21)14-9-13(4-5-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1 MFOWGDZPKDZMAE-FQEVSTJZSA-N 190714 US9181236, 18 Beta-secretase 1 Homo sapiens 2.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532016 316936003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341210 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cn3ncsc3n2)ccc1F InChI=1S/C20H21FN6O3S2/c1-19(10-32(29,30)20(17(22)26-19)6-2-3-7-20)13-8-12(4-5-14(13)21)24-16(28)15-9-27-18(25-15)31-11-23-27/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,22,26)(H,24,28)/t19-/m0/s1 WUVCDLWMUXYNAJ-IBGZPJMESA-N 190715 US9181236, 19 Beta-secretase 1 Homo sapiens 18.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532017 316936004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341211 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F InChI=1S/C21H22FN5O3S2/c1-20(12-32(29,30)21(18(23)26-20)6-2-3-7-21)14-10-13(4-5-15(14)22)24-17(28)16-11-27-8-9-31-19(27)25-16/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,23,26)(H,24,28)/t20-/m0/s1 IORNJWFILWBCCO-FQEVSTJZSA-N 190716 US9181236, 20 Beta-secretase 1 Homo sapiens 82 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419820 316936005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341212 Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 InChI=1S/C19H22FN5O4S/c1-11-22-15(25-29-11)16(26)23-12-5-6-14(20)13(9-12)18(2)10-30(27,28)19(17(21)24-18)7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1 UHUUJEBNZPATNF-SFHVURJKSA-N 190717 US9181236, 21 Beta-secretase 1 Homo sapiens 13.9 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532018 316936006 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341213 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C20H22F3N5O3S/c1-19(11-32(30,31)20(17(24)26-19)7-2-3-8-20)13-10-12(4-5-14(13)21)25-16(29)15-6-9-28(27-15)18(22)23/h4-6,9-10,18H,2-3,7-8,11H2,1H3,(H2,24,26)(H,25,29)/t19-/m0/s1 LANVFBZXABIOHF-IBGZPJMESA-N 190718 US9181236, 22 Beta-secretase 1 Homo sapiens 12.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532019 316936007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341214 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnsn2)ccc1F InChI=1S/C18H20FN5O3S2/c1-17(10-29(26,27)18(16(20)23-17)6-2-3-7-18)12-8-11(4-5-13(12)19)22-15(25)14-9-21-28-24-14/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,20,23)(H,22,25)/t17-/m0/s1 DITHWFRPAUJPAT-KRWDZBQOSA-N 190719 US9181236, 23 Beta-secretase 1 Homo sapiens 108 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532068 316936008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341215 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H24ClFN4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1 QTKARDGAUMDUCL-NRFANRHFSA-N 190720 US9181236, 24 Beta-secretase 1 Homo sapiens 8.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532069 316936009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341216 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1 UZZLXHRXTJQCMS-NRFANRHFSA-N 190721 US9181236, 25 Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419928 316936010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341217 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 InChI=1S/C23H27FN4O4S/c1-22(14-33(30,31)23(21(25)28-22)10-4-3-5-11-23)17-12-15(6-8-18(17)24)27-20(29)19-9-7-16(32-2)13-26-19/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H2,25,28)(H,27,29)/t22-/m0/s1 YNOFIMGNERACEK-QFIPXVFZSA-N 190722 US9181236, 26 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532070 316936011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341218 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 InChI=1S/C22H26FN5O4S/c1-21(13-33(30,31)22(20(24)28-21)8-4-3-5-9-22)15-10-14(6-7-16(15)23)27-19(29)17-11-26-18(32-2)12-25-17/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1 PWJBQDDBAHIPRM-NRFANRHFSA-N 190723 US9181236, 27 Beta-secretase 1 Homo sapiens 36 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532071 316936012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341219 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H24FN5O3S/c1-22(14-33(31,32)23(21(26)29-22)9-3-2-4-10-23)17-11-16(6-7-18(17)24)28-20(30)19-8-5-15(12-25)13-27-19/h5-8,11,13H,2-4,9-10,14H2,1H3,(H2,26,29)(H,28,30)/t22-/m0/s1 WADSREMULXRZPV-QFIPXVFZSA-N 190724 US9181236, 28 Beta-secretase 1 Homo sapiens 10.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532072 316936013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341220 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C23H24F4N4O3S/c1-21(13-35(33,34)22(20(28)31-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)30-19(32)18-8-5-14(12-29-18)23(25,26)27/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,28,31)(H,30,32)/t21-/m0/s1 ZGUSKHFEXNKTRN-NRFANRHFSA-N 190725 US9181236, 29 Beta-secretase 1 Homo sapiens 23.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419881 316936014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341221 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 KDPDVNZNYZRPNE-FQEVSTJZSA-N 190726 US9181236, 30 Beta-secretase 1 Homo sapiens 10.9 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419836 316936015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341222 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C21H21Cl2FN4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1 LVQIQZMFZUTHBS-FQEVSTJZSA-N 190727 US9181236, 31 Beta-secretase 1 Homo sapiens 4.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532073 316936016 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341223 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 InChI=1S/C21H24FN5O5S/c1-20(12-33(29,30)21(19(23)27-20)5-7-32-8-6-21)14-9-13(3-4-15(14)22)26-18(28)16-10-25-17(31-2)11-24-16/h3-4,9-11H,5-8,12H2,1-2H3,(H2,23,27)(H,26,28)/t20-/m0/s1 WMPSIIQUOGDWNZ-FQEVSTJZSA-N 190728 US9181236, 32 Beta-secretase 1 Homo sapiens 16.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419883 316936017 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341224 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 OVIVINBQPWFCIG-FQEVSTJZSA-N 190729 US9181236, 33 Beta-secretase 1 Homo sapiens 6.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419908 316936018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341225 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C22H22F4N4O4S/c1-20(12-35(32,33)21(19(27)30-20)6-8-34-9-7-21)15-10-14(3-4-16(15)23)29-18(31)17-5-2-13(11-28-17)22(24,25)26/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 UIRYVRRDGALEDP-FQEVSTJZSA-N 190730 US9181236, 34 Beta-secretase 1 Homo sapiens 19.8 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532114 316936019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341226 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 InChI=1S/C22H25FN4O5S/c1-21(13-33(29,30)22(20(24)27-21)7-9-32-10-8-22)16-11-14(3-5-17(16)23)26-19(28)18-6-4-15(31-2)12-25-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/m0/s1 YSBNTVJQNMAZMP-NRFANRHFSA-N 190731 US9181236, 35 Beta-secretase 1 Homo sapiens 16.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419885 316936020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341227 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C21H21ClF2N4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-15(14)23)27-18(29)17-16(24)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1 RDYMLTPWDRZZSE-FQEVSTJZSA-N 190732 US9181236, 35a Beta-secretase 1 Homo sapiens 6.5 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532115 316936021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341228 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(ccc1F)-c1cccc(c1)C#N InChI=1S/C22H22FN3O2S/c1-21(14-29(27,28)22(20(25)26-21)9-2-3-10-22)18-12-17(7-8-19(18)23)16-6-4-5-15(11-16)13-24/h4-8,11-12H,2-3,9-10,14H2,1H3,(H2,25,26)/t21-/m0/s1 SRFOUNRPSJUNFZ-NRFANRHFSA-N 190734 US9181236, 36 Beta-secretase 1 Homo sapiens 1292 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532117 316936022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341229 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(ccc1F)-c1cncc(Cl)c1 InChI=1S/C20H21ClFN3O2S/c1-19(12-28(26,27)20(18(23)25-19)6-2-3-7-20)16-9-13(4-5-17(16)22)14-8-15(21)11-24-10-14/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,23,25)/t19-/m0/s1 QVJNHZKJIMWKJP-IBGZPJMESA-N 190735 US9181236, 37 Beta-secretase 1 Homo sapiens 459 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532118 316936023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341230 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(ccc1F)-c1cncc(c1)C#N InChI=1S/C21H21FN4O2S/c1-20(13-29(27,28)21(19(24)26-20)6-2-3-7-21)17-9-15(4-5-18(17)22)16-8-14(10-23)11-25-12-16/h4-5,8-9,11-12H,2-3,6-7,13H2,1H3,(H2,24,26)/t20-/m0/s1 ZMEFTVWOMQBUQF-FQEVSTJZSA-N 190736 US9181236, 38 Beta-secretase 1 Homo sapiens 939 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532119 316936024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341231 COc1cccc2cc(-c3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CCCC4)C(=N)N3)n(C(=O)OC(C)(C)C)c12 InChI=1S/C29H34FN3O5S/c1-27(2,3)38-26(34)33-22(16-19-9-8-10-23(37-5)24(19)33)18-11-12-21(30)20(15-18)28(4)17-39(35,36)29(25(31)32-28)13-6-7-14-29/h8-12,15-16H,6-7,13-14,17H2,1-5H3,(H2,31,32)/t28-/m0/s1 XDUCEUMKOUUCCK-NDEPHWFRSA-N 190737 US9181236, 39 Beta-secretase 1 Homo sapiens 1326 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532166 316936025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341232 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(ccc1F)-n1cc(nn1)-c1ccccc1 InChI=1S/C22H22FN5O2S/c1-21(14-31(29,30)22(10-5-11-22)20(24)25-21)17-12-16(8-9-18(17)23)28-13-19(26-27-28)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H2,24,25)/t21-/m0/s1 WUPNGFYHCVTMNT-NRFANRHFSA-N 190738 US9181236, 39a Beta-secretase 1 Homo sapiens 2323 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532167 316936026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341233 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(ccc1F)-n1cc(nn1)-c1cccnc1 InChI=1S/C21H21FN6O2S/c1-20(13-31(29,30)21(7-3-8-21)19(23)25-20)16-10-15(5-6-17(16)22)28-12-18(26-27-28)14-4-2-9-24-11-14/h2,4-6,9-12H,3,7-8,13H2,1H3,(H2,23,25)/t20-/m0/s1 HUEBJZZJAJPKSC-FQEVSTJZSA-N 190739 US9181236, 39b Beta-secretase 1 Homo sapiens 8557 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532168 316936027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341234 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C19H19ClN4O2S2/c1-18(11-28(25,26)19(17(22)24-18)4-2-3-5-19)16-14(20)7-15(27-16)13-6-12(8-21)9-23-10-13/h6-7,9-10H,2-5,11H2,1H3,(H2,22,24)/t18-/m0/s1 ZWWURSGYFFYEPL-SFHVURJKSA-N 190742 US9181236, 42 Beta-secretase 1 Homo sapiens 18.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532170 316936028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341235 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 InChI=1S/C17H19ClN4O2S2/c1-16(9-26(23,24)17(15(19)22-16)4-2-3-5-17)14-12(18)6-13(25-14)11-7-20-10-21-8-11/h6-8,10H,2-5,9H2,1H3,(H2,19,22)/t16-/m0/s1 OKGIIMYABZFCGE-INIZCTEOSA-N 190743 US9181236, 43 Beta-secretase 1 Homo sapiens 73.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532171 316936029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341236 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C21H21ClN4O3S2/c1-20(11-31(27,28)21(19(23)25-20)7-2-3-8-21)17-15(22)10-16(30-17)13-5-4-6-14(9-13)18-26-24-12-29-18/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H2,23,25)/t20-/m0/s1 OCFBINATZALSHA-FQEVSTJZSA-N 190744 US9181236, 43a Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532222 316936030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341237 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 190745 US9181236, 44 Beta-secretase 1 Homo sapiens 20.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532223 316936031 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341238 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C21H22ClN3O2S2/c1-20(13-29(26,27)21(19(24)25-20)8-3-2-4-9-21)18-16(22)11-17(28-18)15-7-5-6-14(10-15)12-23/h5-7,10-11H,2-4,8-9,13H2,1H3,(H2,24,25)/t20-/m0/s1 LKRYRZKODNHHGO-FQEVSTJZSA-N 190746 US9181236, 45 Beta-secretase 1 Homo sapiens 48 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419832 316936032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341239 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C20H21ClN4O2S2/c1-19(12-29(26,27)20(18(23)25-19)5-3-2-4-6-20)17-15(21)8-16(28-17)14-7-13(9-22)10-24-11-14/h7-8,10-11H,2-6,12H2,1H3,(H2,23,25)/t19-/m0/s1 LFYVWDBBKHUQRB-IBGZPJMESA-N 190747 US9181236, 46 Beta-secretase 1 Homo sapiens 114 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419831 316936033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341240 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 InChI=1S/C18H21ClN4O2S2/c1-17(15-13(19)7-14(26-15)12-8-21-11-22-9-12)10-27(24,25)18(16(20)23-17)5-3-2-4-6-18/h7-9,11H,2-6,10H2,1H3,(H2,20,23)/t17-/m0/s1 OWTRPCMYHPCVPV-KRWDZBQOSA-N 190748 US9181236, 47 Beta-secretase 1 Homo sapiens 545 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532224 316936034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341241 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C22H23ClN4O3S2/c1-21(12-32(28,29)22(20(24)26-21)8-3-2-4-9-22)18-16(23)11-17(31-18)14-6-5-7-15(10-14)19-27-25-13-30-19/h5-7,10-11,13H,2-4,8-9,12H2,1H3,(H2,24,26)/t21-/m0/s1 FMPWXIMFOHUBCH-NRFANRHFSA-N 190749 US9181236, 47a Beta-secretase 1 Homo sapiens 35.9 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532225 316936035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341242 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 190750 US9181236, 48 Beta-secretase 1 Homo sapiens 19.8 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532226 316936036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341243 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C20H20ClN3O3S2/c1-19(12-29(25,26)20(18(23)24-19)5-7-27-8-6-20)17-15(21)10-16(28-17)14-4-2-3-13(9-14)11-22/h2-4,9-10H,5-8,12H2,1H3,(H2,23,24)/t19-/m0/s1 OWXWGPFRXDZKJL-IBGZPJMESA-N 190751 US9181236, 49 Beta-secretase 1 Homo sapiens 113 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419863 316936037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341244 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C19H19ClN4O3S2/c1-18(11-29(25,26)19(17(22)24-18)2-4-27-5-3-19)16-14(20)7-15(28-16)13-6-12(8-21)9-23-10-13/h6-7,9-10H,2-5,11H2,1H3,(H2,22,24)/t18-/m0/s1 BKRFCIMYFIGWPL-SFHVURJKSA-N 190752 US9181236, 50 Beta-secretase 1 Homo sapiens 130 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532227 316936038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341245 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 InChI=1S/C17H19ClN4O3S2/c1-16(14-12(18)6-13(26-14)11-7-20-10-21-8-11)9-27(23,24)17(15(19)22-16)2-4-25-5-3-17/h6-8,10H,2-5,9H2,1H3,(H2,19,22)/t16-/m0/s1 BQJHRSMLPJPSJI-INIZCTEOSA-N 190753 US9181236, 51 Beta-secretase 1 Homo sapiens 688 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532284 316936039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341246 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C(F)(F)F InChI=1S/C20H20ClF3N2O3S2/c1-18(11-31(27,28)19(17(25)26-18)5-7-29-8-6-19)16-14(21)10-15(30-16)12-3-2-4-13(9-12)20(22,23)24/h2-4,9-10H,5-8,11H2,1H3,(H2,25,26)/t18-/m0/s1 DNHZFFCUHXIYBV-SFHVURJKSA-N 190754 US9181236, 52 Beta-secretase 1 Homo sapiens 147 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532285 316936040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341247 COc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 InChI=1S/C19H22ClN3O4S2/c1-18(11-29(24,25)19(17(21)23-18)3-5-27-6-4-19)16-14(20)8-15(28-16)12-7-13(26-2)10-22-9-12/h7-10H,3-6,11H2,1-2H3,(H2,21,23)/t18-/m0/s1 NISZBHKBHMTMGU-SFHVURJKSA-N 190755 US9181236, 53 Beta-secretase 1 Homo sapiens 555 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532286 316936041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341248 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C(F)(F)F InChI=1S/C19H19ClF3N3O3S2/c1-17(10-31(27,28)18(16(24)26-17)2-4-29-5-3-18)15-13(20)7-14(30-15)11-6-12(9-25-8-11)19(21,22)23/h6-9H,2-5,10H2,1H3,(H2,24,26)/t17-/m0/s1 QNCLBVGRWYZFIY-KRWDZBQOSA-N 190756 US9181236, 54 Beta-secretase 1 Homo sapiens 157 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419901 316936042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341249 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(F)c1 InChI=1S/C18H19ClFN3O3S2/c1-17(10-28(24,25)18(16(21)23-17)2-4-26-5-3-18)15-13(19)7-14(27-15)11-6-12(20)9-22-8-11/h6-9H,2-5,10H2,1H3,(H2,21,23)/t17-/m0/s1 PZNDEHXLCVNECR-KRWDZBQOSA-N 190757 US9181236, 55 Beta-secretase 1 Homo sapiens 260 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419835 316936043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341250 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)N1CCCC1 InChI=1S/C23H28ClN3O3S2/c1-22(15-32(28,29)23(21(25)26-22)7-11-30-12-8-23)20-18(24)14-19(31-20)16-5-4-6-17(13-16)27-9-2-3-10-27/h4-6,13-14H,2-3,7-12,15H2,1H3,(H2,25,26)/t22-/m0/s1 QMGKLTPSEIERIH-QFIPXVFZSA-N 190758 US9181236, 56 Beta-secretase 1 Homo sapiens 5743 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419833 316936044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341251 COc1cc(cc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1)C#N InChI=1S/C21H22ClN3O4S2/c1-20(12-31(26,27)21(19(24)25-20)3-5-29-6-4-21)18-16(22)10-17(30-18)14-7-13(11-23)8-15(9-14)28-2/h7-10H,3-6,12H2,1-2H3,(H2,24,25)/t20-/m0/s1 KQDDCVXWYJDOKS-FQEVSTJZSA-N 190759 US9181236, 57 Beta-secretase 1 Homo sapiens 161 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532287 316936045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341252 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C21H21ClN4O4S2/c1-20(11-32(27,28)21(19(23)25-20)5-7-29-8-6-21)17-15(22)10-16(31-17)13-3-2-4-14(9-13)18-26-24-12-30-18/h2-4,9-10,12H,5-8,11H2,1H3,(H2,23,25)/t20-/m0/s1 PFJYHTIJDQMDLF-FQEVSTJZSA-N 190760 US9181236, 57a Beta-secretase 1 Homo sapiens 34.9 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419834 316936046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341253 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 190761 US9181236, 58 Beta-secretase 1 Homo sapiens 7.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419892 316936047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341254 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)[N+]#[C-] InChI=1S/C18H17ClN4O2S2/c1-17(10-27(24,25)18(4-3-5-18)16(20)23-17)15-13(19)7-14(26-15)11-6-12(21-2)9-22-8-11/h6-9H,3-5,10H2,1H3,(H2,20,23)/t17-/m0/s1 QVOVMMNAVRTRCL-KRWDZBQOSA-N 190762 US9181236, 59 Beta-secretase 1 Homo sapiens 56 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494138 316936048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341255 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 InChI=1S/C16H17ClN4O2S2/c1-15(8-25(22,23)16(3-2-4-16)14(18)21-15)13-11(17)5-12(24-13)10-6-19-9-20-7-10/h5-7,9H,2-4,8H2,1H3,(H2,18,21)/t15-/m0/s1 ZYXFMVGPCONVBU-HNNXBMFYSA-N 190763 US9181236, 60 Beta-secretase 1 Homo sapiens 374 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532288 316936049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341256 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)[N+]#[C-] InChI=1S/C19H18ClN3O2S2/c1-18(11-27(24,25)19(7-4-8-19)17(21)23-18)16-14(20)10-15(26-16)12-5-3-6-13(9-12)22-2/h3,5-6,9-10H,4,7-8,11H2,1H3,(H2,21,23)/t18-/m0/s1 NIKMCOHYQYSMPX-SFHVURJKSA-N 190764 US9181236, 61 Beta-secretase 1 Homo sapiens 35.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494139 316936050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341257 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C20H19ClN4O3S2/c1-19(10-30(26,27)20(6-3-7-20)18(22)24-19)16-14(21)9-15(29-16)12-4-2-5-13(8-12)17-25-23-11-28-17/h2,4-5,8-9,11H,3,6-7,10H2,1H3,(H2,22,24)/t19-/m0/s1 WDDKHIMVXTWBGB-IBGZPJMESA-N 190765 US9181236, 61a Beta-secretase 1 Homo sapiens 18.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419893 316936051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341258 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C20H22FN5O5S/c1-19(11-32(28,29)20(18(22)26-19)5-6-31-10-20)13-7-12(3-4-14(13)21)25-17(27)15-8-24-16(30-2)9-23-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,22,26)(H,25,27)/t19-,20-/m0/s1 DRLLKMFQLBDKBH-PMACEKPBSA-N 190766 US9181236, 62 Beta-secretase 1 Homo sapiens 25.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419837 316936052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341259 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C21H23FN4O5S/c1-20(12-32(28,29)21(19(23)26-20)7-8-31-11-21)15-9-13(3-5-16(15)22)25-18(27)17-6-4-14(30-2)10-24-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,23,26)(H,25,27)/t20-,21-/m0/s1 CBUFFWOZPOZOQD-SFTDATJTSA-N 190767 US9181236, 62a Beta-secretase 1 Homo sapiens 30.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419926 316936053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341260 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20-/m0/s1 VBGOWSNHHLRKMG-PMACEKPBSA-N 190768 US9181236, 62b Beta-secretase 1 Homo sapiens 24 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419904 316936054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341261 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20-/m0/s1 RLICXMNKTDOVDH-PMACEKPBSA-N 190769 US9181236, 62c Beta-secretase 1 Homo sapiens 8.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419915 316936055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341262 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H20F4N4O4S/c1-19(11-34(31,32)20(18(26)29-19)6-7-33-10-20)14-8-13(3-4-15(14)22)28-17(30)16-5-2-12(9-27-16)21(23,24)25/h2-5,8-9H,6-7,10-11H2,1H3,(H2,26,29)(H,28,30)/t19-,20-/m0/s1 RPIUMYMKUDIWNE-PMACEKPBSA-N 190770 US9181236, 62d Beta-secretase 1 Homo sapiens 17 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419923 316936056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341263 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C21H20FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-8-31-11-21)15-9-13(3-5-16(15)22)26-18(28)17-6-4-14(24-2)10-25-17/h3-6,9-10H,7-8,11-12H2,1H3,(H2,23,27)(H,26,28)/t20-,21-/m0/s1 USZRFRJIUFHLAK-SFTDATJTSA-N 190771 US9181236, 62e Beta-secretase 1 Homo sapiens 6.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494140 316936057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341264 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 InChI=1S/C20H22FN5O5S/c1-19(11-32(28,29)20(18(22)26-19)5-6-31-10-20)13-7-12(3-4-14(13)21)25-17(27)15-8-24-16(30-2)9-23-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,22,26)(H,25,27)/t19-,20+/m0/s1 DRLLKMFQLBDKBH-VQTJNVASSA-N 190781 US9181236, 63 Beta-secretase 1 Homo sapiens 41 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419843 316936067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341265 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 InChI=1S/C21H23FN4O5S/c1-20(12-32(28,29)21(19(23)26-20)7-8-31-11-21)15-9-13(3-5-16(15)22)25-18(27)17-6-4-14(30-2)10-24-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,23,26)(H,25,27)/t20-,21+/m0/s1 CBUFFWOZPOZOQD-LEWJYISDSA-N 190782 US9181236, 63a Beta-secretase 1 Homo sapiens 24.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419934 316936068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341266 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20+/m0/s1 VBGOWSNHHLRKMG-VQTJNVASSA-N 190783 US9181236, 63b Beta-secretase 1 Homo sapiens 18.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419925 316936069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341267 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20+/m0/s1 RLICXMNKTDOVDH-VQTJNVASSA-N 190784 US9181236, 63c Beta-secretase 1 Homo sapiens 5.9 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419932 316936070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341268 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C21H20FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-8-31-11-21)15-9-13(3-5-16(15)22)26-18(28)17-6-4-14(24-2)10-25-17/h3-6,9-10H,7-8,11-12H2,1H3,(H2,23,27)(H,26,28)/t20-,21+/m0/s1 USZRFRJIUFHLAK-LEWJYISDSA-N 190785 US9181236, 63d Beta-secretase 1 Homo sapiens 5.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494141 316936071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341269 CC1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C18H17ClN4O3S2/c1-17(10-28(24,25)18(16(21)23-17)2-3-26-9-18)15-13(19)5-14(27-15)12-4-11(6-20)7-22-8-12/h4-5,7-8H,2-3,9-10H2,1H3,(H2,21,23)/t17?,18-/m0/s1 AGTITCAYQXIUEM-ZVAWYAOSSA-N 190772 US9181236, 62f Beta-secretase 1 Homo sapiens 67.1 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419911 316936058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341270 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 190773 US9181236, 62g Beta-secretase 1 Homo sapiens 6.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419903 316936059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341271 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 InChI=1S/C20H19ClN4O4S2/c1-19(11-31(26,27)20(18(22)25-19)2-4-28-10-20)16-14(21)7-15(30-16)12-6-13(9-23-8-12)17-24-3-5-29-17/h3,5-9H,2,4,10-11H2,1H3,(H2,22,25)/t19-,20-/m0/s1 UZFBWJUQLKQDLI-PMACEKPBSA-N 190774 US9181236, 62h Beta-secretase 1 Homo sapiens 56.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419919 316936060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341272 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)N1CCOCC1 InChI=1S/C21H25ClN4O4S2/c1-20(13-32(27,28)21(19(23)25-20)2-5-30-12-21)18-16(22)9-17(31-18)14-8-15(11-24-10-14)26-3-6-29-7-4-26/h8-11H,2-7,12-13H2,1H3,(H2,23,25)/t20-,21-/m0/s1 IDJVIBIBYDMHQK-SFTDATJTSA-N 190775 US9181236, 62i Beta-secretase 1 Homo sapiens 1662 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419920 316936061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341273 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccoc1 InChI=1S/C21H20ClN3O4S2/c1-20(12-31(26,27)21(19(23)25-20)4-7-29-11-21)18-15(22)9-17(30-18)13-2-5-24-16(8-13)14-3-6-28-10-14/h2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,23,25)/t20-,21-/m0/s1 VDMXQZGFUSCMMR-SFTDATJTSA-N 190776 US9181236, 62j Beta-secretase 1 Homo sapiens 295.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419921 316936062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341274 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1cccs1 InChI=1S/C21H20ClN3O3S3/c1-20(12-31(26,27)21(19(23)25-20)5-7-28-11-21)18-14(22)10-17(30-18)13-4-6-24-15(9-13)16-3-2-8-29-16/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,23,25)/t20-,21-/m0/s1 DVZMBUIUHKIWNE-SFTDATJTSA-N 190777 US9181236, 62k Beta-secretase 1 Homo sapiens 305.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419917 316936063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341275 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccco1 InChI=1S/C21H20ClN3O4S2/c1-20(12-31(26,27)21(19(23)25-20)5-8-28-11-21)18-14(22)10-17(30-18)13-4-6-24-15(9-13)16-3-2-7-29-16/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H2,23,25)/t20-,21-/m0/s1 XMAJTXQDFFTSRK-SFTDATJTSA-N 190778 US9181236, 62l Beta-secretase 1 Homo sapiens 45.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419922 316936064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341276 CC(C)(O)c1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C20H24ClN3O4S2/c1-18(2,25)13-6-12(8-23-9-13)15-7-14(21)16(29-15)19(3)11-30(26,27)20(17(22)24-19)4-5-28-10-20/h6-9,25H,4-5,10-11H2,1-3H3,(H2,22,24)/t19-,20-/m0/s1 QSEPSFBUKLXLRB-PMACEKPBSA-N 190779 US9181236, 62m Beta-secretase 1 Homo sapiens 2422 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419918 316936065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341277 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccccc1 InChI=1S/C23H22ClN3O3S2/c1-22(14-32(28,29)23(21(25)27-22)8-10-30-13-23)20-17(24)12-19(31-20)16-7-9-26-18(11-16)15-5-3-2-4-6-15/h2-7,9,11-12H,8,10,13-14H2,1H3,(H2,25,27)/t22-,23-/m0/s1 KBPPPKWKTMOHMZ-GOTSBHOMSA-N 190780 US9181236, 62n Beta-secretase 1 Homo sapiens 312.8 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419924 316936066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341278 CC1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C18H17ClN4O3S2/c1-17(10-28(24,25)18(16(21)23-17)2-3-26-9-18)15-13(19)5-14(27-15)12-4-11(6-20)7-22-8-12/h4-5,7-8H,2-3,9-10H2,1H3,(H2,21,23)/t17?,18-/m1/s1 AGTITCAYQXIUEM-QRWMCTBCSA-N 190786 US9181236, 63e Beta-secretase 1 Homo sapiens 192 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419891 316936072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341279 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 190787 US9181236, 63f Beta-secretase 1 Homo sapiens 14.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419936 316936073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341280 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C20H19ClN4O4S2/c1-19(10-31(26,27)20(18(22)24-19)5-6-28-9-20)16-14(21)8-15(30-16)12-3-2-4-13(7-12)17-25-23-11-29-17/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,22,24)/t19-,20+/m0/s1 HWLPUVPUYORSNI-VQTJNVASSA-N 190788 US9181236, 63g Beta-secretase 1 Homo sapiens 20.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419935 316936074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341281 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 InChI=1S/C20H19ClN4O4S2/c1-19(11-31(26,27)20(18(22)25-19)2-4-28-10-20)16-14(21)7-15(30-16)12-6-13(9-23-8-12)17-24-3-5-29-17/h3,5-9H,2,4,10-11H2,1H3,(H2,22,25)/t19-,20+/m0/s1 UZFBWJUQLKQDLI-VQTJNVASSA-N 190789 US9181236, 63h Beta-secretase 1 Homo sapiens 106.6 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419937 316936075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341282 CCc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 InChI=1S/C19H22ClN3O3S2/c1-3-12-6-13(9-22-8-12)15-7-14(20)16(27-15)18(2)11-28(24,25)19(17(21)23-18)4-5-26-10-19/h6-9H,3-5,10-11H2,1-2H3,(H2,21,23)/t18-,19+/m0/s1 DWVJHGJXHWWCTD-RBUKOAKNSA-N 190790 US9181236, 63i Beta-secretase 1 Homo sapiens 1776 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419912 316936076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341283 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)N1CCOCC1 InChI=1S/C21H25ClN4O4S2/c1-20(13-32(27,28)21(19(23)25-20)2-5-30-12-21)18-16(22)9-17(31-18)14-8-15(11-24-10-14)26-3-6-29-7-4-26/h8-11H,2-7,12-13H2,1H3,(H2,23,25)/t20-,21+/m0/s1 IDJVIBIBYDMHQK-LEWJYISDSA-N 190791 US9181236, 63j Beta-secretase 1 Homo sapiens 3689 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419890 316936077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341284 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccccc1 InChI=1S/C23H22ClN3O3S2/c1-22(14-32(28,29)23(21(25)27-22)8-10-30-13-23)20-17(24)12-19(31-20)16-7-9-26-18(11-16)15-5-3-2-4-6-15/h2-7,9,11-12H,8,10,13-14H2,1H3,(H2,25,27)/t22-,23+/m0/s1 KBPPPKWKTMOHMZ-XZOQPEGZSA-N 190792 US9181236, 63k Beta-secretase 1 Homo sapiens 849 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419887 316936078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341285 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccoc1 InChI=1S/C21H20ClN3O4S2/c1-20(12-31(26,27)21(19(23)25-20)4-7-29-11-21)18-15(22)9-17(30-18)13-2-5-24-16(8-13)14-3-6-28-10-14/h2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,23,25)/t20-,21+/m0/s1 VDMXQZGFUSCMMR-LEWJYISDSA-N 190793 US9181236, 63l Beta-secretase 1 Homo sapiens 673.8 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419896 316936079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341286 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1cccs1 InChI=1S/C21H20ClN3O3S3/c1-20(12-31(26,27)21(19(23)25-20)5-7-28-11-21)18-14(22)10-17(30-18)13-4-6-24-15(9-13)16-3-2-8-29-16/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,23,25)/t20-,21+/m0/s1 DVZMBUIUHKIWNE-LEWJYISDSA-N 190794 US9181236, 63m Beta-secretase 1 Homo sapiens 986.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419899 316936080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341287 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccsc1 InChI=1S/C21H20ClN3O3S3/c1-20(12-31(26,27)21(19(23)25-20)4-6-28-11-21)18-15(22)9-17(30-18)13-2-5-24-16(8-13)14-3-7-29-10-14/h2-3,5,7-10H,4,6,11-12H2,1H3,(H2,23,25)/t20-,21+/m0/s1 AWAMUWVIPTUDIC-LEWJYISDSA-N 190795 US9181236, 63n Beta-secretase 1 Homo sapiens 428.2 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419897 316936081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341288 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 190796 US9181236, 64 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532430 316936082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341289 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)[N+]#[C-] InChI=1S/C17H15ClN4O2S2/c1-16(9-26(23,24)17(3-4-17)15(19)22-16)14-12(18)6-13(25-14)10-5-11(20-2)8-21-7-10/h5-8H,3-4,9H2,1H3,(H2,19,22)/t16-/m0/s1 QPDBFNARPOLNRB-INIZCTEOSA-N 190797 US9181236, 65 Beta-secretase 1 Homo sapiens 108 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494142 316936083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341290 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C19H17ClN4O3S2/c1-18(9-29(25,26)19(5-6-19)17(21)23-18)15-13(20)8-14(28-15)11-3-2-4-12(7-11)16-24-22-10-27-16/h2-4,7-8,10H,5-6,9H2,1H3,(H2,21,23)/t18-/m0/s1 AIIRELZSHSFIJG-SFHVURJKSA-N 190798 US9181236, 65a Beta-secretase 1 Homo sapiens 11 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419864 316936084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341291 C[C@]1(CS(=O)(=O)C2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-19(10-31(29,30)20(18(23)26-19)7-13(27)8-20)14-6-12(3-4-15(14)22)25-17(28)16-5-2-11(21)9-24-16/h2-6,9,13,27H,7-8,10H2,1H3,(H2,23,26)(H,25,28)/t13-,19-,20?/m0/s1 CCUVIHBHXVVLDY-NXAXYOPQSA-N 190807 US9181236, 74 Beta-secretase 1 Homo sapiens 21.8 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532434 316936085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341292 C[C@]1(CS(=O)(=O)[C@]2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-19(10-31(29,30)20(18(23)26-19)7-13(27)8-20)14-6-12(3-4-15(14)22)25-17(28)16-5-2-11(21)9-24-16/h2-6,9,13,27H,7-8,10H2,1H3,(H2,23,26)(H,25,28)/t13-,19-,20-/m0/s1 CCUVIHBHXVVLDY-MRFFXTKBSA-N 190808 US9181236, 75 Beta-secretase 1 Homo sapiens 12.5 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532434 316936086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341293 C[C@]1(CS(=O)(=O)C2(CCC(O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O4S/c1-20(11-32(30,31)21(19(24)27-20)7-6-14(28)9-21)15-8-13(3-4-16(15)23)26-18(29)17-5-2-12(22)10-25-17/h2-5,8,10,14,28H,6-7,9,11H2,1H3,(H2,24,27)(H,26,29)/t14?,20-,21?/m0/s1 PAJSDOHDTCSASR-NAXCRDPKSA-N 190809 US9181236, 76a (isomeric sample 1)::US9181236, 76b (isomeric sample 2) Beta-secretase 1 Homo sapiens 9.3 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419860 316936087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341294 C[C@]1(CS(=O)(=O)C2(CCC(O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O4S/c1-20(11-32(30,31)21(19(24)27-20)7-6-14(28)9-21)15-8-13(3-4-16(15)23)26-18(29)17-5-2-12(22)10-25-17/h2-5,8,10,14,28H,6-7,9,11H2,1H3,(H2,24,27)(H,26,29)/t14?,20-,21?/m0/s1 PAJSDOHDTCSASR-NAXCRDPKSA-N 190809 US9181236, 76a (isomeric sample 1)::US9181236, 76b (isomeric sample 2) Beta-secretase 1 Homo sapiens 104.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419860 316936087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341295 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)C#CC1(CCCC1)c1ccccc1 InChI=1S/C25H27ClN2O2S2/c1-23(17-32(29,30)25(13-7-14-25)22(27)28-23)21-20(26)16-19(31-21)10-15-24(11-5-6-12-24)18-8-3-2-4-9-18/h2-4,8-9,16H,5-7,11-14,17H2,1H3,(H2,27,28)/t23-/m0/s1 JPZGRONGKIIGJT-QHCPKHFHSA-N 190811 US9181236, 77 Beta-secretase 1 Homo sapiens 2552 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532435 316936088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341296 CC(C)(C)C#Cc1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 InChI=1S/C18H23ClN2O2S2/c1-16(2,3)9-6-12-10-13(19)14(24-12)17(4)11-25(22,23)18(7-5-8-18)15(20)21-17/h10H,5,7-8,11H2,1-4H3,(H2,20,21)/t17-/m0/s1 HRICSMLGCLIGIL-KRWDZBQOSA-N 190812 US9181236, 77a Beta-secretase 1 Homo sapiens 165.4 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532487 316936089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341297 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)C#CC1CCCC1 InChI=1S/C19H23ClN2O2S2/c1-18(12-26(23,24)19(9-4-10-19)17(21)22-18)16-15(20)11-14(25-16)8-7-13-5-2-3-6-13/h11,13H,2-6,9-10,12H2,1H3,(H2,21,22)/t18-/m0/s1 REAMUSFVFQVUST-SFHVURJKSA-N 190813 US9181236, 77b Beta-secretase 1 Homo sapiens 109.9 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532488 316936090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341298 CNCCC#Cc1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 InChI=1S/C17H22ClN3O2S2/c1-16(11-25(22,23)17(7-5-8-17)15(19)21-16)14-13(18)10-12(24-14)6-3-4-9-20-2/h10,20H,4-5,7-9,11H2,1-2H3,(H2,19,21)/t16-/m0/s1 JFHMLQVGEMOIKQ-INIZCTEOSA-N 190814 US9181236, 77c Beta-secretase 1 Homo sapiens 104.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494143 316936091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341299 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)C#CCN1CCOCC1 InChI=1S/C19H24ClN3O3S2/c1-18(13-28(24,25)19(5-3-6-19)17(21)22-18)16-15(20)12-14(27-16)4-2-7-23-8-10-26-11-9-23/h12H,3,5-11,13H2,1H3,(H2,21,22)/t18-/m0/s1 KBVJHEKCYKVSSI-SFHVURJKSA-N 190815 US9181236, 77d Beta-secretase 1 Homo sapiens 2362 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419868 316936092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341300 CCc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CC3)C(=N)N2)n1 InChI=1S/C19H21ClN4O3S2/c1-3-11-5-4-6-14(22-11)23-16(25)13-9-12(20)15(28-13)18(2)10-29(26,27)19(7-8-19)17(21)24-18/h4-6,9H,3,7-8,10H2,1-2H3,(H2,21,24)(H,22,23,25)/t18-/m0/s1 QSAWERYBYXJFPA-SFHVURJKSA-N 190817 US9181236, 79 Beta-secretase 1 Homo sapiens 88 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419877 316936094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341301 COc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CC3)C(=N)N2)n1 InChI=1S/C18H19ClN4O4S2/c1-17(9-29(25,26)18(6-7-18)16(20)23-17)14-10(19)8-11(28-14)15(24)22-12-4-3-5-13(21-12)27-2/h3-5,8H,6-7,9H2,1-2H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1 DCNKSPJFLQQQJH-KRWDZBQOSA-N 190818 US9181236, 79a Beta-secretase 1 Homo sapiens 74 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419874 316936095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341302 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(Cl)n1 InChI=1S/C17H16Cl2N4O3S2/c1-16(8-28(25,26)17(5-6-17)15(20)23-16)13-9(18)7-10(27-13)14(24)22-12-4-2-3-11(19)21-12/h2-4,7H,5-6,8H2,1H3,(H2,20,23)(H,21,22,24)/t16-/m0/s1 ZDTJTDIIMIGBRP-INIZCTEOSA-N 190819 US9181236, 79b Beta-secretase 1 Homo sapiens 17 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419872 316936096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341303 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(F)n1 InChI=1S/C17H16ClFN4O3S2/c1-16(8-28(25,26)17(5-6-17)15(20)23-16)13-9(18)7-10(27-13)14(24)22-12-4-2-3-11(19)21-12/h2-4,7H,5-6,8H2,1H3,(H2,20,23)(H,21,22,24)/t16-/m0/s1 UZEFHGYLBSEYOQ-INIZCTEOSA-N 190820 US9181236, 79c Beta-secretase 1 Homo sapiens 227 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419869 316936097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341304 Cc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CC3)C(=N)N2)n1 InChI=1S/C18H19ClN4O3S2/c1-10-4-3-5-13(21-10)22-15(24)12-8-11(19)14(27-12)17(2)9-28(25,26)18(6-7-18)16(20)23-17/h3-5,8H,6-7,9H2,1-2H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1 MYOKSGUEBFQLKZ-KRWDZBQOSA-N 190821 US9181236, 79d Beta-secretase 1 Homo sapiens 30 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419870 316936098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341305 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnoc1 InChI=1S/C19H23ClN4O4S2/c1-18(11-30(26,27)19(17(21)24-18)5-3-2-4-6-19)15-13(20)7-14(29-15)16(25)22-8-12-9-23-28-10-12/h7,9-10H,2-6,8,11H2,1H3,(H2,21,24)(H,22,25)/t18-/m0/s1 VVNBYYFGTMSNLV-SFHVURJKSA-N 190822 US9181236, 80 Beta-secretase 1 Homo sapiens 249 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532492 316936099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341306 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnsn1 InChI=1S/C18H22ClN5O3S3/c1-17(10-30(26,27)18(16(20)23-17)5-3-2-4-6-18)14-12(19)7-13(28-14)15(25)21-8-11-9-22-29-24-11/h7,9H,2-6,8,10H2,1H3,(H2,20,23)(H,21,25)/t17-/m0/s1 JICSQZGYUREMNT-KRWDZBQOSA-N 190823 US9181236, 80a Beta-secretase 1 Homo sapiens 144 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419867 316936100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341307 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnn2ccccc12 InChI=1S/C23H26ClN5O3S2/c1-22(14-34(31,32)23(21(25)28-22)8-4-2-5-9-23)19-16(24)11-18(33-19)20(30)26-12-15-13-27-29-10-6-3-7-17(15)29/h3,6-7,10-11,13H,2,4-5,8-9,12,14H2,1H3,(H2,25,28)(H,26,30)/t22-/m0/s1 XWZZAZLPUHKFIP-QFIPXVFZSA-N 190824 US9181236, 80b Beta-secretase 1 Homo sapiens 41 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419873 316936101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341308 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccncn1 InChI=1S/C20H24ClN5O3S2/c1-19(11-31(28,29)20(18(22)26-19)6-3-2-4-7-20)16-14(21)9-15(30-16)17(27)24-10-13-5-8-23-12-25-13/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,22,26)(H,24,27)/t19-/m0/s1 QPKDYJQFYDRGIU-IBGZPJMESA-N 190825 US9181236, 80c Beta-secretase 1 Homo sapiens 4154 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419871 316936102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341309 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(F)c1 InChI=1S/C22H25ClFN3O3S2/c1-21(13-32(29,30)22(20(25)27-21)8-3-2-4-9-22)18-16(23)11-17(31-18)19(28)26-12-14-6-5-7-15(24)10-14/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H2,25,27)(H,26,28)/t21-/m0/s1 JLRPPESKRIYDBK-NRFANRHFSA-N 190826 US9181236, 80d Beta-secretase 1 Homo sapiens 5116 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419876 316936103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341310 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(F)cc1 InChI=1S/C22H25ClFN3O3S2/c1-21(13-32(29,30)22(20(25)27-21)9-3-2-4-10-22)18-16(23)11-17(31-18)19(28)26-12-14-5-7-15(24)8-6-14/h5-8,11H,2-4,9-10,12-13H2,1H3,(H2,25,27)(H,26,28)/t21-/m0/s1 LDQJMUICCQIZFG-NRFANRHFSA-N 190827 US9181236, 80e Beta-secretase 1 Homo sapiens 588 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419878 316936104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341311 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(cc1)[N+]#[C-] InChI=1S/C23H25ClN4O3S2/c1-22(14-33(30,31)23(21(25)28-22)10-4-3-5-11-23)19-17(24)12-18(32-19)20(29)27-13-15-6-8-16(26-2)9-7-15/h6-9,12H,3-5,10-11,13-14H2,1H3,(H2,25,28)(H,27,29)/t22-/m0/s1 HHIACWLMFYCRGU-QFIPXVFZSA-N 190828 US9181236, 80f Beta-secretase 1 Homo sapiens 851 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121494144 316936105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341312 Cc1cncc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)c1 InChI=1S/C21H25ClN4O3S2/c1-13-8-14(11-24-10-13)25-18(27)16-9-15(22)17(30-16)20(2)12-31(28,29)21(19(23)26-20)6-4-3-5-7-21/h8-11H,3-7,12H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1 GQZARDGHXJUXMV-FQEVSTJZSA-N 190829 US9181236, 80g Beta-secretase 1 Homo sapiens 2156 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419865 316936106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341313 Cc1cc2cccc(NC(=O)c3cc(Cl)c(s3)[C@]3(C)CS(=O)(=O)C4(CCCCC4)C(=N)N3)c2o1 InChI=1S/C24H26ClN3O4S2/c1-14-11-15-7-6-8-17(19(15)32-14)27-21(29)18-12-16(25)20(33-18)23(2)13-34(30,31)24(22(26)28-23)9-4-3-5-10-24/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H2,26,28)(H,27,29)/t23-/m0/s1 NJHFEBYFKWNBFN-QHCPKHFHSA-N 190831 US9181236, 80i Beta-secretase 1 Homo sapiens 6048 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532532 316936107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341314 Cn1ccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)n1 InChI=1S/C19H24ClN5O3S2/c1-18(11-30(27,28)19(17(21)23-18)7-4-3-5-8-19)15-12(20)10-13(29-15)16(26)22-14-6-9-25(2)24-14/h6,9-10H,3-5,7-8,11H2,1-2H3,(H2,21,23)(H,22,24,26)/t18-/m0/s1 ORAPEURFPLWSSN-SFHVURJKSA-N 190832 US9181236, 80j Beta-secretase 1 Homo sapiens 2009 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419866 316936108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341315 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccsn1 InChI=1S/C19H23ClN4O3S3/c1-18(11-30(26,27)19(17(21)23-18)6-3-2-4-7-19)15-13(20)9-14(29-15)16(25)22-10-12-5-8-28-24-12/h5,8-9H,2-4,6-7,10-11H2,1H3,(H2,21,23)(H,22,25)/t18-/m0/s1 MXAUBAXYRVKFRE-SFHVURJKSA-N 190833 US9181236, 80k Beta-secretase 1 Homo sapiens 121 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419916 316936109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341316 COc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)n1 InChI=1S/C21H25ClN4O4S2/c1-20(12-32(28,29)21(19(23)26-20)9-4-3-5-10-21)17-13(22)11-14(31-17)18(27)25-15-7-6-8-16(24-15)30-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H2,23,26)(H,24,25,27)/t20-/m0/s1 OUBYJTNNHJRVPJ-FQEVSTJZSA-N 190834 US9181236, 80l Beta-secretase 1 Homo sapiens 207 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419906 316936110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341317 CCc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)n1 InChI=1S/C22H27ClN4O3S2/c1-3-14-8-7-9-17(25-14)26-19(28)16-12-15(23)18(31-16)21(2)13-32(29,30)22(20(24)27-21)10-5-4-6-11-22/h7-9,12H,3-6,10-11,13H2,1-2H3,(H2,24,27)(H,25,26,28)/t21-/m0/s1 CJJZWGMYUZUOFV-NRFANRHFSA-N 190835 US9181236, 80m Beta-secretase 1 Homo sapiens 717 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419907 316936111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341318 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C18H22FN3O4S/c1-17(10-27(24,25)18(16(20)22-17)6-7-26-9-18)13-8-12(4-5-14(13)19)21-15(23)11-2-3-11/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H2,20,22)(H,21,23)/t17-,18-/m0/s1 CWVYJHGANFNMLI-ROUUACIJSA-N 190836 US9181236, 81 Beta-secretase 1 Homo sapiens 5166 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289805 316936112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341319 CCOCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C18H24FN3O5S/c1-3-26-9-15(23)21-12-4-5-14(19)13(8-12)17(2)11-28(24,25)18(16(20)22-17)6-7-27-10-18/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,20,22)(H,21,23)/t17-,18-/m0/s1 HELRUTGCXHYCNR-ROUUACIJSA-N 190837 US9181236, 81a Beta-secretase 1 Homo sapiens 4148 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289818 316936113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341320 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccno2)ccc1F InChI=1S/C18H19FN4O5S/c1-17(10-29(25,26)18(16(20)23-17)5-7-27-9-18)12-8-11(2-3-13(12)19)22-15(24)14-4-6-21-28-14/h2-4,6,8H,5,7,9-10H2,1H3,(H2,20,23)(H,22,24)/t17-,18-/m0/s1 BNZMRZZXRSTSMP-ROUUACIJSA-N 190838 US9181236, 81b Beta-secretase 1 Homo sapiens 300 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289746 316936114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341321 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2cocn2)ccc1F InChI=1S/C18H19FN4O5S/c1-17(9-29(25,26)18(16(20)23-17)4-5-27-8-18)12-6-11(2-3-13(12)19)22-15(24)14-7-28-10-21-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-,18-/m0/s1 USTBITMCWRPAEI-ROUUACIJSA-N 190839 US9181236, 81c Beta-secretase 1 Homo sapiens 180 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289807 316936115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341322 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CCO2)ccc1F InChI=1S/C18H22FN3O5S/c1-17(10-28(24,25)18(16(20)22-17)5-7-26-9-18)12-8-11(2-3-13(12)19)21-15(23)14-4-6-27-14/h2-3,8,14H,4-7,9-10H2,1H3,(H2,20,22)(H,21,23)/t14?,17-,18-/m0/s1 HYHFRFRBDPBVSQ-UNWPMLMHSA-N 190840 US9181236, 81d Beta-secretase 1 Homo sapiens 488 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289822 316936116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341323 CC1(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C19H24FN3O4S/c1-17(5-6-17)16(24)22-12-3-4-14(20)13(9-12)18(2)11-28(25,26)19(15(21)23-18)7-8-27-10-19/h3-4,9H,5-8,10-11H2,1-2H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1 VUDHVLDMTCOZNK-OALUTQOASA-N 190841 US9181236, 81e Beta-secretase 1 Homo sapiens 998 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289799 316936117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341324 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CCC2)ccc1F InChI=1S/C19H24FN3O4S/c1-18(11-28(25,26)19(17(21)23-18)7-8-27-10-19)14-9-13(5-6-15(14)20)22-16(24)12-3-2-4-12/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1 CCDVWAKATWKYLC-OALUTQOASA-N 190842 US9181236, 81f Beta-secretase 1 Homo sapiens 2080 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289748 316936118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341325 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)CC2CC2)ccc1F InChI=1S/C19H24FN3O4S/c1-18(11-28(25,26)19(17(21)23-18)6-7-27-10-19)14-9-13(4-5-15(14)20)22-16(24)8-12-2-3-12/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1 ROAGDRLNOLKMTL-OALUTQOASA-N 190843 US9181236, 81g Beta-secretase 1 Homo sapiens 2960 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289753 316936119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341326 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C20H22FN5O4S/c1-12-8-24-16(9-23-12)17(27)25-13-3-4-15(21)14(7-13)19(2)11-31(28,29)20(18(22)26-19)5-6-30-10-20/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,22,26)(H,25,27)/t19-,20-/m0/s1 NGBXOQBHDJZULB-PMACEKPBSA-N 190844 US9181236, 81h Beta-secretase 1 Homo sapiens 108 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289808 316936120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341327 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2(CC2)C#N)ccc1F InChI=1S/C19H21FN4O4S/c1-17(11-29(26,27)19(15(22)24-17)6-7-28-10-19)13-8-12(2-3-14(13)20)23-16(25)18(9-21)4-5-18/h2-3,8H,4-7,10-11H2,1H3,(H2,22,24)(H,23,25)/t17-,19-/m0/s1 NIFZXSJOWGYHMV-HKUYNNGSSA-N 190845 US9181236, 81i Beta-secretase 1 Homo sapiens 741 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289870 316936121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341328 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)[C@H]2CCCO2)ccc1F InChI=1S/C19H24FN3O5S/c1-18(11-29(25,26)19(17(21)23-18)6-8-27-10-19)13-9-12(4-5-14(13)20)22-16(24)15-3-2-7-28-15/h4-5,9,15H,2-3,6-8,10-11H2,1H3,(H2,21,23)(H,22,24)/t15-,18+,19+/m1/s1 PEBRPLPTHGHLKZ-MNEFBYGVSA-N 190846 US9181236, 81j Beta-secretase 1 Homo sapiens 1402 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289758 316936122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341329 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C20H19F3N4O4S/c1-19(10-32(29,30)20(18(24)27-19)4-5-31-9-20)13-7-12(2-3-14(13)22)26-17(28)16-15(23)6-11(21)8-25-16/h2-3,6-8H,4-5,9-10H2,1H3,(H2,24,27)(H,26,28)/t19-,20-/m0/s1 PGYKXVCGXDDQDR-PMACEKPBSA-N 190847 US9181236, 81k Beta-secretase 1 Homo sapiens 26 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289819 316936123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341330 CCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C17H22FN3O4S/c1-3-14(22)20-11-4-5-13(18)12(8-11)16(2)10-26(23,24)17(15(19)21-16)6-7-25-9-17/h4-5,8H,3,6-7,9-10H2,1-2H3,(H2,19,21)(H,20,22)/t16-,17-/m0/s1 WIYQVDZHTXRLMI-IRXDYDNUSA-N 190848 US9181236, 81l Beta-secretase 1 Homo sapiens 949 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289759 316936124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341331 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C21H21ClFN3O4S/c1-20(12-31(28,29)21(19(24)26-20)8-9-30-11-21)16-10-15(6-7-17(16)23)25-18(27)13-2-4-14(22)5-3-13/h2-7,10H,8-9,11-12H2,1H3,(H2,24,26)(H,25,27)/t20-,21-/m0/s1 ZJQHWXZRTSHQFW-SFTDATJTSA-N 190849 US9181236, 81m Beta-secretase 1 Homo sapiens 82 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289806 316936125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341332 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C(F)F)ccc1F InChI=1S/C16H18F3N3O4S/c1-15(8-27(24,25)16(14(20)22-15)4-5-26-7-16)10-6-9(2-3-11(10)17)21-13(23)12(18)19/h2-3,6,12H,4-5,7-8H2,1H3,(H2,20,22)(H,21,23)/t15-,16-/m0/s1 DNSGBFXBERCTKT-HOTGVXAUSA-N 190850 US9181236, 81n Beta-secretase 1 Homo sapiens 639 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289767 316936126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341333 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CCC2(F)F)ccc1F InChI=1S/C19H22F3N3O4S/c1-17(10-30(27,28)18(16(23)25-17)6-7-29-9-18)13-8-11(2-3-14(13)20)24-15(26)12-4-5-19(12,21)22/h2-3,8,12H,4-7,9-10H2,1H3,(H2,23,25)(H,24,26)/t12?,17-,18-/m0/s1 RZUQXEBCUFXLCE-MIIWOSQWSA-N 190851 US9181236, 81o Beta-secretase 1 Homo sapiens 3709 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289761 316936127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341334 CC1(COC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C19H24FN3O5S/c1-17(8-28-9-17)16(24)22-12-3-4-14(20)13(7-12)18(2)11-29(25,26)19(15(21)23-18)5-6-27-10-19/h3-4,7H,5-6,8-11H2,1-2H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1 JORNBIQDIPTCKW-OALUTQOASA-N 190852 US9181236, 81p Beta-secretase 1 Homo sapiens 4185 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289826 316936128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341335 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)CC(F)(F)F)ccc1F InChI=1S/C17H19F4N3O4S/c1-15(9-29(26,27)16(14(22)24-15)4-5-28-8-16)11-6-10(2-3-12(11)18)23-13(25)7-17(19,20)21/h2-3,6H,4-5,7-9H2,1H3,(H2,22,24)(H,23,25)/t15-,16-/m0/s1 SMWAFHSUWLSWSH-HOTGVXAUSA-N 190854 US9181236, 81r Beta-secretase 1 Homo sapiens 3169 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289820 316936129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341336 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CC2(F)F)ccc1F InChI=1S/C18H20F3N3O4S/c1-16(9-29(26,27)17(15(22)24-16)4-5-28-8-17)11-6-10(2-3-13(11)19)23-14(25)12-7-18(12,20)21/h2-3,6,12H,4-5,7-9H2,1H3,(H2,22,24)(H,23,25)/t12?,16-,17-/m0/s1 JKPKICRGEGPRQC-XZNKJRRYSA-N 190855 US9181236, 81s Beta-secretase 1 Homo sapiens 1247 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289786 316936130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341337 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2cncs2)ccc1F InChI=1S/C18H19FN4O4S2/c1-17(9-29(25,26)18(16(20)23-17)4-5-27-8-18)12-6-11(2-3-13(12)19)22-15(24)14-7-21-10-28-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-,18-/m0/s1 PIFKJZSSYXRCHP-ROUUACIJSA-N 190856 US9181236, 81t Beta-secretase 1 Homo sapiens 1945 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289769 316936131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341338 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2cscn2)ccc1F InChI=1S/C18H19FN4O4S2/c1-17(9-29(25,26)18(16(20)23-17)4-5-27-8-18)12-6-11(2-3-13(12)19)22-15(24)14-7-28-10-21-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-,18-/m0/s1 APMIDNPCDWTXRT-ROUUACIJSA-N 190857 US9181236, 81u Beta-secretase 1 Homo sapiens 433 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289792 316936132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341339 COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C17H22FN3O5S/c1-16(10-27(23,24)17(15(19)21-16)5-6-26-9-17)12-7-11(3-4-13(12)18)20-14(22)8-25-2/h3-4,7H,5-6,8-10H2,1-2H3,(H2,19,21)(H,20,22)/t16-,17-/m0/s1 VVNWAJXLGUIYTQ-IRXDYDNUSA-N 190859 US9181236, 81w Beta-secretase 1 Homo sapiens 429 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289763 316936133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341340 CC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C16H20FN3O4S/c1-10(21)19-11-3-4-13(17)12(7-11)15(2)9-25(22,23)16(14(18)20-15)5-6-24-8-16/h3-4,7H,5-6,8-9H2,1-2H3,(H2,18,20)(H,19,21)/t15-,16-/m0/s1 UMIHIDANPDUCCS-HOTGVXAUSA-N 190860 US9181236, 81x Beta-secretase 1 Homo sapiens 1522 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289770 316936134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341341 Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C21H23FN4O4S/c1-13-3-6-17(24-10-13)18(27)25-14-4-5-16(22)15(9-14)20(2)12-31(28,29)21(19(23)26-20)7-8-30-11-21/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,23,26)(H,25,27)/t20-,21-/m0/s1 ZAVXGISTYWSYFZ-SFTDATJTSA-N 190861 US9181236, 81y Beta-secretase 1 Homo sapiens 41 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289809 316936135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341342 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)S(C)(=O)=O)ccc1F InChI=1S/C21H23FN4O6S2/c1-20(12-34(30,31)21(19(23)26-20)7-8-32-11-21)15-9-13(3-5-16(15)22)25-18(27)17-6-4-14(10-24-17)33(2,28)29/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,23,26)(H,25,27)/t20-,21-/m0/s1 HHMXNQSEIIIPBO-SFTDATJTSA-N 190862 US9181236, 81z Beta-secretase 1 Homo sapiens 3166 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289764 316936136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341343 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C21H20F4N4O5S/c1-19(11-35(31,32)20(18(26)29-19)6-7-33-10-20)14-8-12(2-4-15(14)22)28-17(30)16-5-3-13(9-27-16)34-21(23,24)25/h2-5,8-9H,6-7,10-11H2,1H3,(H2,26,29)(H,28,30)/t19-,20-/m0/s1 ZCMIOPKZZRMFGC-PMACEKPBSA-N 190863 US9181236, 81aa Beta-secretase 1 Homo sapiens 304 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289810 316936137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341344 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1F InChI=1S/C21H20F4N4O4S/c1-19(11-34(31,32)20(18(26)29-19)6-8-33-10-20)14-9-12(4-5-15(14)22)28-17(30)16-13(21(23,24)25)3-2-7-27-16/h2-5,7,9H,6,8,10-11H2,1H3,(H2,26,29)(H,28,30)/t19-,20-/m0/s1 HWOJKEVXJPIYQA-PMACEKPBSA-N 190864 US9181236, 81ab Beta-secretase 1 Homo sapiens 146 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289811 316936138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341345 CC(F)(F)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C17H20F3N3O4S/c1-15(9-28(25,26)17(13(21)23-15)5-6-27-8-17)11-7-10(3-4-12(11)18)22-14(24)16(2,19)20/h3-4,7H,5-6,8-9H2,1-2H3,(H2,21,23)(H,22,24)/t15-,17-/m0/s1 NNOOPEWIEIHBTH-RDJZCZTQSA-N 190866 US9181236, 81ad Beta-secretase 1 Homo sapiens 313 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289765 316936139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341346 COc1ccc(nn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C20H22FN5O5S/c1-19(11-32(28,29)20(18(22)24-19)7-8-31-10-20)13-9-12(3-4-14(13)21)23-17(27)15-5-6-16(30-2)26-25-15/h3-6,9H,7-8,10-11H2,1-2H3,(H2,22,24)(H,23,27)/t19-,20-/m0/s1 NOISJAGMYGPVMN-PMACEKPBSA-N 190867 US9181236, 81ae Beta-secretase 1 Homo sapiens 904 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289845 316936140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341347 Cc1cc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 InChI=1S/C19H21FN4O5S/c1-11-7-15(24-29-11)16(25)22-12-3-4-14(20)13(8-12)18(2)10-30(26,27)19(17(21)23-18)5-6-28-9-19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,21,23)(H,22,25)/t18-,19-/m0/s1 NANBXYNQJCOJPZ-OALUTQOASA-N 190868 US9181236, 81af Beta-secretase 1 Homo sapiens 1334 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289802 316936141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341348 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2C#N)ccc1F InChI=1S/C21H19ClFN5O4S/c1-20(11-33(30,31)21(19(25)28-20)4-5-32-10-21)15-7-14(2-3-16(15)23)27-18(29)17-12(8-24)6-13(22)9-26-17/h2-3,6-7,9H,4-5,10-11H2,1H3,(H2,25,28)(H,27,29)/t20-,21-/m0/s1 QFEPQAYDRBVHMJ-SFTDATJTSA-N 190869 US9181236, 81ag Beta-secretase 1 Homo sapiens 5.7 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90289821 316936142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341349 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C13H16FN3O2S/c1-12(9-6-8(15)2-3-10(9)14)7-20(18,19)13(4-5-13)11(16)17-12/h2-3,6H,4-5,7,15H2,1H3,(H2,16,17)/t12-/m0/s1 KTPOWCHYJRYHCA-LBPRGKRZSA-N 190871 US9181236, Table A, 7 Beta-secretase 1 Homo sapiens 4900 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419828 316936143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341350 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(ccc1F)[N+]([O-])=O InChI=1S/C14H16FN3O4S/c1-13(10-7-9(18(19)20)3-4-11(10)15)8-23(21,22)14(5-2-6-14)12(16)17-13/h3-4,7H,2,5-6,8H2,1H3,(H2,16,17)/t13-/m0/s1 IZCTVCBOWSLGFL-ZDUSSCGKSA-N 190872 US9181236, Table A, 11 Beta-secretase 1 Homo sapiens 3630 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419880 316936144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341351 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C15H20FN3O2S/c1-14(11-8-10(17)4-5-12(11)16)9-22(20,21)15(13(18)19-14)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H2,18,19)/t14-/m0/s1 JNDSMEHECBJJHD-AWEZNQCLSA-N 190875 US9181236, Table A, 17 Beta-secretase 1 Homo sapiens 4126 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419817 316936147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341352 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C15H20FN3O3S/c1-14(11-8-10(17)2-3-12(11)16)9-23(20,21)15(13(18)19-14)4-6-22-7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H2,18,19)/t14-/m0/s1 YQALLQRXKKZOEZ-AWEZNQCLSA-N 190879 US9181236, Table A, 27 Beta-secretase 1 Homo sapiens 7015 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419829 316936149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341353 C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(Br)cc1Cl InChI=1S/C13H16BrClN2O2S2/c1-12(10-8(15)6-9(14)20-10)7-21(18,19)13(11(16)17-12)4-2-3-5-13/h6H,2-5,7H2,1H3,(H2,16,17)/t12-/m0/s1 GRAFXIWCUXYBKL-LBPRGKRZSA-N 190881 US9181236, Table A, 35 Beta-secretase 1 Homo sapiens 447 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419821 316936151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341354 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(Br)cc1Cl InChI=1S/C14H18BrClN2O2S2/c1-13(11-9(16)7-10(15)21-11)8-22(19,20)14(12(17)18-13)5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H2,17,18)/t13-/m0/s1 NOVZKGZTLQEKLU-ZDUSSCGKSA-N 190882 US9181236, Table A, 38 Beta-secretase 1 Homo sapiens 2611 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419884 316936152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341355 C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(Br)cc1Cl InChI=1S/C13H16BrClN2O3S2/c1-12(10-8(15)6-9(14)21-10)7-22(18,19)13(11(16)17-12)2-4-20-5-3-13/h6H,2-5,7H2,1H3,(H2,16,17)/t12-/m0/s1 BDXWFZLVSDHEQO-LBPRGKRZSA-N 190883 US9181236, Table A, 41 Beta-secretase 1 Homo sapiens 2367 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419849 316936153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341356 C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(Br)cc1Cl InChI=1S/C12H14BrClN2O2S2/c1-11(9-7(14)5-8(13)19-9)6-20(17,18)12(3-2-4-12)10(15)16-11/h5H,2-4,6H2,1H3,(H2,15,16)/t11-/m0/s1 BFFXPMHURKDIDG-NSHDSACASA-N 190884 US9181236, Table A, 44 Beta-secretase 1 Homo sapiens 1566 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419848 316936154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341357 C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(ccc1Cl)[N+]([O-])=O InChI=1S/C14H16ClN3O5S/c1-13(10-6-9(18(19)20)2-3-11(10)15)8-24(21,22)14(12(16)17-13)4-5-23-7-14/h2-3,6H,4-5,7-8H2,1H3,(H2,16,17)/t13-,14-/m0/s1 AQRLJLANHUYILO-KBPBESRZSA-N 190885 US9181236, Table A, 14-4 Beta-secretase 1 Homo sapiens 6692 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90287191 316936155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341358 C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(ccc1Cl)[N+]([O-])=O InChI=1S/C14H16ClN3O5S/c1-13(10-6-9(18(19)20)2-3-11(10)15)8-24(21,22)14(12(16)17-13)4-5-23-7-14/h2-3,6H,4-5,7-8H2,1H3,(H2,16,17)/t13-,14+/m0/s1 AQRLJLANHUYILO-UONOGXRCSA-N 190887 US9181236, Table A, 14-7 Beta-secretase 1 Homo sapiens 6120 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90287193 316936157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 341359 C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(Br)cc1Cl InChI=1S/C11H12BrClN2O2S2/c1-10(8-6(13)4-7(12)18-8)5-19(16,17)11(2-3-11)9(14)15-10/h4H,2-3,5H2,1H3,(H2,14,15)/t10-/m0/s1 ZNZPZRPWPPCIGM-JTQLQIEISA-N 190889 US9181236, Table A, 15-3 Beta-secretase 1 Homo sapiens 912 5 30.00 C US Patent 10.7270/Q2NC5ZZB aid1801854 US9181236 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Asberom, T; Bennett, C; Sasiskumar, TK; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=190889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=190889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89419818 316936159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354106 CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H17F2N5O4S/c1-25-17(21)24-18(9-29-8-15(18)30(25,27)28)12-6-11(3-4-13(12)20)23-16(26)14-5-2-10(19)7-22-14/h2-7,15H,8-9H2,1H3,(H2,21,24)(H,23,26)/t15-,18-/m1/s1 FEUVBQUAABZEJQ-CRAIPNDOSA-N 199087 US9221839, 1 Beta-secretase 1 Homo sapiens 13 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467927 318490063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354107 CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H17F2N5O4S/c1-25-17(21)24-18(9-29-8-15(18)30(25,27)28)12-6-11(3-4-13(12)20)23-16(26)14-5-2-10(19)7-22-14/h2-7,15H,8-9H2,1H3,(H2,21,24)(H,23,26)/t15-,18-/m0/s1 FEUVBQUAABZEJQ-YJBOKZPZSA-N 199089 US9221839, 1a Beta-secretase 1 Homo sapiens 3529 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467928 318490064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354108 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C19H20FN5O5S/c1-25-18(21)24-19(10-30-9-16(19)31(25,27)28)13-7-11(3-5-14(13)20)23-17(26)15-6-4-12(29-2)8-22-15/h3-8,16H,9-10H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1 DKOVCLRDSGGWRB-VQIMIIECSA-N 199093 US9221839, 3 Beta-secretase 1 Homo sapiens 18.18 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467930 318490065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354109 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]12COC[C@@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C19H20FN5O5S/c1-25-18(21)24-19(10-30-9-16(19)31(25,27)28)13-7-11(3-5-14(13)20)23-17(26)15-6-4-12(29-2)8-22-15/h3-8,16H,9-10H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m0/s1 DKOVCLRDSGGWRB-LPHOPBHVSA-N 199095 US9221839, 3a Beta-secretase 1 Homo sapiens 871.5 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467931 318490066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354110 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C18H19FN6O5S/c1-25-17(20)24-18(9-30-8-14(18)31(25,27)28)11-5-10(3-4-12(11)19)23-16(26)13-6-22-15(29-2)7-21-13/h3-7,14H,8-9H2,1-2H3,(H2,20,24)(H,23,26)/t14-,18-/m1/s1 XPCOWTWHHNDBJU-RDTXWAMCSA-N 199097 US9221839, 4 Beta-secretase 1 Homo sapiens 54.12 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71467932 318490067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354111 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]12COC[C@@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C18H19FN6O5S/c1-25-17(20)24-18(9-30-8-14(18)31(25,27)28)11-5-10(3-4-12(11)19)23-16(26)13-6-22-15(29-2)7-21-13/h3-7,14H,8-9H2,1-2H3,(H2,20,24)(H,23,26)/t14-,18-/m0/s1 XPCOWTWHHNDBJU-KSSFIOAISA-N 199099 US9221839, 4a Beta-secretase 1 Homo sapiens 1326 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468017 318490068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354112 CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O4S/c1-25-17(21)24-18(9-29-8-15(18)30(25,27)28)12-6-11(3-4-13(12)20)23-16(26)14-5-2-10(19)7-22-14/h2-7,15H,8-9H2,1H3,(H2,21,24)(H,23,26)/t15-,18-/m1/s1 UMTXXAYFIKSALN-CRAIPNDOSA-N 199101 US9221839, 5 Beta-secretase 1 Homo sapiens 5.07 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66551243 318490069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354113 CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O4S/c1-25-17(21)24-18(9-29-8-15(18)30(25,27)28)12-6-11(3-4-13(12)20)23-16(26)14-5-2-10(19)7-22-14/h2-7,15H,8-9H2,1H3,(H2,21,24)(H,23,26)/t15-,18-/m0/s1 UMTXXAYFIKSALN-YJBOKZPZSA-N 199103 US9221839, 5a Beta-secretase 1 Homo sapiens 197 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468018 318490070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354114 CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H17F4N5O4S/c1-28-17(24)27-18(9-32-8-15(18)33(28,30)31)12-6-11(3-4-13(12)20)26-16(29)14-5-2-10(7-25-14)19(21,22)23/h2-7,15H,8-9H2,1H3,(H2,24,27)(H,26,29)/t15-,18-/m1/s1 NWYYHVQOQPDKNW-CRAIPNDOSA-N 199105 US9221839, 6 Beta-secretase 1 Homo sapiens 9.79 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468019 318490071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354115 CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H17F4N5O4S/c1-28-17(24)27-18(9-32-8-15(18)33(28,30)31)12-6-11(3-4-13(12)20)26-16(29)14-5-2-10(7-25-14)19(21,22)23/h2-7,15H,8-9H2,1H3,(H2,24,27)(H,26,29)/t15-,18-/m0/s1 NWYYHVQOQPDKNW-YJBOKZPZSA-N 199107 US9221839, 6a Beta-secretase 1 Homo sapiens 354 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468020 318490072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354116 CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H17F3N6O4S/c1-27-17(22)26-18(8-31-7-14(18)32(27,29)30)10-4-9(2-3-11(10)19)25-16(28)13-6-23-12(5-24-13)15(20)21/h2-6,14-15H,7-8H2,1H3,(H2,22,26)(H,25,28)/t14-,18-/m1/s1 IQUBPELHSBAKON-RDTXWAMCSA-N 199109 US9221839, 6b Beta-secretase 1 Homo sapiens 27.2 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468021 318490073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354117 CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H17F3N6O4S/c1-27-17(22)26-18(8-31-7-14(18)32(27,29)30)10-4-9(2-3-11(10)19)25-16(28)13-6-23-12(5-24-13)15(20)21/h2-6,14-15H,7-8H2,1H3,(H2,22,26)(H,25,28)/t14-,18-/m0/s1 IQUBPELHSBAKON-KSSFIOAISA-N 199111 US9221839, 6c Beta-secretase 1 Homo sapiens 999 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468127 318490074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354118 CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C18H16F4N6O4S/c1-28-16(23)27-17(8-32-7-14(17)33(28,30)31)10-4-9(2-3-11(10)19)26-15(29)12-5-25-13(6-24-12)18(20,21)22/h2-6,14H,7-8H2,1H3,(H2,23,27)(H,26,29)/t14-,17-/m1/s1 XDAWJBFIMXHPID-RHSMWYFYSA-N 199113 US9221839, 6d Beta-secretase 1 Homo sapiens 28.4 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199113&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468128 318490075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354119 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(F)c1 InChI=1S/C19H19F2N5O5S/c1-26-18(22)25-19(9-31-8-15(19)32(26,28)29)12-5-10(3-4-13(12)20)24-17(27)16-14(21)6-11(30-2)7-23-16/h3-7,15H,8-9H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19-/m1/s1 LEHXYLCBOVXRTG-DNVCBOLYSA-N 199115 US9221839, 6e Beta-secretase 1 Homo sapiens 15.8 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468129 318490076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 354120 CN1C(=N)NC2(COCC2S1(=O)=O)c1ccccc1F InChI=1S/C12H14FN3O3S/c1-16-11(14)15-12(8-4-2-3-5-9(8)13)7-19-6-10(12)20(16,17)18/h2-5,10H,6-7H2,1H3,(H2,14,15) JEUWZBSZTAEEME-UHFFFAOYSA-N 199117 US9221839, 6f Beta-secretase 1 Homo sapiens 7846 5 30.00 C US Patent 10.7270/Q27D2SZR aid1802070 US9221839 Cumming, JN; Gilbert, EJ; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=199117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=199117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468130 318490077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50517954 CC[C@]1(C)CCC2=C1CC[C@H]1[C@H]2C[C@@H](Cl)C2=C[C@@H](O)[C@@H]3C[C@]12C(=O)O3 InChI=1S/C21H27ClO3/c1-3-20(2)7-6-11-12-8-16(22)15-9-17(23)18-10-21(15,19(24)25-18)14(12)5-4-13(11)20/h9,12,14,16-18,23H,3-8,10H2,1-2H3/t12-,14-,16+,17+,18-,20+,21-/m0/s1 GRGJZRKONMSMMM-FQRSPDSGSA-N 50190652 CHEMBL3937141 Beta-secretase 1 Homo sapiens 82000 ChEMBL 10.1021/acs.jnatprod.6b00042 10.7270/Q2RV0QMT 27104967 Dai, J; Yoshida, WY; Kelly, M; Williams, P University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134149181 375075567 CHEMBL3937141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358119 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cc1)c1ccc(F)cc1F InChI=1S/C19H17F3N2OS/c20-13-3-1-11(2-4-13)17-7-12-9-26-18(23)24-19(12,10-25-17)15-6-5-14(21)8-16(15)22/h1-6,8,12,17H,7,9-10H2,(H2,23,24)/t12-,17+,19-/m0/s1 WMCIURIGHRSLKW-WILYLXEWSA-N 202040 US9233981, 1 Beta-secretase 1 Homo sapiens 14 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320727 319495201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358120 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cccc(F)c1)c1ccc(F)cc1F InChI=1S/C19H17F3N2OS/c20-13-3-1-2-11(6-13)17-7-12-9-26-18(23)24-19(12,10-25-17)15-5-4-14(21)8-16(15)22/h1-6,8,12,17H,7,9-10H2,(H2,23,24)/t12-,17+,19-/m0/s1 PDMSCBPBNFMNCP-WILYLXEWSA-N 202041 US9233981, 2 Beta-secretase 1 Homo sapiens 22 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320728 319495202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358121 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1F)c1ccc(F)cc1F InChI=1S/C19H17F3N2OS/c20-12-5-6-14(16(22)8-12)19-10-25-17(13-3-1-2-4-15(13)21)7-11(19)9-26-18(23)24-19/h1-6,8,11,17H,7,9-10H2,(H2,23,24)/t11-,17+,19-/m0/s1 GNYNEASZTBNKNJ-JVMOKEISSA-N 202042 US9233981, 3 Beta-secretase 1 Homo sapiens 86 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320729 319495203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358122 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cc1F)c1ccc(F)cc1F InChI=1S/C19H16F4N2OS/c20-11-1-3-13(15(22)6-11)17-5-10-8-27-18(24)25-19(10,9-26-17)14-4-2-12(21)7-16(14)23/h1-4,6-7,10,17H,5,8-9H2,(H2,24,25)/t10-,17+,19-/m0/s1 VVSJLGZJUHEZGY-APTWFODQSA-N 202043 US9233981, 4 Beta-secretase 1 Homo sapiens 39 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320730 319495204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358123 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)c(F)c1)c1ccc(F)cc1F InChI=1S/C19H16F4N2OS/c20-12-2-3-13(15(22)7-12)19-9-26-17(6-11(19)8-27-18(24)25-19)10-1-4-14(21)16(23)5-10/h1-5,7,11,17H,6,8-9H2,(H2,24,25)/t11-,17+,19-/m0/s1 XJBRDDBFZPRIQW-JVMOKEISSA-N 202044 US9233981, 5 Beta-secretase 1 Homo sapiens 10 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320731 319495205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358124 Cc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H20F2N2OS/c1-12-2-4-13(5-3-12)18-8-14-10-26-19(23)24-20(14,11-25-18)16-7-6-15(21)9-17(16)22/h2-7,9,14,18H,8,10-11H2,1H3,(H2,23,24)/t14-,18+,20-/m0/s1 CGULNRCYZSHNDF-QMIHWGKISA-N 202045 US9233981, 6 Beta-secretase 1 Homo sapiens 24 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320732 319495206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358125 Cc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H20F2N2OS/c1-12-4-2-3-5-15(12)18-8-13-10-26-19(23)24-20(13,11-25-18)16-7-6-14(21)9-17(16)22/h2-7,9,13,18H,8,10-11H2,1H3,(H2,23,24)/t13-,18+,20-/m0/s1 OTDJOHYZIGHZSA-VIZZQPHQSA-N 202046 US9233981, 7 Beta-secretase 1 Homo sapiens 970 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321046 319495207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358126 Cc1cc(ccc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2OS/c1-11-6-12(2-5-16(11)22)18-7-13-9-27-19(24)25-20(13,10-26-18)15-4-3-14(21)8-17(15)23/h2-6,8,13,18H,7,9-10H2,1H3,(H2,24,25)/t13-,18+,20-/m0/s1 LJHXFHVTFPOYGI-VIZZQPHQSA-N 202047 US9233981, 8 Beta-secretase 1 Homo sapiens 6 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321047 319495208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358127 Cc1ccc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2OS/c1-11-2-3-12(6-16(11)22)18-7-13-9-27-19(24)25-20(13,10-26-18)15-5-4-14(21)8-17(15)23/h2-6,8,13,18H,7,9-10H2,1H3,(H2,24,25)/t13-,18+,20-/m0/s1 WVQYLZKUDPZBGT-VIZZQPHQSA-N 202048 US9233981, 9 Beta-secretase 1 Homo sapiens 13 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321048 319495209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358128 Cc1cc(F)cc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2OS/c1-11-4-12(6-15(22)5-11)18-7-13-9-27-19(24)25-20(13,10-26-18)16-3-2-14(21)8-17(16)23/h2-6,8,13,18H,7,9-10H2,1H3,(H2,24,25)/t13-,18+,20-/m0/s1 YJVGAKOUHBTUIV-VIZZQPHQSA-N 202049 US9233981, 10 Beta-secretase 1 Homo sapiens 16 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321049 319495210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358129 Cc1ccc(F)c(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2OS/c1-11-2-5-16(22)14(6-11)18-7-12-9-27-19(24)25-20(12,10-26-18)15-4-3-13(21)8-17(15)23/h2-6,8,12,18H,7,9-10H2,1H3,(H2,24,25)/t12-,18+,20-/m0/s1 AZLNLVTVQHHULX-UOXRKKOCSA-N 202050 US9233981, 11 Beta-secretase 1 Homo sapiens 21 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321050 319495211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358130 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(Cl)cc1)c1ccc(F)cc1F InChI=1S/C19H17ClF2N2OS/c20-13-3-1-11(2-4-13)17-7-12-9-26-18(23)24-19(12,10-25-17)15-6-5-14(21)8-16(15)22/h1-6,8,12,17H,7,9-10H2,(H2,23,24)/t12-,17+,19-/m0/s1 IOGGTIUSXRFVDN-WILYLXEWSA-N 202051 US9233981, 12 Beta-secretase 1 Homo sapiens 15 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321051 319495212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358131 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1C(F)(F)F)c1ccc(F)cc1F InChI=1S/C20H17F5N2OS/c21-12-5-6-15(16(22)8-12)19-10-28-17(7-11(19)9-29-18(26)27-19)13-3-1-2-4-14(13)20(23,24)25/h1-6,8,11,17H,7,9-10H2,(H2,26,27)/t11-,17+,19-/m0/s1 YMFQCZVMBYJBCZ-JVMOKEISSA-N 202052 US9233981, 13 Beta-secretase 1 Homo sapiens 97 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122362920 319495213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358132 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1OC(F)(F)F)c1ccc(F)cc1F InChI=1S/C20H17F5N2O2S/c21-12-5-6-14(15(22)8-12)19-10-28-17(7-11(19)9-30-18(26)27-19)13-3-1-2-4-16(13)29-20(23,24)25/h1-6,8,11,17H,7,9-10H2,(H2,26,27)/t11-,17+,19-/m0/s1 QTHUVEMVUWTNMD-JVMOKEISSA-N 202053 US9233981, 15 Beta-secretase 1 Homo sapiens 21 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122362921 319495214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358133 COc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H20F2N2O2S/c1-25-15-5-2-12(3-6-15)18-8-13-10-27-19(23)24-20(13,11-26-18)16-7-4-14(21)9-17(16)22/h2-7,9,13,18H,8,10-11H2,1H3,(H2,23,24)/t13-,18+,20-/m0/s1 WCAUWSLHBNTPAH-VIZZQPHQSA-N 202054 US9233981, 16 Beta-secretase 1 Homo sapiens 29 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321371 319495215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358134 COc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H20F2N2O2S/c1-25-17-5-3-2-4-14(17)18-8-12-10-27-19(23)24-20(12,11-26-18)15-7-6-13(21)9-16(15)22/h2-7,9,12,18H,8,10-11H2,1H3,(H2,23,24)/t12-,18+,20-/m0/s1 HGPSDSIQICAGTA-UOXRKKOCSA-N 202055 US9233981, 17 Beta-secretase 1 Homo sapiens 2212 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321373 319495216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358135 COc1cc(ccc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2O2S/c1-26-18-6-11(2-5-15(18)22)17-7-12-9-28-19(24)25-20(12,10-27-17)14-4-3-13(21)8-16(14)23/h2-6,8,12,17H,7,9-10H2,1H3,(H2,24,25)/t12-,17+,20-/m0/s1 TYJMNGKEIHXBJU-TUIFFPIZSA-N 202056 US9233981, 18 Beta-secretase 1 Homo sapiens 214 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321374 319495217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358136 COc1ccc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2O2S/c1-26-17-5-2-11(6-16(17)23)18-7-12-9-28-19(24)25-20(12,10-27-18)14-4-3-13(21)8-15(14)22/h2-6,8,12,18H,7,9-10H2,1H3,(H2,24,25)/t12-,18+,20-/m0/s1 UIJGGDNFINDZIZ-UOXRKKOCSA-N 202057 US9233981, 19 Beta-secretase 1 Homo sapiens 44 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321684 319495218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358137 COc1ccc([C@H]2C[C@H]3CSC(N)=N[C@]3(CO2)c2ccc(F)cc2F)c(F)c1 InChI=1S/C20H19F3N2O2S/c1-26-13-3-4-14(16(22)8-13)18-6-11-9-28-19(24)25-20(11,10-27-18)15-5-2-12(21)7-17(15)23/h2-5,7-8,11,18H,6,9-10H2,1H3,(H2,24,25)/t11-,18+,20-/m0/s1 MJAOPMBWEVMUPI-WLJAHRKQSA-N 202058 US9233981, 20 Beta-secretase 1 Homo sapiens 83 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321685 319495219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358138 COc1cc(F)cc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2O2S/c1-26-15-5-11(4-14(22)7-15)18-6-12-9-28-19(24)25-20(12,10-27-18)16-3-2-13(21)8-17(16)23/h2-5,7-8,12,18H,6,9-10H2,1H3,(H2,24,25)/t12-,18+,20-/m0/s1 KGZCBLRQLIBTRY-UOXRKKOCSA-N 202059 US9233981, 21 Beta-secretase 1 Homo sapiens 335 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321686 319495220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358139 COc1ccc(F)c(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C20H19F3N2O2S/c1-26-13-3-5-16(22)14(8-13)18-6-11-9-28-19(24)25-20(11,10-27-18)15-4-2-12(21)7-17(15)23/h2-5,7-8,11,18H,6,9-10H2,1H3,(H2,24,25)/t11-,18+,20-/m0/s1 TXVHVFNLLBOUJJ-WLJAHRKQSA-N 202060 US9233981, 22 Beta-secretase 1 Homo sapiens 397 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321687 319495221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358140 CCOc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C21H22F2N2O2S/c1-2-26-16-6-3-13(4-7-16)19-9-14-11-28-20(24)25-21(14,12-27-19)17-8-5-15(22)10-18(17)23/h3-8,10,14,19H,2,9,11-12H2,1H3,(H2,24,25)/t14-,19+,21-/m0/s1 MIVNMCXHMIRTSB-ZKYUUJBMSA-N 202061 US9233981, 23 Beta-secretase 1 Homo sapiens 11 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321688 319495222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358141 COCc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C21H22F2N2O2S/c1-26-10-13-2-4-14(5-3-13)19-8-15-11-28-20(24)25-21(15,12-27-19)17-7-6-16(22)9-18(17)23/h2-7,9,15,19H,8,10-12H2,1H3,(H2,24,25)/t15-,19+,21-/m0/s1 SJKMEKMTEIDREQ-DLVCFXQMSA-N 202062 US9233981, 24::US9233981, 25 Beta-secretase 1 Homo sapiens 161 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321987 319495223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358142 COCc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C21H22F2N2O2S/c1-26-10-13-2-4-14(5-3-13)19-8-15-11-28-20(24)25-21(15,12-27-19)17-7-6-16(22)9-18(17)23/h2-7,9,15,19H,8,10-12H2,1H3,(H2,24,25)/t15-,19+,21-/m0/s1 SJKMEKMTEIDREQ-DLVCFXQMSA-N 202062 US9233981, 24::US9233981, 25 Beta-secretase 1 Homo sapiens 22 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321987 319495223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358143 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2OCCc2c1)c1ccc(F)cc1F InChI=1S/C21H20F2N2O2S/c22-15-2-3-16(17(23)9-15)21-11-27-19(8-14(21)10-28-20(24)25-21)12-1-4-18-13(7-12)5-6-26-18/h1-4,7,9,14,19H,5-6,8,10-11H2,(H2,24,25)/t14-,19+,21-/m0/s1 LVYIZOZZLBROIC-ZKYUUJBMSA-N 202064 US9233981, 26 Beta-secretase 1 Homo sapiens 6 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77108130 319495224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358144 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2OCOc2c1)c1ccc(F)cc1F InChI=1S/C20H18F2N2O3S/c21-13-2-3-14(15(22)7-13)20-9-25-17(6-12(20)8-28-19(23)24-20)11-1-4-16-18(5-11)27-10-26-16/h1-5,7,12,17H,6,8-10H2,(H2,23,24)/t12-,17+,20-/m0/s1 XSZCWRBFBYRUFB-TUIFFPIZSA-N 202065 US9233981, 27 Beta-secretase 1 Homo sapiens 19 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321988 319495225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358145 COC(C)c1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C22H24F2N2O2S/c1-13(27-2)14-3-5-15(6-4-14)20-9-16-11-29-21(25)26-22(16,12-28-20)18-8-7-17(23)10-19(18)24/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H2,25,26)/t13?,16-,20+,22-/m0/s1 ATZNBIQCGKPLQY-ZAGDGSKXSA-N 202066 US9233981, 28 Beta-secretase 1 Homo sapiens 210 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321989 319495226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358146 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cccc(c1)C#N)c1ccc(F)cc1F InChI=1S/C20H17F2N3OS/c21-15-4-5-16(17(22)8-15)20-11-26-18(7-14(20)10-27-19(24)25-20)13-3-1-2-12(6-13)9-23/h1-6,8,14,18H,7,10-11H2,(H2,24,25)/t14-,18+,20-/m0/s1 WFBXQGMOCALTFM-QMIHWGKISA-N 202067 US9233981, 29 Beta-secretase 1 Homo sapiens 99 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321990 319495227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358147 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(cc1)C#N)c1ccc(F)cc1F InChI=1S/C20H17F2N3OS/c21-15-5-6-16(17(22)8-15)20-11-26-18(7-14(20)10-27-19(24)25-20)13-3-1-12(9-23)2-4-13/h1-6,8,14,18H,7,10-11H2,(H2,24,25)/t14-,18+,20-/m0/s1 VTJFHULENXXIAJ-QMIHWGKISA-N 202068 US9233981, 30 Beta-secretase 1 Homo sapiens 42 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90347083 319495228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358148 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(cc1)C(F)F)c1ccc(F)cc1F InChI=1S/C20H18F4N2OS/c21-14-5-6-15(16(22)8-14)20-10-27-17(7-13(20)9-28-19(25)26-20)11-1-3-12(4-2-11)18(23)24/h1-6,8,13,17-18H,7,9-10H2,(H2,25,26)/t13-,17+,20-/m0/s1 ZLRRMYNTUCHQJH-ZLXGRDSLSA-N 202069 US9233981, 31 Beta-secretase 1 Homo sapiens 28 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202069&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321991 319495229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358149 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ccc(F)cc1)c1ccc(F)cc1F InChI=1S/C20H19F3N2OS/c1-11-16-9-18(12-2-4-13(21)5-3-12)26-10-20(16,25-19(24)27-11)15-7-6-14(22)8-17(15)23/h2-8,11,16,18H,9-10H2,1H3,(H2,24,25)/t11-,16+,18-,20-/m1/s1 MSEDKPQAKAGATN-CMLRNZQRSA-N 202070 US9233981, 32 Beta-secretase 1 Homo sapiens 15 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118599424 319495230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358150 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ccc(cc1)C#N)c1ccc(F)cc1F InChI=1S/C21H19F2N3OS/c1-12-17-9-19(14-4-2-13(10-24)3-5-14)27-11-21(17,26-20(25)28-12)16-7-6-15(22)8-18(16)23/h2-8,12,17,19H,9,11H2,1H3,(H2,25,26)/t12-,17+,19-,21-/m1/s1 VDSKERCLBLSVBQ-XDGWSPEVSA-N 202071 US9233981, 33 Beta-secretase 1 Homo sapiens 11 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202071&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118599381 319495231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358151 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cccc(c1)C#N)c1ccc(F)cc1F InChI=1S/C21H19F2N3OS/c1-12-17-9-19(14-4-2-3-13(7-14)10-24)27-11-21(17,26-20(25)28-12)16-6-5-15(22)8-18(16)23/h2-8,12,17,19H,9,11H2,1H3,(H2,25,26)/t12-,17+,19-,21-/m1/s1 WLKLSAZSYORFOL-XDGWSPEVSA-N 202072 US9233981, 34 Beta-secretase 1 Homo sapiens 14 4.5 37.00 C US Patent 10.7270/Q26972DF aid1802130 US9233981 Brodney, MA; O'Neill, BT; Butler, CR; Beck, EM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118599392 319495232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359355 CC1(COCC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 InChI=1S/C18H20ClN3O/c1-18(12-23-11-17(20)22-18)14-3-2-4-16(9-14)21-10-13-5-7-15(19)8-6-13/h2-9,21H,10-12H2,1H3,(H2,20,22) AMUVGZZEIPOFNT-UHFFFAOYSA-N 202593 US9242943, 2 Beta-secretase 1 Homo sapiens 450 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520412 319495647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359356 CCCCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C15H22FN3O/c1-3-4-7-18-11-5-6-13(16)12(8-11)15(2)10-20-9-14(17)19-15/h5-6,8,18H,3-4,7,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1 FMVKCRWWNAQUEF-HNNXBMFYSA-N 202596 US9242943, 5 Beta-secretase 1 Homo sapiens 340 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520129 319495648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359357 CC(C)CCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C16H24FN3O/c1-11(2)6-7-19-12-4-5-14(17)13(8-12)16(3)10-21-9-15(18)20-16/h4-5,8,11,19H,6-7,9-10H2,1-3H3,(H2,18,20)/t16-/m0/s1 VGSIYGKAKNKCHH-INIZCTEOSA-N 202597 US9242943, 6 Beta-secretase 1 Homo sapiens 1360 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520044 319495649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359358 CC(C)C(C)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C16H24FN3O/c1-10(2)11(3)19-12-5-6-14(17)13(7-12)16(4)9-21-8-15(18)20-16/h5-7,10-11,19H,8-9H2,1-4H3,(H2,18,20)/t11?,16-/m0/s1 VEBDOPAMPGWBDV-NBFOKTCDSA-N 202599 US9242943, 8 Beta-secretase 1 Homo sapiens 2190 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57519958 319495650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359359 C[C@]1(COCC(N)=N1)c1cc(NCC(F)(F)F)ccc1F InChI=1S/C13H15F4N3O/c1-12(7-21-5-11(18)20-12)9-4-8(2-3-10(9)14)19-6-13(15,16)17/h2-4,19H,5-7H2,1H3,(H2,18,20)/t12-/m0/s1 FOMKAUKZKZNSRI-LBPRGKRZSA-N 202600 US9242943, 9 Beta-secretase 1 Homo sapiens 350 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57519960 319495651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359360 C[C@]1(COCC(N)=N1)c1cc(NCC(F)F)ccc1F InChI=1S/C13H16F3N3O/c1-13(7-20-6-12(17)19-13)9-4-8(2-3-10(9)14)18-5-11(15)16/h2-4,11,18H,5-7H2,1H3,(H2,17,19)/t13-/m0/s1 DSRMJUAEYUDBRT-ZDUSSCGKSA-N 202601 US9242943, 10 Beta-secretase 1 Homo sapiens 410 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520048 319495652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359361 C[C@]1(COCC(N)=N1)c1cc(NCCC(F)(F)F)ccc1F InChI=1S/C14H17F4N3O/c1-13(8-22-7-12(19)21-13)10-6-9(2-3-11(10)15)20-5-4-14(16,17)18/h2-3,6,20H,4-5,7-8H2,1H3,(H2,19,21)/t13-/m0/s1 YHBCCGYRJHZRIT-ZDUSSCGKSA-N 202603 US9242943, 12 Beta-secretase 1 Homo sapiens 1090 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520043 319495653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359362 CSCCCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C15H22FN3OS/c1-15(10-20-9-14(17)19-15)12-8-11(4-5-13(12)16)18-6-3-7-21-2/h4-5,8,18H,3,6-7,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1 HCGNKVLPKJMANG-HNNXBMFYSA-N 202604 US9242943, 13 Beta-secretase 1 Homo sapiens 310 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520042 319495654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359363 C[C@]1(COCC(N)=N1)c1cc(NC2CCC2)ccc1F InChI=1S/C15H20FN3O/c1-15(9-20-8-14(17)19-15)12-7-11(5-6-13(12)16)18-10-3-2-4-10/h5-7,10,18H,2-4,8-9H2,1H3,(H2,17,19)/t15-/m0/s1 KKLMFSIUUFHDAW-HNNXBMFYSA-N 202605 US9242943, 14 Beta-secretase 1 Homo sapiens 260 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520133 319495655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359364 C[C@]1(COCC(N)=N1)c1cc(NC2CCCC2)ccc1F InChI=1S/C16H22FN3O/c1-16(10-21-9-15(18)20-16)13-8-12(6-7-14(13)17)19-11-4-2-3-5-11/h6-8,11,19H,2-5,9-10H2,1H3,(H2,18,20)/t16-/m0/s1 SNBVGRNXFMZUNZ-INIZCTEOSA-N 202606 US9242943, 15 Beta-secretase 1 Homo sapiens 120 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520131 319495656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359365 C[C@]1(COCC(N)=N1)c1cc(NC2CCOC2)ccc1F InChI=1S/C15H20FN3O2/c1-15(9-21-8-14(17)19-15)12-6-10(2-3-13(12)16)18-11-4-5-20-7-11/h2-3,6,11,18H,4-5,7-9H2,1H3,(H2,17,19)/t11?,15-/m0/s1 IUECETKEUARTFS-MHTVFEQDSA-N 202609 US9242943, 18 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520135 319495657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359366 C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@@H]2O)ccc1F InChI=1S/C16H22FN3O2/c1-16(9-22-8-15(18)20-16)11-7-10(5-6-12(11)17)19-13-3-2-4-14(13)21/h5-7,13-14,19,21H,2-4,8-9H2,1H3,(H2,18,20)/t13-,14-,16-/m0/s1 RWCZTUDBYGQJTK-DZKIICNBSA-N 202610 US9242943, 19 Beta-secretase 1 Homo sapiens 1210 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57519957 319495658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359367 C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@H]2O)ccc1F InChI=1S/C16H22FN3O2/c1-16(9-22-8-15(18)20-16)11-7-10(5-6-12(11)17)19-13-3-2-4-14(13)21/h5-7,13-14,19,21H,2-4,8-9H2,1H3,(H2,18,20)/t13-,14+,16-/m0/s1 RWCZTUDBYGQJTK-LZWOXQAQSA-N 202611 US9242943, 20 Beta-secretase 1 Homo sapiens 610 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57519956 319495659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359368 C[C@]1(COCC(N)=N1)c1cc(NCC2CC2)ccc1F InChI=1S/C15H20FN3O/c1-15(9-20-8-14(17)19-15)12-6-11(4-5-13(12)16)18-7-10-2-3-10/h4-6,10,18H,2-3,7-9H2,1H3,(H2,17,19)/t15-/m0/s1 ORNNHNZPHILLPY-HNNXBMFYSA-N 202612 US9242943, 21 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68108170 319495660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359369 C[C@]1(COCC(N)=N1)c1cc(NC[C@H]2CCCO2)ccc1F InChI=1S/C16H22FN3O2/c1-16(10-21-9-15(18)20-16)13-7-11(4-5-14(13)17)19-8-12-3-2-6-22-12/h4-5,7,12,19H,2-3,6,8-10H2,1H3,(H2,18,20)/t12-,16+/m1/s1 FSAJCWVALVMAKW-WBMJQRKESA-N 202613 US9242943, 22 Beta-secretase 1 Homo sapiens 1110 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68107253 319495661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359370 CC(C)C(Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1)c1ccc(Cl)cn1 InChI=1S/C20H24ClFN4O/c1-12(2)19(17-7-4-13(21)9-24-17)25-14-5-6-16(22)15(8-14)20(3)11-27-10-18(23)26-20/h4-9,12,19,25H,10-11H2,1-3H3,(H2,23,26)/t19?,20-/m0/s1 XUDAQSPLHDYMTP-ANYOKISRSA-N 202614 US9242943, 23 Beta-secretase 1 Homo sapiens 3710 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520206 319495662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359371 CC1(COCC(N)=N1)c1cccc(Nc2cccc3cc(Cl)cnc23)c1 InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25) MISZEAYFRRVHET-UHFFFAOYSA-N 202615 US9242943, 24 Beta-secretase 1 Homo sapiens 250 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5T8 5F00 57520407 319495663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359372 C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)15-8-14(5-6-16(15)22)25-17-4-2-3-12-7-13(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)/t20-/m0/s1 QIANIVYIOVZEHV-FQEVSTJZSA-N 202617 US9242943, 26 Beta-secretase 1 Homo sapiens 160 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57412091 319495664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359373 C[C@]1(COCC(N)=N1)c1cc(Nc2cc(Cl)cc3cc(Cl)cnc23)ccc1F InChI=1S/C20H17Cl2FN4O/c1-20(10-28-9-18(24)27-20)15-7-14(2-3-16(15)23)26-17-6-12(21)4-11-5-13(22)8-25-19(11)17/h2-8,26H,9-10H2,1H3,(H2,24,27)/t20-/m0/s1 LBDVFEXBWOROJV-FQEVSTJZSA-N 202618 US9242943, 27 Beta-secretase 1 Homo sapiens 660 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520209 319495665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359374 C[C@]1(COCC(N)=N1)c1cc(Nc2cc(F)cc3cc(Cl)cnc23)ccc1F InChI=1S/C20H17ClF2N4O/c1-20(10-28-9-18(24)27-20)15-7-14(2-3-16(15)23)26-17-6-13(22)5-11-4-12(21)8-25-19(11)17/h2-8,26H,9-10H2,1H3,(H2,24,27)/t20-/m0/s1 QMXOUBXMBUQGFI-FQEVSTJZSA-N 202619 US9242943, 28 Beta-secretase 1 Homo sapiens 44 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520210 319495666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359375 C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OC(F)F)cnc23)ccc1F InChI=1S/C21H19F3N4O2/c1-21(11-29-10-18(25)28-21)15-8-13(5-6-16(15)22)27-17-4-2-3-12-7-14(30-20(23)24)9-26-19(12)17/h2-9,20,27H,10-11H2,1H3,(H2,25,28)/t21-/m0/s1 CHPYWNCYTLASBD-NRFANRHFSA-N 202620 US9242943, 29 Beta-secretase 1 Homo sapiens 270 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520305 319495667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359376 C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OCCF)cnc23)ccc1F InChI=1S/C22H22F2N4O2/c1-22(13-29-12-20(25)28-22)17-10-15(5-6-18(17)24)27-19-4-2-3-14-9-16(30-8-7-23)11-26-21(14)19/h2-6,9-11,27H,7-8,12-13H2,1H3,(H2,25,28)/t22-/m0/s1 BAKRUGCZKCVDEM-QFIPXVFZSA-N 202621 US9242943, 30 Beta-secretase 1 Homo sapiens 4770 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520306 319495668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359377 C[C@]1(COCC(N)=N1)c1cc(Nc2cc(F)cc3cc(OCC4CC4)cnc23)ccc1F InChI=1S/C24H24F2N4O2/c1-24(13-31-12-22(27)30-24)19-9-17(4-5-20(19)26)29-21-8-16(25)6-15-7-18(10-28-23(15)21)32-11-14-2-3-14/h4-10,14,29H,2-3,11-13H2,1H3,(H2,27,30)/t24-/m0/s1 HLTYVBBHDLMJQB-DEOSSOPVSA-N 202622 US9242943, 31 Beta-secretase 1 Homo sapiens 6900 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68108001 319495669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359378 C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OCC(F)(F)F)cnc23)ccc1F InChI=1S/C22H20F4N4O2/c1-21(11-31-10-19(27)30-21)16-8-14(5-6-17(16)23)29-18-4-2-3-13-7-15(9-28-20(13)18)32-12-22(24,25)26/h2-9,29H,10-12H2,1H3,(H2,27,30)/t21-/m0/s1 PEKTURXUQVGPEG-NRFANRHFSA-N 202623 US9242943, 32 Beta-secretase 1 Homo sapiens 2360 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520308 319495670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359379 C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F InChI=1S/C14H15FN4O2/c1-14(8-20-7-12(16)18-14)10-6-9(2-3-11(10)15)17-13-4-5-21-19-13/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,19)/t14-/m0/s1 QRXTWNWAFMAMIP-AWEZNQCLSA-N 202624 US9242943, 33 Beta-secretase 1 Homo sapiens 580 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520134 319495671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359380 Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12 InChI=1S/C19H19ClFN5O/c1-19(10-27-9-17(22)24-19)14-8-12(4-6-15(14)21)23-18-13-5-3-11(20)7-16(13)26(2)25-18/h3-8H,9-10H2,1-2H3,(H2,22,24)(H,23,25)/t19-/m1/s1 TWQFDPFLUOXDSO-LJQANCHMSA-N 202625 US9242943, 34 Beta-secretase 1 Homo sapiens 1040 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520208 319495672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359381 C[C@@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)ccc23)ccc1F InChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m1/s1 IVCFPJIINVIDFL-ROPPNANJSA-N 202626 US9242943, 35 Beta-secretase 1 Homo sapiens 100 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520516 319495673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359382 CC1(COCC(N)=N1)c1cccc(Nc2cc(F)cc3cc(Cl)cnc23)c1 InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)13-3-2-4-16(7-13)25-17-8-15(22)6-12-5-14(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26) WWCXRNBXEBTLSG-UHFFFAOYSA-N 202627 US9242943, 36 Beta-secretase 1 Homo sapiens 250 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520408 319495674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359383 CC1(COCC(N)=N1)c1cccc(NC2CCc3cc(Cl)ccc23)c1 InChI=1S/C20H22ClN3O/c1-20(12-25-11-19(22)24-20)14-3-2-4-16(10-14)23-18-8-5-13-9-15(21)6-7-17(13)18/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H2,22,24) BIQLWJAOBRCFDO-UHFFFAOYSA-N 202630 US9242943, 39 Beta-secretase 1 Homo sapiens 180 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520413 319495676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359384 C[C@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F InChI=1S/C19H20ClFN4O/c1-19(10-26-9-17(22)25-19)14-7-13(3-4-15(14)21)24-16-5-2-11-6-12(20)8-23-18(11)16/h3-4,6-8,16,24H,2,5,9-10H2,1H3,(H2,22,25)/t16?,19-/m0/s1 JQWLQZLXFFDJIN-CVMIBEPCSA-N 202631 US9242943, 40 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520619 319495677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359385 C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)F)ccc1F InChI=1S/C19H20F3N3O2/c1-19(11-26-10-18(23)25-19)13-8-12(6-7-14(13)20)24-15-4-2-3-5-16(15)27-9-17(21)22/h2-8,17,24H,9-11H2,1H3,(H2,23,25)/t19-/m0/s1 QNHDYGNNUMCCRR-IBGZPJMESA-N 202632 US9242943, 41 Beta-secretase 1 Homo sapiens 2140 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520207 319495678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359386 C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)(F)F)ccc1F InChI=1S/C19H19F4N3O2/c1-18(10-27-9-17(24)26-18)13-8-12(6-7-14(13)20)25-15-4-2-3-5-16(15)28-11-19(21,22)23/h2-8,25H,9-11H2,1H3,(H2,24,26)/t18-/m0/s1 AZHQHJIUMFMAEH-SFHVURJKSA-N 202633 US9242943, 42::US9242943, 43 Beta-secretase 1 Homo sapiens 5200 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520136 319495679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359387 C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)(F)F)ccc1F InChI=1S/C19H19F4N3O2/c1-18(10-27-9-17(24)26-18)13-8-12(6-7-14(13)20)25-15-4-2-3-5-16(15)28-11-19(21,22)23/h2-8,25H,9-11H2,1H3,(H2,24,26)/t18-/m0/s1 AZHQHJIUMFMAEH-SFHVURJKSA-N 202633 US9242943, 42::US9242943, 43 Beta-secretase 1 Homo sapiens 3200 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57520136 319495679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359388 CC1(COCC(N)=N1)c1cccc(Nc2ccccc2OC(F)F)c1 InChI=1S/C18H19F2N3O2/c1-18(11-24-10-16(21)23-18)12-5-4-6-13(9-12)22-14-7-2-3-8-15(14)25-17(19)20/h2-9,17,22H,10-11H2,1H3,(H2,21,23) IIOABHPKSLIUSW-UHFFFAOYSA-N 202635 US9242943, 44 Beta-secretase 1 Homo sapiens 890 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68107725 319495680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 359389 C[C@]1(COCC(N)=N1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H17ClF3N5O/c1-16(8-26-7-14(21)23-16)10-4-9(2-3-12(10)18)22-5-13-11(17)6-25(24-13)15(19)20/h2-4,6,15,22H,5,7-8H2,1H3,(H2,21,23)/t16-/m0/s1 UWJFBDWADBANMX-INIZCTEOSA-N 202636 US9242943, 45 Beta-secretase 1 Homo sapiens 17 US Patent 10.7270/Q2833QV5 aid1802154 US9242943 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H Siena Biotech SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68107850 319495681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358380 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C40H40ClN3O5/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49) SRHFLJYMGNBGDH-UHFFFAOYSA-N 202362 US9238626, (+/-)-(Ia) HCl Beta-secretase 1 Homo sapiens 980 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202362&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72549439 319495456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358381 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50) VZYCFKMNVCPCHV-UHFFFAOYSA-N 202363 US9238626, (+/-)-(Ib) HCl Beta-secretase 1 Homo sapiens 120 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72549440 319495457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358382 CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m0/s1 VZYCFKMNVCPCHV-SKCDSABHSA-N 202364 US9238626, (-)-(Ib) HCl Beta-secretase 1 Homo sapiens 80 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655194 319495458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358383 CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m1/s1 VZYCFKMNVCPCHV-IKOFQBKESA-N 202365 US9238626, (+)-(Ib) HCl Beta-secretase 1 Homo sapiens 80 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86276136 319495459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358384 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51) DYSVHEIIYHZJGH-UHFFFAOYSA-N 202366 US9238626, (+/-)-(Ic) HCl Beta-secretase 1 Homo sapiens 1190 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72549683 319495460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358385 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C43H46ClN3O5/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52) CTMZZPSVNCEBPA-UHFFFAOYSA-N 202367 US9238626, (+/-)-(Id) HCl Beta-secretase 1 Homo sapiens 1200 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655197 319495461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358386 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 InChI=1S/C40H32ClN3O5/c1-20-11-23-13-24(12-20)34-31(14-23)44-30-17-26(41)9-10-27(30)37(34)42-18-21-5-7-22(8-6-21)19-43-40(49)25-15-29-36(33(46)16-25)39(48)35-28(38(29)47)3-2-4-32(35)45/h2-11,15-17,23-24,45-46H,12-14,18-19H2,1H3,(H,42,44)(H,43,49) BMUWOXBZGNXOSU-UHFFFAOYSA-N 202368 US9238626, (+/-)-(Ie) HCl Beta-secretase 1 Homo sapiens 2020 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655199 319495462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358387 CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1 UKCBMHDZLYYTMI-WDEREUQCSA-N 50379273 CHEMBL1994202::US9238626, (-)-Huprine Y HCl Beta-secretase 1 Homo sapiens >5000 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6712920 160858356 CHEMBL1994202 ZINC06041665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 358388 CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m1/s1 UKCBMHDZLYYTMI-MNOVXSKESA-N 50379274 CHEMBL2011499::US9238626, (+)-Huprine Y HCl Beta-secretase 1 Homo sapiens >5000 25.00 C US Patent 10.7270/Q2T152FZ aid1802133 US9238626 Munoz-Torrero Lopez-Ibarra, D; Inestrosa Cantin, NM; Viayna Gaza, E; Sola Lao, I; Vazquez Cruz, S Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51026481 160858357 CHEMBL2011499 ZINC13835505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361786 CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24) ZKVKPYPCNDJJIH-UHFFFAOYSA-N 149772 US8975415, RP111::US8975415, RP52a::US9242973, RP111 Beta-secretase 1 Homo sapiens 140 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90016739 252159308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361787 CC#Cc1cncc(c1)-c1cc2c(OCC3(CC3)C22COC(N)=N2)cc1F InChI=1S/C21H18FN3O2/c1-2-3-13-6-14(10-24-9-13)15-7-16-18(8-17(15)22)26-11-20(4-5-20)21(16)12-27-19(23)25-21/h6-10H,4-5,11-12H2,1H3,(H2,23,25) GYSSPZTVUHYMLA-UHFFFAOYSA-N 149831 US8975415, RP112::US9242973, RP112 Beta-secretase 1 Homo sapiens 660 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246732 252159359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361788 CC#Cc1cncc(c1)-c1ccc2OCC3(CCC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H21N3O2/c1-2-4-15-9-17(12-24-11-15)16-5-6-19-18(10-16)22(14-27-20(23)25-22)21(13-26-19)7-3-8-21/h5-6,9-12H,3,7-8,13-14H2,1H3,(H2,23,25) KFPPUCOTYZKISY-UHFFFAOYSA-N 149832 US8975415, RP113::US9242973, RP113 Beta-secretase 1 Homo sapiens 470 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246733 252159360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361789 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C#N InChI=1S/C22H20N4O3/c23-10-17-15(3-1-8-25-17)14-4-5-18-16(9-14)22(13-28-19(24)26-22)20(11-27-12-20)21(29-18)6-2-7-21/h1,3-5,8-9H,2,6-7,11-13H2,(H2,24,26) UGLJAYTUNCDFRY-UHFFFAOYSA-N 149834 US8975415, RP115::US9242973, RP115 Beta-secretase 1 Homo sapiens 1100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025658 252159362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361790 Cc1cnc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H22FN3O3/c1-13-7-15(18(23)25-9-13)14-3-4-17-16(8-14)22(12-28-19(24)26-22)20(10-27-11-20)21(29-17)5-2-6-21/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,24,26) RUUFULDNAISCMR-UHFFFAOYSA-N 149835 US8975415, RP116::US9242973, RP116 Beta-secretase 1 Homo sapiens 700 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90026778 252159363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361791 Cc1ncncc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22N4O3/c1-13-15(8-23-12-24-13)14-3-4-17-16(7-14)21(11-27-18(22)25-21)19(9-26-10-19)20(28-17)5-2-6-20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,22,25) ZNEBJRVYFYIQSP-UHFFFAOYSA-N 149836 US8975415, RP117::US9242973, RP117 Beta-secretase 1 Homo sapiens 3000 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246734 252159364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361792 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)F InChI=1S/C22H21F2N3O3/c23-18(24)15-6-14(8-26-9-15)13-2-3-17-16(7-13)22(12-29-19(25)27-22)20(10-28-11-20)21(30-17)4-1-5-21/h2-3,6-9,18H,1,4-5,10-12H2,(H2,25,27) HSUAECWUMSPRSF-UHFFFAOYSA-N 149837 US8975415, RP118::US9242973, RP118 Beta-secretase 1 Homo sapiens 990 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056204 252159365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361793 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#N InChI=1S/C22H20N4O3/c23-8-14-6-16(10-25-9-14)15-2-3-18-17(7-15)22(13-28-19(24)26-22)20(11-27-12-20)21(29-18)4-1-5-21/h2-3,6-7,9-10H,1,4-5,11-13H2,(H2,24,26) CUTZXRZGKNKNJA-UHFFFAOYSA-N 149839 US8975415, RP120::US9242973, RP120 Beta-secretase 1 Homo sapiens 2300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056445 252159367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361794 COc1cc(c(F)cn1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H22FN3O4/c1-27-18-8-14(16(23)9-25-18)13-3-4-17-15(7-13)22(12-29-19(24)26-22)20(10-28-11-20)21(30-17)5-2-6-21/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,24,26) QBICDTPYZIJHTB-UHFFFAOYSA-N 149841 US8975415, RP122::US9242973, RP122 Beta-secretase 1 Homo sapiens 1100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056454 252159369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361795 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1 InChI=1S/C22H21FN2O3/c23-16-4-1-3-14(9-16)15-5-6-18-17(10-15)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)7-2-8-21/h1,3-6,9-10H,2,7-8,11-13H2,(H2,24,25) AORINRZTSWKVOX-UHFFFAOYSA-N 149844 US8975415, RP125::US9242973, RP125 Beta-secretase 1 Homo sapiens 580 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056447 252159372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361796 COc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24N2O4/c1-26-17-5-2-4-15(10-17)16-6-7-19-18(11-16)23(14-28-20(24)25-23)21(12-27-13-21)22(29-19)8-3-9-22/h2,4-7,10-11H,3,8-9,12-14H2,1H3,(H2,24,25) ICTGQWRYTVZEMV-UHFFFAOYSA-N 149845 US8975415, RP126::US9242973, RP126 Beta-secretase 1 Homo sapiens 1200 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056489 252159373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361797 Cc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24N2O3/c1-15-4-2-5-16(10-15)17-6-7-19-18(11-17)23(14-27-20(24)25-23)21(12-26-13-21)22(28-19)8-3-9-22/h2,4-7,10-11H,3,8-9,12-14H2,1H3,(H2,24,25) JSKKJULDTHCLMY-UHFFFAOYSA-N 149846 US8975415, RP127::US9242973, RP127 Beta-secretase 1 Homo sapiens 1800 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056455 252159374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361798 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(c1)C#N InChI=1S/C23H21N3O3/c24-11-15-3-1-4-16(9-15)17-5-6-19-18(10-17)23(14-28-20(25)26-23)21(12-27-13-21)22(29-19)7-2-8-22/h1,3-6,9-10H,2,7-8,12-14H2,(H2,25,26) OSDCIYPOSBDCJI-UHFFFAOYSA-N 149847 US8975415, RP128::US9242973, RP128 Beta-secretase 1 Homo sapiens 1500 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056490 252159375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361799 CCOc1cc(cc(c1)C(F)(F)F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C25H25F3N2O4/c1-2-32-18-9-16(8-17(11-18)25(26,27)28)15-4-5-20-19(10-15)24(14-33-21(29)30-24)22(12-31-13-22)23(34-20)6-3-7-23/h4-5,8-11H,2-3,6-7,12-14H2,1H3,(H2,29,30) NPVLNYWBAKGQLZ-UHFFFAOYSA-N 149848 US8975415, RP129::US9242973, RP129 Beta-secretase 1 Homo sapiens 7300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056448 252159376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361800 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(F)ccc1F InChI=1S/C22H20F2N2O3/c23-14-3-4-17(24)15(9-14)13-2-5-18-16(8-13)22(12-28-19(25)26-22)20(10-27-11-20)21(29-18)6-1-7-21/h2-5,8-9H,1,6-7,10-12H2,(H2,25,26) FJXRFMBYVGLNFX-UHFFFAOYSA-N 149849 US8975415, RP130::US9242973, RP130 Beta-secretase 1 Homo sapiens 1700 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056464 252159377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361801 CCOc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H26N2O4/c1-2-28-18-6-3-5-16(11-18)17-7-8-20-19(12-17)24(15-29-21(25)26-24)22(13-27-14-22)23(30-20)9-4-10-23/h3,5-8,11-12H,2,4,9-10,13-15H2,1H3,(H2,25,26) SRCMYQVGJCIJMT-UHFFFAOYSA-N 149850 US8975415, RP131::US9242973, RP131 Beta-secretase 1 Homo sapiens 3200 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246737 252159378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361802 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(\C=C\C#N)c1 InChI=1S/C25H23N3O3/c26-11-2-5-17-4-1-6-18(12-17)19-7-8-21-20(13-19)25(16-30-22(27)28-25)23(14-29-15-23)24(31-21)9-3-10-24/h1-2,4-8,12-13H,3,9-10,14-16H2,(H2,27,28)/b5-2+ HZHQWAJHXXVIFY-GORDUTHDSA-N 149851 US8975415, RP132::US9242973, RP132 Beta-secretase 1 Homo sapiens 1200 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056482 252159379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361803 CCOc1cc(F)cc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H25FN2O4/c1-2-29-18-9-16(8-17(25)11-18)15-4-5-20-19(10-15)24(14-30-21(26)27-24)22(12-28-13-22)23(31-20)6-3-7-23/h4-5,8-11H,2-3,6-7,12-14H2,1H3,(H2,26,27) UJFGYZLSPBPCBC-UHFFFAOYSA-N 149852 US8975415, RP133::US9242973, RP133 Beta-secretase 1 Homo sapiens 2800 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056483 252159380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361804 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)C1=CCCCC1 InChI=1S/C22H26N2O3/c23-19-24-22(14-26-19)17-11-16(15-5-2-1-3-6-15)7-8-18(17)27-21(9-4-10-21)20(22)12-25-13-20/h5,7-8,11H,1-4,6,9-10,12-14H2,(H2,23,24) GTVHCOSZWNNPFK-UHFFFAOYSA-N 149854 US8975415, RP135::US9242973, RP135 Beta-secretase 1 Homo sapiens 1800 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056485 252159382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361805 COc1ccc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23FN2O4/c1-27-15-4-5-18(24)16(10-15)14-3-6-19-17(9-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-19)7-2-8-22/h3-6,9-10H,2,7-8,11-13H2,1H3,(H2,25,26) DCFHBMJLBSTLIB-UHFFFAOYSA-N 149855 US8975415, RP136::US9242973, RP136 Beta-secretase 1 Homo sapiens 660 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025640 252159383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361806 COc1cccc(c1F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23FN2O4/c1-27-18-5-2-4-15(19(18)24)14-6-7-17-16(10-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-17)8-3-9-22/h2,4-7,10H,3,8-9,11-13H2,1H3,(H2,25,26) YWEZIZZHYAWWDG-UHFFFAOYSA-N 149856 US8975415, RP137::US9242973, RP137 Beta-secretase 1 Homo sapiens 830 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056475 252159384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361807 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1F InChI=1S/C22H20F2N2O3/c23-16-4-1-3-14(18(16)24)13-5-6-17-15(9-13)22(12-28-19(25)26-22)20(10-27-11-20)21(29-17)7-2-8-21/h1,3-6,9H,2,7-8,10-12H2,(H2,25,26) QSPCHUPRAPAASU-UHFFFAOYSA-N 149857 US8975415, RP138::US9242973, RP138 Beta-secretase 1 Homo sapiens 1500 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056486 252159385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361808 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(Cl)c1 InChI=1S/C21H21ClN2O3/c1-19(2)20(10-25-11-20)21(12-26-18(23)24-21)16-9-14(6-7-17(16)27-19)13-4-3-5-15(22)8-13/h3-9H,10-12H2,1-2H3,(H2,23,24) ZEAMOJNDSBWBMU-UHFFFAOYSA-N 149858 US8975415, RP139::US9242973, RP139 Beta-secretase 1 Homo sapiens 140 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056476 252159386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361809 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1 InChI=1S/C24H26N2O3/c1-22(2)23(12-27-13-23)24(14-28-21(25)26-24)19-11-18(8-9-20(19)29-22)17-5-3-4-16(10-17)15-6-7-15/h3-5,8-11,15H,6-7,12-14H2,1-2H3,(H2,25,26) UKEAETWEXZCSQW-UHFFFAOYSA-N 149859 US8975415, RP140::US9242973, RP140 Beta-secretase 1 Homo sapiens 410 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056491 252159387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361810 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C(F)(F)F InChI=1S/C22H21F3N2O3/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)30-19)13-4-3-5-15(8-13)22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) LRUHIAIIFSMMGU-UHFFFAOYSA-N 149860 US8975415, RP141::US9242973, RP141 Beta-secretase 1 Homo sapiens 1300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056456 252159388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361811 COc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H24N2O4/c1-20(2)21(11-26-12-21)22(13-27-19(23)24-22)17-10-15(7-8-18(17)28-20)14-5-4-6-16(9-14)25-3/h4-10H,11-13H2,1-3H3,(H2,23,24) NTYCQRSCQKAIKY-UHFFFAOYSA-N 149861 US8975415, RP142::US9242973, RP142 Beta-secretase 1 Homo sapiens 150 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246736 252159389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361812 CCOc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H26N2O4/c1-4-27-17-7-5-6-15(10-17)16-8-9-19-18(11-16)23(14-28-20(24)25-23)22(12-26-13-22)21(2,3)29-19/h5-11H,4,12-14H2,1-3H3,(H2,24,25) NKMRFFYBJGWRSX-UHFFFAOYSA-N 149863 US8975415, RP144::US9242973, RP144 Beta-secretase 1 Homo sapiens 460 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056465 252159391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361813 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25) VELBUBIDIGYSLN-UHFFFAOYSA-N 149865 US8975415, RP146::US9242973, RP146 Beta-secretase 1 Homo sapiens 210 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724313 252159393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361814 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(F)c1 InChI=1S/C21H20F2N2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25) GXWZNDMKCKULNS-UHFFFAOYSA-N 149866 US8975415, RP147::US9242973, RP147 Beta-secretase 1 Homo sapiens 170 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056466 252159394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361815 Cc1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23FN2O3/c1-13-6-15(8-16(23)7-13)14-4-5-18-17(9-14)22(12-27-19(24)25-22)21(10-26-11-21)20(2,3)28-18/h4-9H,10-12H2,1-3H3,(H2,24,25) MHGCEQNGZDTCOC-UHFFFAOYSA-N 149867 US8975415, RP148::US9242973, RP148 Beta-secretase 1 Homo sapiens 480 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056487 252159395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361816 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ccn1 InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-7-12(3-4-16(14)27-18)15-8-13(21)5-6-23-15/h3-8H,9-11H2,1-2H3,(H2,22,24) UNACISPQELMJNE-UHFFFAOYSA-N 149868 US8975415, RP149::US9242973, RP149 Beta-secretase 1 Homo sapiens 1100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056467 252159396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361817 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)n1 InChI=1S/C19H19ClN4O3/c1-17(2)18(8-25-9-18)19(10-26-16(21)24-19)12-5-11(3-4-14(12)27-17)13-6-22-7-15(20)23-13/h3-7H,8-10H2,1-2H3,(H2,21,24) ZRRKOIHRTBFWMQ-UHFFFAOYSA-N 149869 US8975415, RP150::US9242973, RP150 Beta-secretase 1 Homo sapiens 450 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056468 252159397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361818 Cc1cnc(Cl)c(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O3/c1-12-6-14(17(22)24-8-12)13-4-5-16-15(7-13)21(11-27-18(23)25-21)20(9-26-10-20)19(2,3)28-16/h4-8H,9-11H2,1-3H3,(H2,23,25) IEPVAYLEYUWVFH-UHFFFAOYSA-N 149870 US8975415, RP151::US9242973, RP151 Beta-secretase 1 Homo sapiens 280 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246739 252159398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361819 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1Cl InChI=1S/C20H19Cl2N3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25) HCRMCIFUVDVQDP-UHFFFAOYSA-N 149871 US8975415, RP152::US9242973, RP152 Beta-secretase 1 Homo sapiens 110 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246740 252159399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361820 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cnc1Cl InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(22)7-24-16(13)21/h3-7H,8-10H2,1-2H3,(H2,23,25) NXVWQPVBYKAMTH-UHFFFAOYSA-N 149872 US8975415, RP153::US9242973, RP153 Beta-secretase 1 Homo sapiens 130 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246741 252159400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361821 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25) GETMSLAWJGDJFJ-UHFFFAOYSA-N 149873 US8975415, RP154::US9242973, RP154 Beta-secretase 1 Homo sapiens 32 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056479 252159401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361822 COc1ncc(Cl)cc1-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)15-6-12(4-5-16(15)29-19)14-7-13(22)8-24-17(14)26-3/h4-8H,9-11H2,1-3H3,(H2,23,25) SBSSYSBKPBOHJP-UHFFFAOYSA-N 149874 US8975415, RP155::US9242973, RP155 Beta-secretase 1 Homo sapiens 630 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056470 252159402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361823 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1Cl InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24) JMVWCLLKZHGJJD-UHFFFAOYSA-N 149875 US8975415, RP156::US9242973, RP156 Beta-secretase 1 Homo sapiens 180 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246742 252159403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361824 Cc1cc(cnc1F)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22FN3O3/c1-12-6-14(8-24-17(12)22)13-4-5-16-15(7-13)21(11-27-18(23)25-21)20(9-26-10-20)19(2,3)28-16/h4-8H,9-11H2,1-3H3,(H2,23,25) GHRVXMFUXOXBGC-UHFFFAOYSA-N 149876 US8975415, RP157::US9242973, RP157 Beta-secretase 1 Homo sapiens 660 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246743 252159404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361825 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ncc1Cl InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)13-5-11(3-4-15(13)28-18)12-6-16(22)24-7-14(12)21/h3-7H,8-10H2,1-2H3,(H2,23,25) OGBRXVOOYQIKKV-UHFFFAOYSA-N 149877 US8975415, RP158::US9242973, RP158 Beta-secretase 1 Homo sapiens 370 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054974 252159405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361826 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cnc2[nH]ccc2c1 149887 US8975415, RP168::US9242973, RP168 Beta-secretase 1 Homo sapiens 310 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248935 252159415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361827 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(O)cc(F)c1 InChI=1S/C21H21FN2O4/c1-19(2)20(9-26-10-20)21(11-27-18(23)24-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(25)6-13/h3-8,25H,9-11H2,1-2H3,(H2,23,24) XLOPHQHRSBOSNE-UHFFFAOYSA-N 149888 US8975415, RP169::US9242973, RP169 Beta-secretase 1 Homo sapiens 900 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054977 252159416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361828 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(ccc1F)C#N InChI=1S/C22H20FN3O3/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-8-14(4-6-18(16)29-20)15-7-13(9-24)3-5-17(15)23/h3-8H,10-12H2,1-2H3,(H2,25,26) GSTHBYLKRBWKOI-UHFFFAOYSA-N 149889 US8975415, RP170::US9242973, RP170 Beta-secretase 1 Homo sapiens 400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054972 252159417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361829 CNC(=O)c1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24FN3O4/c1-21(2)22(10-29-11-22)23(12-30-20(25)27-23)17-9-13(4-5-18(17)31-21)14-6-15(19(28)26-3)8-16(24)7-14/h4-9H,10-12H2,1-3H3,(H2,25,27)(H,26,28) UQPAONODJFHYMD-UHFFFAOYSA-N 149890 US8975415, RP171::US9242973, RP171 Beta-secretase 1 Homo sapiens 3100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055976 252159418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361830 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)15-6-12(3-4-16(15)27-18)13-5-14(21)8-23-7-13/h3-8H,9-11H2,1-2H3,(H2,22,24) SVHNMBSDZDNXOE-UHFFFAOYSA-N 149892 US8975415, RP173::US9242973, RP173 Beta-secretase 1 Homo sapiens 73 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055977 252159420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361831 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ccc2c1 149893 US8975415, RP174::US9242973, RP174 Beta-secretase 1 Homo sapiens 3400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724314 252159421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361832 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ncc12 149895 US8975415, RP176::US9242973, RP176 Beta-secretase 1 Homo sapiens 850 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055965 252159423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361833 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ncc2c1 149896 US8975415, RP177::US9242973, RP177 Beta-secretase 1 Homo sapiens 1500 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055966 252159424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361834 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2nonc2c1 InChI=1S/C21H20N4O4/c1-19(2)20(9-26-10-20)21(11-27-18(22)23-21)14-7-12(4-6-17(14)28-19)13-3-5-15-16(8-13)25-29-24-15/h3-8H,9-11H2,1-2H3,(H2,22,23) PKUHVJVJHBYAMJ-UHFFFAOYSA-N 149897 US8975415, RP178::US9242973, RP178 Beta-secretase 1 Homo sapiens 810 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055967 252159425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361835 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cccnc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)18-11-16(8-9-19(18)30-22)17-7-3-5-15-6-4-10-26-20(15)17/h3-11H,12-14H2,1-2H3,(H2,25,27) VJBWMBRNRXJSBA-UHFFFAOYSA-N 149898 US8975415, RP179::US9242973, RP179 Beta-secretase 1 Homo sapiens 1400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056005 252159426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361836 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cnccc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)19-10-15(6-7-20(19)30-22)17-5-3-4-16-11-26-9-8-18(16)17/h3-11H,12-14H2,1-2H3,(H2,25,27) BKDQSRMNJPVQTC-UHFFFAOYSA-N 149899 US8975415, RP180::US9242973, RP180 Beta-secretase 1 Homo sapiens 490 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246747 252159427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361837 COC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H24N2O4/c1-17(2)18(10-23-11-18)19(12-24-16(20)21-19)14-9-13(5-4-8-22-3)6-7-15(14)25-17/h4-7,9H,8,10-12H2,1-3H3,(H2,20,21)/b5-4+ INLZNNXNRQPRBS-SNAWJCMRSA-N 149900 US8975415, RP181::US9242973, RP181 Beta-secretase 1 Homo sapiens 820 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246748 252159428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361838 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2OCOc2c1 InChI=1S/C22H22N2O5/c1-20(2)21(9-25-10-21)22(11-26-19(23)24-22)15-7-13(3-5-16(15)29-20)14-4-6-17-18(8-14)28-12-27-17/h3-8H,9-12H2,1-2H3,(H2,23,24) WDLWOGRZCRSSNH-UHFFFAOYSA-N 149901 US8975415, RP182::US9242973, RP182 Beta-secretase 1 Homo sapiens 2500 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055993 252159429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361839 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1c(F)ccc(F)c1F InChI=1S/C21H19F3N2O3/c1-19(2)20(8-27-9-20)21(10-28-18(25)26-21)12-7-11(3-6-15(12)29-19)16-13(22)4-5-14(23)17(16)24/h3-7H,8-10H2,1-2H3,(H2,25,26) MDDVTIQXTKOMRK-UHFFFAOYSA-N 149904 US8975415, RP185::US9242973, RP185 Beta-secretase 1 Homo sapiens 760 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056333 252159432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361840 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 InChI=1S/C18H16BrN5O3/c19-10-6-21-14(22-7-10)15(25)23-11-1-2-13-12(5-11)18(9-27-16(20)24-18)17(3-4-17)8-26-13/h1-2,5-7H,3-4,8-9H2,(H2,20,24)(H,23,25) RUPHOSKJXJYHAD-UHFFFAOYSA-N 149908 US8975415, RP189::US9242973, RP189 Beta-secretase 1 Homo sapiens 43 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056336 252159436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361841 CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C20H20BrN5O4/c1-18(2)19(8-28-9-19)20(10-29-17(22)26-20)13-5-12(3-4-14(13)30-18)25-16(27)15-23-6-11(21)7-24-15/h3-7H,8-10H2,1-2H3,(H2,22,26)(H,25,27) OKNLKKUCXCACGI-UHFFFAOYSA-N 149909 US8975415, RP190::US9242973, 190 Beta-secretase 1 Homo sapiens 4.1 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025105 252159437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361842 Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N InChI=1S/C21H19N5O3/c1-12-6-13(8-22)9-24-17(12)18(27)25-14-2-3-16-15(7-14)21(11-29-19(23)26-21)20(4-5-20)10-28-16/h2-3,6-7,9H,4-5,10-11H2,1H3,(H2,23,26)(H,25,27) LUKKVICWYPMUPG-UHFFFAOYSA-N 149910 US8975415, RP191::US9242973, RP191 Beta-secretase 1 Homo sapiens 27 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248978 252159438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361843 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1 InChI=1S/C20H16ClN5O3/c21-14-5-11(7-22)8-24-16(14)17(27)25-12-1-2-15-13(6-12)20(10-29-18(23)26-20)19(3-4-19)9-28-15/h1-2,5-6,8H,3-4,9-10H2,(H2,23,26)(H,25,27) OBYNGUKQVYJXLG-UHFFFAOYSA-N 149911 US8975415, RP192::US9242973, RP192 Beta-secretase 1 Homo sapiens 30 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248994 252159439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361844 COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25) IPNOFVHQRLOFQU-UHFFFAOYSA-N 149912 US8975415, RP193::US9242973, RP193 Beta-secretase 1 Homo sapiens 81 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056104 252159440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361845 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H19ClN4O3/c1-11-6-12(21)8-23-16(11)17(26)24-13-2-3-15-14(7-13)20(10-28-18(22)25-20)19(4-5-19)9-27-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,22,25)(H,24,26) UGPKGDXAPPRVIR-UHFFFAOYSA-N 149913 US8975415, RP194::US9242973, RP194 Beta-secretase 1 Homo sapiens 28 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056343 252159441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361846 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23ClN4O4/c1-12-6-13(23)8-25-17(12)18(28)26-14-4-5-16-15(7-14)22(11-30-19(24)27-22)21(9-29-10-21)20(2,3)31-16/h4-8H,9-11H2,1-3H3,(H2,24,27)(H,26,28) WTTPTTMLIGTSRC-UHFFFAOYSA-N 149914 US8975415, RP195::US9242973, 195 Beta-secretase 1 Homo sapiens 3.2 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548944 252159442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361847 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1 InChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26) FCSDLAQZROWWFP-UHFFFAOYSA-N 149915 US8975415, RP196::US9242973, RP196 Beta-secretase 1 Homo sapiens 53 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248997 252159443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361848 CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)15-7-14(4-6-17(15)31-20)26-18(28)16-5-3-13(8-23)9-25-16/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28) GPWZMCGYHYETLO-UHFFFAOYSA-N 149916 US8975415, RP197::US9242973, 197 Beta-secretase 1 Homo sapiens 5.7 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548945 252159444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361849 NC1=NC2(c3cccc(F)c13)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C22H17FN4O/c23-17-3-1-2-15-19(17)20(24)27-22(15)16-8-13(14-9-25-12-26-10-14)4-5-18(16)28-11-21(22)6-7-21/h1-5,8-10,12H,6-7,11H2,(H2,24,27) LEFCQXUNQUOKDG-UHFFFAOYSA-N 149918 US8975415, RP199::US9242973, RP199 Beta-secretase 1 Homo sapiens 240 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056126 252159446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361850 NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28) STMXAUVFLJMWDN-UHFFFAOYSA-N 149919 US8975415, RP200::US8975415, RP202::US9242973, RP202 Beta-secretase 1 Homo sapiens 26 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246750 252159447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361851 CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31) UZRCBYZWOAYXCE-UHFFFAOYSA-N 149920 US8975415, RP201::US8975415, RP203::US9242973, RP203 Beta-secretase 1 Homo sapiens 8.7 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056157 252159448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361852 NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28) STMXAUVFLJMWDN-UHFFFAOYSA-N 149919 US8975415, RP200::US8975415, RP202::US9242973, RP202 Beta-secretase 1 Homo sapiens 26 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246750 252159447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361853 CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31) UZRCBYZWOAYXCE-UHFFFAOYSA-N 149920 US8975415, RP201::US8975415, RP203::US9242973, RP203 Beta-secretase 1 Homo sapiens 4.9 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056157 252159448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361854 NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25) MSVXPEWIJQOLDG-UHFFFAOYSA-N 149923 US8975415, RP204::US8975415, RP207::US9242973, RP207 Beta-secretase 1 Homo sapiens 240 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246751 252159449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361855 CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C25H25N3O3/c1-2-3-17-8-19(12-27-11-17)18-6-7-21-20(10-18)25(15-30-23(26)28-25)24(13-29-14-24)22(31-21)9-16-4-5-16/h6-8,10-12,16,22H,4-5,9,13-15H2,1H3,(H2,26,28) KJZOKUPYIWIFKS-UHFFFAOYSA-N 149924 US8975415, RP205::US9242973, RP205 Beta-secretase 1 Homo sapiens 22 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056128 252159450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361856 NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CO1 InChI=1S/C18H16F2N4O2/c19-17(20)9-26-15(21)24-18(17)13-5-11(12-6-22-10-23-7-12)1-2-14(13)25-8-16(18)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,21,24) QZZCXMLMCPDROH-UHFFFAOYSA-N 149925 US8975415, RP206::US9242973, RP206 Beta-secretase 1 Homo sapiens >30000 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056130 252159451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361857 NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25) MSVXPEWIJQOLDG-UHFFFAOYSA-N 149923 US8975415, RP204::US8975415, RP207::US9242973, RP207 Beta-secretase 1 Homo sapiens 160 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246751 252159449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361858 NC1=NC2(CO1)c1cc(ccc1OCC21CC(F)(F)C1)-c1cncnc1 InChI=1S/C18H16F2N4O2/c19-17(20)6-16(7-17)8-25-14-2-1-11(12-4-22-10-23-5-12)3-13(14)18(16)9-26-15(21)24-18/h1-5,10H,6-9H2,(H2,21,24) IBQLKXDWVJSRDU-UHFFFAOYSA-N 149927 US8975415, RP208::US9242973, RP208 Beta-secretase 1 Homo sapiens 6100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056127 252159452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361859 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1 InChI=1S/C21H21N3O3/c22-18-24-21(13-26-18)16-9-14(15-3-1-8-23-10-15)4-5-17(16)27-20(6-2-7-20)19(21)11-25-12-19/h1,3-5,8-10H,2,6-7,11-13H2,(H2,22,24) MJGALTWQDCBMQD-UHFFFAOYSA-N 149928 US8975415, RP209::US9242973, RP209 Beta-secretase 1 Homo sapiens 830 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056129 252159453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361860 Cn1cc2cc(ccc2n1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H20N4O2/c1-25-10-15-8-13(2-4-17(15)24-25)14-3-5-18-16(9-14)21(12-27-19(22)23-21)20(6-7-20)11-26-18/h2-5,8-10H,6-7,11-12H2,1H3,(H2,22,23) LYIYOHNNHUSMFQ-UHFFFAOYSA-N 149932 US8975415, RP213::US9242973, RP213 Beta-secretase 1 Homo sapiens 6300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056496 252159457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361861 NC1=NC2(COC1)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C18H18N4O2/c19-16-8-23-10-18(22-16)14-5-12(13-6-20-11-21-7-13)1-2-15(14)24-9-17(18)3-4-17/h1-2,5-7,11H,3-4,8-10H2,(H2,19,22) AMQPJZMLPSZGED-UHFFFAOYSA-N 149934 US8975415, RP215::US9242973, RP215 Beta-secretase 1 Homo sapiens 240 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025994 252159459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361862 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 INWIVMOTHPFWNU-NRFANRHFSA-N 149936 US8975415, 218::US9242973, 218 Beta-secretase 1 Homo sapiens 0.78 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72202470 252159461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361863 CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 CWCLNAMDVBTHAU-NRFANRHFSA-N 149937 US8975415, 219::US9242973, 219 Beta-secretase 1 Homo sapiens 2.2 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90236720 252159462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361864 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1 WZWNQLAVZZUSHH-NRFANRHFSA-N 149938 US8975415, 220::US9242973, 220 Beta-secretase 1 Homo sapiens 3.1 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548948 252159463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361865 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21ClN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 SUARPGUFOBBSJS-NRFANRHFSA-N 149939 US8975415, 221::US9242973, 221 Beta-secretase 1 Homo sapiens 0.16 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056502 252159464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361866 CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 KFVQLLMGMYDUOM-NRFANRHFSA-N 149940 US8975415, 222::US9242973, 222 Beta-secretase 1 Homo sapiens 0.62 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056497 252159465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361867 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O4/c1-19(2)20(6-7-20)21(11-29-18(22)26-21)13-8-12(4-5-15(13)30-19)25-17(27)14-9-24-16(28-3)10-23-14/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1 FVLGCKAZTKQUNT-NRFANRHFSA-N 149941 US8975415, 223::US9242973, 223 Beta-secretase 1 Homo sapiens 3.1 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724317 252159466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361868 CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1 UUOAKQJQRFDOFS-NRFANRHFSA-N 149942 US8975415, 224::US9242973, 224 Beta-secretase 1 Homo sapiens 0.63 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724318 252159467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361869 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27) WZWNQLAVZZUSHH-UHFFFAOYSA-N 149943 US8975415, 227::US9242973, 227 Beta-secretase 1 Homo sapiens 8 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724320 252159468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361458 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1 InChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17) XPMGWHVEGYGUIQ-UHFFFAOYSA-N 149714 US8975415, RP1a::US8975415, RP1b::US9242973, RP1b Beta-secretase 1 Homo sapiens 73300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724291 252159259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361459 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1 InChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17) XPMGWHVEGYGUIQ-UHFFFAOYSA-N 149714 US8975415, RP1a::US8975415, RP1b::US9242973, RP1b Beta-secretase 1 Homo sapiens 138000 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724291 252159259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361460 NC1=NC2(CO1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C13H13BrN2O3/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16) LUQRVIKCMJFRLZ-UHFFFAOYSA-N 149716 US8975415, RP2::US9242973, RP2 Beta-secretase 1 Homo sapiens 59600 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724312 252159260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361461 NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 InChI=1S/C16H17BrN2O3/c17-10-2-3-12-11(6-10)16(9-21-13(18)19-16)14(7-20-8-14)15(22-12)4-1-5-15/h2-3,6H,1,4-5,7-9H2,(H2,18,19) RUGHZTZOMNIPQG-UHFFFAOYSA-N 149717 US8975415, RP3::US9242973, RP3 Beta-secretase 1 Homo sapiens 33800 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056000 252159261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361462 COCc1cnn(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H24N4O4/c1-26-10-14-8-23-25(9-14)15-3-4-17-16(7-15)21(13-28-18(22)24-21)19(11-27-12-19)20(29-17)5-2-6-20/h3-4,7-9H,2,5-6,10-13H2,1H3,(H2,22,24) NRTIHHVWKLDASP-UHFFFAOYSA-N 149718 US8975415, RP4::US9242973, RP4 Beta-secretase 1 Homo sapiens 12600 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055955 252159262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361463 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-17-24-20(11-26-17)15-6-13(14-7-22-12-23-8-14)2-3-16(15)27-19(4-1-5-19)18(20)9-25-10-18/h2-3,6-8,12H,1,4-5,9-11H2,(H2,21,24) APMDRJOSPMXZBV-UHFFFAOYSA-N 149719 US8975415, RP5::US9242973, RP5 Beta-secretase 1 Homo sapiens 1560 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246703 252159263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361464 CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-13(2)14(6-19-7-14)15(8-20-12(17)18-15)10-5-9(16)3-4-11(10)21-13/h3-5H,6-8H2,1-2H3,(H2,17,18) BFCFOLFRUMYREH-UHFFFAOYSA-N 149720 US8975415, RP6::US9242973, RP6 Beta-secretase 1 Homo sapiens 11700 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724229 252159264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361465 C[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14+/m1/s1 UGDRTDNGDMXMII-CLAHSXSESA-N 149721 US8975415, RP7a::US9242973, RP7a Beta-secretase 1 Homo sapiens 39000 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056182 252159265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361466 C[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14-/m0/s1 UGDRTDNGDMXMII-RTHLEPHNSA-N 149722 US8975415, RP7b::US9242973, RP7b Beta-secretase 1 Homo sapiens 39700 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056178 252159266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361467 CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18) UVKPJIHODHUWCZ-UHFFFAOYSA-N 149724 US8975415, RP9a::US8975415, RP9b::US9242973, RP9b Beta-secretase 1 Homo sapiens 17300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056181 252159268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361468 CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18) UVKPJIHODHUWCZ-UHFFFAOYSA-N 149724 US8975415, RP9a::US8975415, RP9b::US9242973, RP9b Beta-secretase 1 Homo sapiens 24400 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056181 252159268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361469 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCC1 InChI=1S/C14H15BrN2O2/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17) GOBYJQFUBCMBOX-UHFFFAOYSA-N 149723 US8975415, RP8::US9242973, RP8 Beta-secretase 1 Homo sapiens 61300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724233 252159267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361470 NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(7-11)17(10-22-14(19)20-17)15(8-21-9-15)16(23-13)5-1-2-6-16/h3-4,7H,1-2,5-6,8-10H2,(H2,19,20) DTJVAANWMRFEEX-UHFFFAOYSA-N 149726 US8975415, RP10::US9242973, RP10 Beta-secretase 1 Homo sapiens 7210 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056183 252159269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361471 CCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C16H19BrN2O3/c1-2-3-13-15(7-20-8-15)16(9-21-14(18)19-16)11-6-10(17)4-5-12(11)22-13/h4-6,13H,2-3,7-9H2,1H3,(H2,18,19) PCABGJMPWSJFMR-UHFFFAOYSA-N 203877 US9242973, RP11a::US9242973, RP11b Beta-secretase 1 Homo sapiens 15600 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=203877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=203877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056187 319565078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361472 CCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C16H19BrN2O3/c1-2-3-13-15(7-20-8-15)16(9-21-14(18)19-16)11-6-10(17)4-5-12(11)22-13/h4-6,13H,2-3,7-9H2,1H3,(H2,18,19) PCABGJMPWSJFMR-UHFFFAOYSA-N 203877 US9242973, RP11a::US9242973, RP11b Beta-secretase 1 Homo sapiens 17400 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=203877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=203877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056187 319565078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361473 NC1=NC2(CO1)c1cc(Br)ccc1OC(C1CC1)C21COC1 InChI=1S/C16H17BrN2O3/c17-10-3-4-12-11(5-10)16(8-21-14(18)19-16)15(6-20-7-15)13(22-12)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,19) YRMAWAYLQWOXON-UHFFFAOYSA-N 149729 US8975415, RP12a::US8975415, RP12b::US9242973, RP12b Beta-secretase 1 Homo sapiens 38700 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056179 252159271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361474 NC1=NC2(CO1)c1cc(Br)ccc1OC(C1CC1)C21COC1 InChI=1S/C16H17BrN2O3/c17-10-3-4-12-11(5-10)16(8-21-14(18)19-16)15(6-20-7-15)13(22-12)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,19) YRMAWAYLQWOXON-UHFFFAOYSA-N 149729 US8975415, RP12a::US8975415, RP12b::US9242973, RP12b Beta-secretase 1 Homo sapiens 81300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056179 252159271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361475 CC(C)CC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C17H21BrN2O3/c1-10(2)5-14-16(7-21-8-16)17(9-22-15(19)20-17)12-6-11(18)3-4-13(12)23-14/h3-4,6,10,14H,5,7-9H2,1-2H3,(H2,19,20) IPOLRKPSCVSOEO-UHFFFAOYSA-N 149731 US8975415, RP13a::US8975415, RP13b::US9242973, RP13b Beta-secretase 1 Homo sapiens 11100 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056180 252159272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361476 CC(C)CC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C17H21BrN2O3/c1-10(2)5-14-16(7-21-8-16)17(9-22-15(19)20-17)12-6-11(18)3-4-13(12)23-14/h3-4,6,10,14H,5,7-9H2,1-2H3,(H2,19,20) IPOLRKPSCVSOEO-UHFFFAOYSA-N 149731 US8975415, RP13a::US8975415, RP13b::US9242973, RP13b Beta-secretase 1 Homo sapiens 19300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056180 252159272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361477 NC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1 InChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22) AJTLYZUBENANLT-UHFFFAOYSA-N 149733 US8975415, RP14a::US8975415, RP14b::US9242973, RP14b Beta-secretase 1 Homo sapiens 19000 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056189 252159273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361478 NC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1 InChI=1S/C16H16BrF3N2O3/c17-9-1-2-11-10(5-9)15(8-24-13(21)22-15)14(6-23-7-14)12(25-11)3-4-16(18,19)20/h1-2,5,12H,3-4,6-8H2,(H2,21,22) AJTLYZUBENANLT-UHFFFAOYSA-N 149733 US8975415, RP14a::US8975415, RP14b::US9242973, RP14b Beta-secretase 1 Homo sapiens 44200 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056189 252159273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361479 NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 InChI=1S/C20H19BrN2O3/c21-14-6-7-16-15(9-14)20(12-25-18(22)23-20)19(10-24-11-19)17(26-16)8-13-4-2-1-3-5-13/h1-7,9,17H,8,10-12H2,(H2,22,23) GSLXZIRPXIIFQZ-UHFFFAOYSA-N 149735 US8975415, RP15a::US8975415, RP15b::US9242973, RP15b Beta-secretase 1 Homo sapiens 1720 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056190 252159274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361480 NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 InChI=1S/C20H19BrN2O3/c21-14-6-7-16-15(9-14)20(12-25-18(22)23-20)19(10-24-11-19)17(26-16)8-13-4-2-1-3-5-13/h1-7,9,17H,8,10-12H2,(H2,22,23) GSLXZIRPXIIFQZ-UHFFFAOYSA-N 149735 US8975415, RP15a::US8975415, RP15b::US9242973, RP15b Beta-secretase 1 Homo sapiens 1010 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056190 252159274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361481 NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(6-11)17(9-22-15(19)20-17)16(7-21-8-16)14(23-13)5-10-1-2-10/h3-4,6,10,14H,1-2,5,7-9H2,(H2,19,20) FKWYDOXONAHPDE-UHFFFAOYSA-N 149737 US8975415, RP16a::US8975415, RP16b::US9242973, RP16b Beta-secretase 1 Homo sapiens 9540 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056184 252159275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361482 NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(6-11)17(9-22-15(19)20-17)16(7-21-8-16)14(23-13)5-10-1-2-10/h3-4,6,10,14H,1-2,5,7-9H2,(H2,19,20) FKWYDOXONAHPDE-UHFFFAOYSA-N 149737 US8975415, RP16a::US8975415, RP16b::US9242973, RP16b Beta-secretase 1 Homo sapiens 4570 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056184 252159275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361483 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1 InChI=1S/C13H13BrN2O2/c14-8-1-2-10-9(5-8)13(7-18-11(15)16-13)12(3-4-12)6-17-10/h1-2,5H,3-4,6-7H2,(H2,15,16) PRFPBWPICIUVRO-UHFFFAOYSA-N 149739 US8975415, RP17::US9242973, RP17 Beta-secretase 1 Homo sapiens 30200 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724231 252159276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361484 NC1=NC2(CO1)c1cc(Br)c(F)cc1OCC21CC1 InChI=1S/C13H12BrFN2O2/c14-8-3-7-10(4-9(8)15)18-5-12(1-2-12)13(7)6-19-11(16)17-13/h3-4H,1-2,5-6H2,(H2,16,17) UFQBEFKDLIPXMN-UHFFFAOYSA-N 149740 US8975415, RP18::US9242973, RP18 Beta-secretase 1 Homo sapiens 41300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056191 252159277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361485 COCC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H21N3O4/c1-26-6-2-3-15-7-17(10-24-9-15)16-4-5-19-18(8-16)22(14-29-20(23)25-22)21(13-28-19)11-27-12-21/h4-5,7-10H,6,11-14H2,1H3,(H2,23,25) UAKHLUDEERHAIR-UHFFFAOYSA-N 149741 US8975415, RP19::US9242973, RP19 Beta-secretase 1 Homo sapiens 2310 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724293 252159278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361486 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncc(c1)C#C InChI=1S/C20H17N3O3/c1-2-13-5-15(8-22-7-13)14-3-4-17-16(6-14)20(12-26-18(21)23-20)19(11-25-17)9-24-10-19/h1,3-8H,9-12H2,(H2,21,23) DIRWESJSDUWFGE-UHFFFAOYSA-N 149745 US8975415, RP23::US9242973, RP23 Beta-secretase 1 Homo sapiens 519 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056186 252159282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361487 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)C1=CCOCC1 InChI=1S/C18H20N2O4/c19-16-20-18(11-24-16)14-7-13(12-3-5-21-6-4-12)1-2-15(14)23-10-17(18)8-22-9-17/h1-3,7H,4-6,8-11H2,(H2,19,20) URKSNHXMPKDXME-UHFFFAOYSA-N 149746 US8975415, RP24::US9242973, RP24 Beta-secretase 1 Homo sapiens 37900 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056188 252159283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361488 NC1=NC2(CO1)c1cc(Nc3ccccn3)ccc1OCC21COC1 InChI=1S/C18H18N4O3/c19-16-22-18(11-25-16)13-7-12(21-15-3-1-2-6-20-15)4-5-14(13)24-10-17(18)8-23-9-17/h1-7H,8-11H2,(H2,19,22)(H,20,21) DXFOQTNLMLHOLF-UHFFFAOYSA-N 149747 US8975415, RP25::US9242973, RP25 Beta-secretase 1 Homo sapiens 36900 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248992 252159284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361489 COc1cccnc1Nc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H20N4O4/c1-24-15-3-2-6-21-16(15)22-12-4-5-14-13(7-12)19(11-27-17(20)23-19)18(10-26-14)8-25-9-18/h2-7H,8-11H2,1H3,(H2,20,23)(H,21,22) ZEYHRDUCBSUMIM-UHFFFAOYSA-N 149748 US8975415, RP26::US9242973, RP26 Beta-secretase 1 Homo sapiens 3750 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056457 252159285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361490 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27) INWIVMOTHPFWNU-UHFFFAOYSA-N 149749 US8975415, 27::US9242973, 27 Beta-secretase 1 Homo sapiens 38.2 82.2 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548694 252159286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361491 CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H21FN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27) FSJTVQBTRXXXMC-UHFFFAOYSA-N 149750 US8975415, 28::US9242973, 28 Beta-secretase 1 Homo sapiens 117 154 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548695 252159287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361492 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1 InChI=1S/C19H16ClFN4O3/c20-10-5-13(21)15(23-7-10)16(26)24-11-1-2-14-12(6-11)19(9-28-17(22)25-19)18(3-4-18)8-27-14/h1-2,5-7H,3-4,8-9H2,(H2,22,25)(H,24,26) BAZZVTQQQIAGLD-UHFFFAOYSA-N 149751 US8975415, RP29::US9242973, RP29 Beta-secretase 1 Homo sapiens 240 276 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056150 252159288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361493 CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H20ClFN4O4/c1-19(2)20(8-29-9-20)21(10-30-18(24)27-21)13-6-12(3-4-15(13)31-19)26-17(28)16-14(23)5-11(22)7-25-16/h3-7H,8-10H2,1-2H3,(H2,24,27)(H,26,28) NNCFJTIUQAEALJ-UHFFFAOYSA-N 149752 US8975415, 30::US9242973, 30 Beta-secretase 1 Homo sapiens 51.5 97.5 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548696 252159289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361494 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 InChI=1S/C19H17FN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25) SGURBDAGQXAXNV-UHFFFAOYSA-N 149753 US8975415, RP31::US9242973, RP31 Beta-secretase 1 Homo sapiens 1030 1060 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724294 252159290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361495 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 InChI=1S/C19H17ClN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25) ASXIBZVBBQRBMI-UHFFFAOYSA-N 149754 US8975415, RP32::US9242973, RP32 Beta-secretase 1 Homo sapiens 378 418 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056233 252159291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361496 COc1ccc(F)c(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H19FN2O4/c1-24-13-3-4-16(21)14(7-13)12-2-5-17-15(6-12)20(11-27-18(22)23-20)19(10-26-17)8-25-9-19/h2-7H,8-11H2,1H3,(H2,22,23) XONPOKBMDJXSSK-UHFFFAOYSA-N 149755 US8975415, RP33::US9242973, RP33 Beta-secretase 1 Homo sapiens 1520 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056442 252159292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361497 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cc(Cl)cnc1F InChI=1S/C18H15ClFN3O3/c19-11-4-12(15(20)22-5-11)10-1-2-14-13(3-10)18(9-26-16(21)23-18)17(8-25-14)6-24-7-17/h1-5H,6-9H2,(H2,21,23) OXWANDFSWNCOLM-UHFFFAOYSA-N 149756 US8975415, RP34::US9242973, RP34 Beta-secretase 1 Homo sapiens 1240 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246706 252159293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361498 COCCCc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C17H22N2O4/c1-20-6-2-3-12-4-5-14-13(7-12)17(11-23-15(18)19-17)16(10-22-14)8-21-9-16/h4-5,7H,2-3,6,8-11H2,1H3,(H2,18,19) VTWHTZBWARHXHY-UHFFFAOYSA-N 149757 US8975415, RP35::US9242973, RP35 Beta-secretase 1 Homo sapiens 26000 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056459 252159294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361499 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncnc1 InChI=1S/C17H16N4O3/c18-15-21-17(9-24-15)13-3-11(12-4-19-10-20-5-12)1-2-14(13)23-8-16(17)6-22-7-16/h1-5,10H,6-9H2,(H2,18,21) FIBKURPTGZJVGG-UHFFFAOYSA-N 149758 US8975415, RP36::US9242973, RP36 Beta-secretase 1 Homo sapiens 2900 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246707 252159295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361500 Cc1cccc(CCc2ccc3OCC4(COC4)C4(COC(N)=N4)c3c2)c1 InChI=1S/C22H24N2O3/c1-15-3-2-4-16(9-15)5-6-17-7-8-19-18(10-17)22(14-27-20(23)24-22)21(13-26-19)11-25-12-21/h2-4,7-10H,5-6,11-14H2,1H3,(H2,23,24) XXKXSECDGZWWRS-UHFFFAOYSA-N 149760 US8975415, RP38::US9242973, RP38 Beta-secretase 1 Homo sapiens 17300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056460 252159297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361501 NC1=NC2(c3cccc(F)c13)c1cc(Br)ccc1OCC21CC1 InChI=1S/C18H14BrFN2O/c19-10-4-5-14-12(8-10)18(17(6-7-17)9-23-14)11-2-1-3-13(20)15(11)16(21)22-18/h1-5,8H,6-7,9H2,(H2,21,22) QVWGEWNOPBCBAV-UHFFFAOYSA-N 149761 US8975415, RP40::US9242973, RP40 Beta-secretase 1 Homo sapiens 46900 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724297 252159298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361502 NC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C13H13BrN2O2S/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16) OIIKYZRXWBNXLG-UHFFFAOYSA-N 149762 US8975415, RP41::US9242973, RP41 Beta-secretase 1 Homo sapiens 24800 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724235 252159299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361503 CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O2S/c1-13(2)14(6-19-7-14)15(8-21-12(17)18-15)10-5-9(16)3-4-11(10)20-13/h3-5H,6-8H2,1-2H3,(H2,17,18) FXWBDJSWBRAHBD-UHFFFAOYSA-N 149763 US8975415, RP42::US9242973, RP42 Beta-secretase 1 Homo sapiens 16100 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056326 252159300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361504 NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 InChI=1S/C18H17ClN4O3/c19-13-2-1-5-21-15(13)22-11-3-4-14-12(6-11)18(10-26-16(20)23-18)17(9-25-14)7-24-8-17/h1-6H,7-10H2,(H2,20,23)(H,21,22) XNPBNQHTEMDPQV-UHFFFAOYSA-N 149764 US8975415, RP43::US9242973, RP43 Beta-secretase 1 Homo sapiens 1960 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724298 252159301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361505 NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OC1(CCC1)C21COC1 InChI=1S/C21H21ClN4O3/c22-15-3-1-8-24-17(15)25-13-4-5-16-14(9-13)21(12-28-18(23)26-21)19(10-27-11-19)20(29-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,23,26)(H,24,25) XYJZKZHKINNLPL-UHFFFAOYSA-N 149765 US8975415, RP44::US9242973, RP44 Beta-secretase 1 Homo sapiens 602 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056330 252159302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361506 COc1cccnc1Nc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H24N4O4/c1-27-17-4-2-9-24-18(17)25-14-5-6-16-15(10-14)22(13-29-19(23)26-22)20(11-28-12-20)21(30-16)7-3-8-21/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H2,23,26)(H,24,25) WWHBQSJSWHAQSI-UHFFFAOYSA-N 149766 US8975415, RP45::US9242973, RP45 Beta-secretase 1 Homo sapiens 1040 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056328 252159303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361507 CC(C)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H26N2O3/c1-13(2)8-14-4-5-16-15(9-14)20(12-24-17(21)22-20)18(10-23-11-18)19(25-16)6-3-7-19/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H2,21,22) DRTDEDKNDXQLDZ-UHFFFAOYSA-N 149767 US8975415, RP46::US9242973, RP46 Beta-secretase 1 Homo sapiens 8940 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724299 252159304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361508 CCC(CC)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H30N2O3/c1-3-15(4-2)10-16-6-7-18-17(11-16)22(14-26-19(23)24-22)20(12-25-13-20)21(27-18)8-5-9-21/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3,(H2,23,24) VCGSYVUVMWKNOH-UHFFFAOYSA-N 149768 US8975415, RP47::US9242973, RP47 Beta-secretase 1 Homo sapiens 2330 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056331 252159305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361509 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#CC1CC1 InChI=1S/C26H25N3O3/c27-23-29-26(16-31-23)21-11-19(20-10-18(12-28-13-20)5-4-17-2-3-17)6-7-22(21)32-25(8-1-9-25)24(26)14-30-15-24/h6-7,10-13,17H,1-3,8-9,14-16H2,(H2,27,29) QDLAPCDNFUGWBN-UHFFFAOYSA-N 149769 US8975415, RP48::US9242973, RP48 Beta-secretase 1 Homo sapiens 1130 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724301 252159306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361510 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 48600 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361511 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 137 172 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361512 CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24) ZKVKPYPCNDJJIH-UHFFFAOYSA-N 149772 US8975415, RP111::US8975415, RP52a::US9242973, RP111 Beta-secretase 1 Homo sapiens 161 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90016739 252159308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361513 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 123 157 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361514 CC1(C)Oc2ccc(cc2C2(CSC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O2S/c1-17(2)18(8-24-9-18)19(10-26-16(20)23-19)14-5-12(3-4-15(14)25-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) DGIBRPPLNYXLMV-UHFFFAOYSA-N 149774 US8975415, RP54::US9242973, RP54 Beta-secretase 1 Homo sapiens 406 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724304 252159310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361515 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(c1)C1CC1 InChI=1S/C21H21N3O2/c22-19-24-21(12-26-19)17-8-14(3-4-18(17)25-11-20(21)5-6-20)16-7-15(9-23-10-16)13-1-2-13/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,22,24) DFEWHEYFZREFMD-UHFFFAOYSA-N 149776 US8975415, RP57::US9242973, RP57 Beta-secretase 1 Homo sapiens 3690 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246708 252159312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361516 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)F)c1 InChI=1S/C20H18F3N3O3/c21-20(22,23)11-27-14-5-13(7-25-8-14)12-1-2-16-15(6-12)19(10-29-17(24)26-19)18(3-4-18)9-28-16/h1-2,5-8H,3-4,9-11H2,(H2,24,26) PBIVNBDJISSSOF-UHFFFAOYSA-N 149777 US8975415, RP58::US9242973, RP58 Beta-secretase 1 Homo sapiens 1480 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246709 252159313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361517 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)F)c1 InChI=1S/C20H19F2N3O3/c21-17(22)9-26-14-5-13(7-24-8-14)12-1-2-16-15(6-12)20(11-28-18(23)25-20)19(3-4-19)10-27-16/h1-2,5-8,17H,3-4,9-11H2,(H2,23,25) WQKBRYBBAYLSSQ-UHFFFAOYSA-N 149778 US8975415, RP59::US9242973, RP59 Beta-secretase 1 Homo sapiens 1110 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246710 252159314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361518 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OC(F)F)c1 InChI=1S/C19H17F2N3O3/c20-16(21)27-13-5-12(7-23-8-13)11-1-2-15-14(6-11)19(10-26-17(22)24-19)18(3-4-18)9-25-15/h1-2,5-8,16H,3-4,9-10H2,(H2,22,24) UNYXJDJEOAZPJZ-UHFFFAOYSA-N 149779 US8975415, RP60::US9242973, RP60 Beta-secretase 1 Homo sapiens 1480 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055135 252159315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361519 CCc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O2/c1-2-13-7-15(10-22-9-13)14-3-4-17-16(8-14)20(12-25-18(21)23-20)19(5-6-19)11-24-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23) ACFKJXYIJBZGDF-UHFFFAOYSA-N 149782 US8975415, RP63::US9242973, RP63 Beta-secretase 1 Homo sapiens 7900 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246712 252159318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361520 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)C(F)F)c1 InChI=1S/C21H19F4N3O3/c22-17(23)21(24,25)11-29-14-5-13(7-27-8-14)12-1-2-16-15(6-12)20(10-31-18(26)28-20)19(3-4-19)9-30-16/h1-2,5-8,17H,3-4,9-11H2,(H2,26,28) DSXZHBCAGPUTHY-UHFFFAOYSA-N 149783 US8975415, RP64::US9242973, RP64 Beta-secretase 1 Homo sapiens 6120 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246711 252159319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361521 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1 InChI=1S/C21H19N3O2S/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) SUTVFEFTMJCRDP-UHFFFAOYSA-N 149787 US8975415, RP68::US9242973, RP68 Beta-secretase 1 Homo sapiens 345 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246713 252159323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361522 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 397 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361523 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(F)c1 InChI=1S/C21H20FN3O3/c22-15-6-14(8-24-9-15)13-2-3-17-16(7-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-17)4-1-5-20/h2-3,6-9H,1,4-5,10-12H2,(H2,23,25) VKXZBNSASBAXPO-UHFFFAOYSA-N 149789 US8975415, RP70::US9242973, RP70 Beta-secretase 1 Homo sapiens 1750 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246714 252159324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361524 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1F InChI=1S/C21H20FN3O3/c22-17-14(3-1-8-24-17)13-4-5-16-15(9-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,23,25) MIWGEPYDEJPCPW-UHFFFAOYSA-N 149790 US8975415, RP71::US9242973, RP71 Beta-secretase 1 Homo sapiens 1080 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246716 252159325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361525 COc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O4/c1-26-16-7-15(9-24-10-16)14-3-4-18-17(8-14)22(13-28-19(23)25-22)20(11-27-12-20)21(29-18)5-2-6-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H2,23,25) OKGLRFINLNSCOR-UHFFFAOYSA-N 149791 US8975415, RP72::US9242973, RP72 Beta-secretase 1 Homo sapiens 817 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246715 252159326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361526 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(Cl)cnc1F InChI=1S/C21H19ClFN3O3/c22-13-7-14(17(23)25-8-13)12-2-3-16-15(6-12)21(11-28-18(24)26-21)19(9-27-10-19)20(29-16)4-1-5-20/h2-3,6-8H,1,4-5,9-11H2,(H2,24,26) AUJWOEBPSRCTTA-UHFFFAOYSA-N 149792 US8975415, RP73::US9242973, RP73 Beta-secretase 1 Homo sapiens 827 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056441 252159327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361527 Cc1ncccc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O3/c1-14-16(4-2-9-24-14)15-5-6-18-17(10-15)22(13-27-19(23)25-22)20(11-26-12-20)21(28-18)7-3-8-21/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H2,23,25) UJNYDVRLOOXJNH-UHFFFAOYSA-N 149793 US8975415, RP74::US9242973, RP74 Beta-secretase 1 Homo sapiens 35400 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246717 252159328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361528 Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O3/c1-14-7-16(10-24-9-14)15-3-4-18-17(8-15)22(13-27-19(23)25-22)20(11-26-12-20)21(28-18)5-2-6-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H2,23,25) XVSNEAWVASTHHT-UHFFFAOYSA-N 149794 US8975415, RP75::US9242973, RP75 Beta-secretase 1 Homo sapiens 3670 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025147 252159329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361529 Cc1cnnc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22N4O3/c1-13-7-16(25-23-9-13)14-3-4-17-15(8-14)21(12-27-18(22)24-21)19(10-26-11-19)20(28-17)5-2-6-20/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,22,24) CENZKPKDVOYGAD-UHFFFAOYSA-N 149795 US8975415, RP76::US9242973, RP76 Beta-secretase 1 Homo sapiens 13400 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246718 252159330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361530 C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C19H18FN3O3/c1-11-18(8-24-9-18)19(10-25-17(21)23-19)14-7-12(4-5-15(14)26-11)13-3-2-6-22-16(13)20/h2-7,11H,8-10H2,1H3,(H2,21,23)/t11-,19+/m1/s1 GBWBGGRZIJBHOV-WYRIXSBYSA-N 149796 US8975415, RP77::US9242973, RP77 Beta-secretase 1 Homo sapiens 1430 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246719 252159331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361531 C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C18H18N4O3/c1-11-17(7-23-8-17)18(9-24-16(19)22-18)14-4-12(2-3-15(14)25-11)13-5-20-10-21-6-13/h2-6,10-11H,7-9H2,1H3,(H2,19,22)/t11-,18+/m1/s1 VFWRHIJUHBWEBW-ZMZPIMSZSA-N 149797 US8975415, RP78::US9242973, RP78 Beta-secretase 1 Homo sapiens 2050 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056135 252159332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361532 C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C19H18FN3O3/c1-11-18(8-24-9-18)19(10-25-17(21)23-19)14-7-12(4-5-15(14)26-11)13-3-2-6-22-16(13)20/h2-7,11H,8-10H2,1H3,(H2,21,23)/t11-,19-/m0/s1 GBWBGGRZIJBHOV-WLRWDXFRSA-N 149798 US8975415, RP79::US9242973, RP79 Beta-secretase 1 Homo sapiens 1690 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056142 252159333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361533 C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C18H18N4O3/c1-11-17(7-23-8-17)18(9-24-16(19)22-18)14-4-12(2-3-15(14)25-11)13-5-20-10-21-6-13/h2-6,10-11H,7-9H2,1H3,(H2,19,22)/t11-,18-/m0/s1 VFWRHIJUHBWEBW-VOJFVSQTSA-N 149799 US8975415, RP80::US9242973, RP80 Beta-secretase 1 Homo sapiens 1910 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056134 252159334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361534 COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/m1/s1 FODVISLDJAALAH-ODXCJYRJSA-N 149800 US8975415, RP81::US9242973, RP81 Beta-secretase 1 Homo sapiens 1890 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246720 252159335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361535 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24) AVGCDLOTQSAMEY-UHFFFAOYSA-N 149801 US8975415, RP82::US9242973, RP82 Beta-secretase 1 Homo sapiens 348 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246721 252159336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361536 COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)16-7-13(4-5-17(16)28-19)14-6-15(25-3)9-23-8-14/h4-9H,10-12H2,1-3H3,(H2,22,24) IAWZSEUFAASPLV-UHFFFAOYSA-N 149802 US8975415, RP83::US9242973, RP83 Beta-secretase 1 Homo sapiens 255 285 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246722 252159337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361537 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-2-16-18(8-24-9-18)19(10-25-17(20)23-19)14-5-12(3-4-15(14)26-16)13-6-21-11-22-7-13/h3-7,11,16H,2,8-10H2,1H3,(H2,20,23) ZMBYVIVIUYRASD-UHFFFAOYSA-N 149803 US8975415, RP84::US8975415, RP87::US9242973, RP84 Beta-secretase 1 Homo sapiens 735 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246723 252159338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361538 NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-18-25-21(12-27-18)16-7-14(15-8-23-13-24-9-15)3-4-17(16)28-20(5-1-2-6-20)19(21)10-26-11-19/h3-4,7-9,13H,1-2,5-6,10-12H2,(H2,22,25) STXYCGOXMYPZGQ-UHFFFAOYSA-N 149804 US8975415, RP85::US9242973, RP85 Beta-secretase 1 Homo sapiens 319 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056138 252159339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361539 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC InChI=1S/C23H23N3O3/c1-3-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-21(24)26-23)22(12-27-13-22)20(4-2)29-19/h6-11,20H,4,12-14H2,1-2H3,(H2,24,26) YOCKQJMJWGYCKD-UHFFFAOYSA-N 149805 US8975415, RP86::US9242973, RP86 Beta-secretase 1 Homo sapiens 107 143 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246724 252159340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361540 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-2-16-18(8-24-9-18)19(10-25-17(20)23-19)14-5-12(3-4-15(14)26-16)13-6-21-11-22-7-13/h3-7,11,16H,2,8-10H2,1H3,(H2,20,23) ZMBYVIVIUYRASD-UHFFFAOYSA-N 149803 US8975415, RP84::US8975415, RP87::US9242973, RP84 Beta-secretase 1 Homo sapiens 1550 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246723 252159338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361541 NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-18-24-20(10-26-18)15-5-13(14-6-22-11-23-7-14)3-4-16(15)27-17(12-1-2-12)19(20)8-25-9-19/h3-7,11-12,17H,1-2,8-10H2,(H2,21,24) LHAFHTSWDCBCED-UHFFFAOYSA-N 149807 US8975415, RP88::US8975415, RP89::US9242973, RP89 Beta-secretase 1 Homo sapiens 2510 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056144 252159341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361542 NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-18-24-20(10-26-18)15-5-13(14-6-22-11-23-7-14)3-4-16(15)27-17(12-1-2-12)19(20)8-25-9-19/h3-7,11-12,17H,1-2,8-10H2,(H2,21,24) LHAFHTSWDCBCED-UHFFFAOYSA-N 149807 US8975415, RP88::US8975415, RP89::US9242973, RP89 Beta-secretase 1 Homo sapiens 4670 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056144 252159341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361543 CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C21H24N4O3/c1-13(2)5-18-20(9-26-10-20)21(11-27-19(22)25-21)16-6-14(3-4-17(16)28-18)15-7-23-12-24-8-15/h3-4,6-8,12-13,18H,5,9-11H2,1-2H3,(H2,22,25) QQPOTGIGKATGCB-UHFFFAOYSA-N 149809 US8975415, RP90::US8975415, RP93::US9242973, RP93 Beta-secretase 1 Homo sapiens 901 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246725 252159342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361544 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C20H22N4O3/c1-2-3-17-19(9-25-10-19)20(11-26-18(21)24-20)15-6-13(4-5-16(15)27-17)14-7-22-12-23-8-14/h4-8,12,17H,2-3,9-11H2,1H3,(H2,21,24) XGNRRAYBEHJJDH-UHFFFAOYSA-N 149810 US8975415, RP91::US8975415, RP94::US9242973, RP94 Beta-secretase 1 Homo sapiens 656 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056255 252159343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361545 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC InChI=1S/C24H25N3O3/c1-3-5-16-9-18(12-26-11-16)17-7-8-20-19(10-17)24(15-29-22(25)27-24)23(13-28-14-23)21(30-20)6-4-2/h7-12,21H,4,6,13-15H2,1-2H3,(H2,25,27) VKNCKYKSIFQAIK-UHFFFAOYSA-N 149811 US8975415, RP92::US9242973, RP92 Beta-secretase 1 Homo sapiens 87.9 124 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246726 252159344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361546 CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C21H24N4O3/c1-13(2)5-18-20(9-26-10-20)21(11-27-19(22)25-21)16-6-14(3-4-17(16)28-18)15-7-23-12-24-8-15/h3-4,6-8,12-13,18H,5,9-11H2,1-2H3,(H2,22,25) QQPOTGIGKATGCB-UHFFFAOYSA-N 149809 US8975415, RP90::US8975415, RP93::US9242973, RP93 Beta-secretase 1 Homo sapiens 629 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246725 252159342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361547 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C20H22N4O3/c1-2-3-17-19(9-25-10-19)20(11-26-18(21)24-20)15-6-13(4-5-16(15)27-17)14-7-22-12-23-8-14/h4-8,12,17H,2-3,9-11H2,1H3,(H2,21,24) XGNRRAYBEHJJDH-UHFFFAOYSA-N 149810 US8975415, RP91::US8975415, RP94::US9242973, RP94 Beta-secretase 1 Homo sapiens 862 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056255 252159343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361548 NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21COC1)-c1cncnc1 InChI=1S/C20H19F3N4O3/c21-20(22,23)4-3-16-18(8-28-9-18)19(10-29-17(24)27-19)14-5-12(1-2-15(14)30-16)13-6-25-11-26-7-13/h1-2,5-7,11,16H,3-4,8-10H2,(H2,24,27) SIJQFJDBAGZTQE-UHFFFAOYSA-N 203883 US9242973, RP95 Beta-secretase 1 Homo sapiens 740 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=203883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=203883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056256 319565079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361549 CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H22F3N3O3/c1-2-3-15-8-17(11-29-10-15)16-4-5-19-18(9-16)23(14-32-21(28)30-23)22(12-31-13-22)20(33-19)6-7-24(25,26)27/h4-5,8-11,20H,6-7,12-14H2,1H3,(H2,28,30) LMEWGQSCAOBUKB-UHFFFAOYSA-N 149815 US8975415, RP96::US9242973, RP96 Beta-secretase 1 Homo sapiens 868 126 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246728 252159346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361550 NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 InChI=1S/C18H18N4O3/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-25-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) DMEXFXDUGPEWQS-UHFFFAOYSA-N 149816 US8975415, RP97::US8975415, RP98::US9242973, RP98 Beta-secretase 1 Homo sapiens 20200 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246729 252159347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361551 NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 InChI=1S/C18H18N4O3/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-25-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) DMEXFXDUGPEWQS-UHFFFAOYSA-N 149816 US8975415, RP97::US8975415, RP98::US9242973, RP98 Beta-secretase 1 Homo sapiens 64100 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246729 252159347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361552 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)(F)F InChI=1S/C22H20F3N3O3/c23-22(24,25)15-6-14(8-27-9-15)13-2-3-17-16(7-13)21(12-30-18(26)28-21)19(10-29-11-19)20(31-17)4-1-5-20/h2-3,6-9H,1,4-5,10-12H2,(H2,26,28) DNXRXHBBOSWKEH-UHFFFAOYSA-N 149818 US8975415, RP99::US9242973, RP99 Beta-secretase 1 Homo sapiens 2970 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056251 252159348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361553 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C17H16N4O2/c18-15-21-17(9-23-15)13-5-11(12-6-19-10-20-7-12)1-2-14(13)22-8-16(17)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,18,21) GQFYFTNDSLXGAN-UHFFFAOYSA-N 149819 US8975415, RP100::US9242973, RP100 Beta-secretase 1 Homo sapiens 2620 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056261 252159349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361554 NC1=NC2(CO1)c1cc(ccc1OCC21CCC1)-c1cncnc1 InChI=1S/C18H18N4O2/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) AOHYTTMQYWIGBI-UHFFFAOYSA-N 149820 US8975415, RP101::US9242973, RP101 Beta-secretase 1 Homo sapiens 7650 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056252 252159350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361555 NC1=NC2(CO1)c1cc(c(F)cc1OCC21CC1)-c1cncnc1 InChI=1S/C17H15FN4O2/c18-13-4-14-12(3-11(13)10-5-20-9-21-6-10)17(8-24-15(19)22-17)16(1-2-16)7-23-14/h3-6,9H,1-2,7-8H2,(H2,19,22) LZIPIZWOUYFZDB-UHFFFAOYSA-N 149821 US8975415, RP102::US9242973, RP102 Beta-secretase 1 Homo sapiens 1610 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056259 252159351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361556 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cccnc1F InChI=1S/C18H16FN3O2/c19-15-12(2-1-7-21-15)11-3-4-14-13(8-11)18(10-24-16(20)22-18)17(5-6-17)9-23-14/h1-4,7-8H,5-6,9-10H2,(H2,20,22) HAVSLFQSSPEGTD-UHFFFAOYSA-N 149822 US8975415, RP103::US9242973, RP103 Beta-secretase 1 Homo sapiens 2190 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056258 252159352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361557 COc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N3O3/c1-23-14-6-13(8-21-9-14)12-2-3-16-15(7-12)19(11-25-17(20)22-19)18(4-5-18)10-24-16/h2-3,6-9H,4-5,10-11H2,1H3,(H2,20,22) ZOGSWBUPTFGEHZ-UHFFFAOYSA-N 149824 US8975415, RP105::US9242973, RP105 Beta-secretase 1 Homo sapiens 2940 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056199 252159354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361558 CCOc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O3/c1-2-24-15-7-14(9-22-10-15)13-3-4-17-16(8-13)20(12-26-18(21)23-20)19(5-6-19)11-25-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23) ZBXSCAQSUCUQMO-UHFFFAOYSA-N 149825 US8975415, RP106::US9242973, RP106 Beta-secretase 1 Homo sapiens 1830 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246730 252159355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361559 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(Cl)c1 InChI=1S/C18H16ClN3O2/c19-13-5-12(7-21-8-13)11-1-2-15-14(6-11)18(10-24-16(20)22-18)17(3-4-17)9-23-15/h1-2,5-8H,3-4,9-10H2,(H2,20,22) WMZFHEUJJBBJRB-UHFFFAOYSA-N 149826 US8975415, RP107::US9242973, RP107 Beta-secretase 1 Homo sapiens 1060 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056194 252159356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361560 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 354 383 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361561 CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H23N3O3/c1-2-4-16-9-18(12-26-11-16)17-5-6-20-19(10-17)24(15-29-21(25)27-24)22(13-28-14-22)23(30-20)7-3-8-23/h5-6,9-12H,3,7-8,13-15H2,1H3,(H2,25,27) NPOSFNQEFRRESB-UHFFFAOYSA-N 149828 US8975415, RP109::US9242973, RP109 Beta-secretase 1 Homo sapiens 120 152 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246731 252159357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361562 CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23N3O3/c1-4-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-20(24)26-23)22(12-27-13-22)21(2,3)29-19/h6-11H,12-14H2,1-3H3,(H2,24,26) TWNMFZUXTQLPDM-UHFFFAOYSA-N 149829 US8975415, RP110::US9242973, RP110 Beta-secretase 1 Homo sapiens 90.4 137 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056237 252159358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361563 CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24) ZKVKPYPCNDJJIH-UHFFFAOYSA-N 149772 US8975415, RP111::US8975415, RP52a::US9242973, RP111 Beta-secretase 1 Homo sapiens 252 287 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90016739 252159308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361564 CC#Cc1cncc(c1)-c1cc2c(OCC3(CC3)C22COC(N)=N2)cc1F InChI=1S/C21H18FN3O2/c1-2-3-13-6-14(10-24-9-13)15-7-16-18(8-17(15)22)26-11-20(4-5-20)21(16)12-27-19(23)25-21/h6-10H,4-5,11-12H2,1H3,(H2,23,25) GYSSPZTVUHYMLA-UHFFFAOYSA-N 149831 US8975415, RP112::US9242973, RP112 Beta-secretase 1 Homo sapiens 400 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246732 252159359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361565 CC#Cc1cncc(c1)-c1ccc2OCC3(CCC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H21N3O2/c1-2-4-15-9-17(12-24-11-15)16-5-6-19-18(10-16)22(14-27-20(23)25-22)21(13-26-19)7-3-8-21/h5-6,9-12H,3,7-8,13-14H2,1H3,(H2,23,25) KFPPUCOTYZKISY-UHFFFAOYSA-N 149832 US8975415, RP113::US9242973, RP113 Beta-secretase 1 Homo sapiens 1110 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246733 252159360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361566 NC1=NC2(COC1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C14H15BrN2O3/c15-9-1-2-11-10(3-9)14(8-18-4-12(16)17-14)13(7-20-11)5-19-6-13/h1-3H,4-8H2,(H2,16,17) ZABSVJIMCNPJGL-UHFFFAOYSA-N 149833 US8975415, RP114::US9242973, RP114 Beta-secretase 1 Homo sapiens 68300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056198 252159361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361567 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C#N InChI=1S/C22H20N4O3/c23-10-17-15(3-1-8-25-17)14-4-5-18-16(9-14)22(13-28-19(24)26-22)20(11-27-12-20)21(29-18)6-2-7-21/h1,3-5,8-9H,2,6-7,11-13H2,(H2,24,26) UGLJAYTUNCDFRY-UHFFFAOYSA-N 149834 US8975415, RP115::US9242973, RP115 Beta-secretase 1 Homo sapiens 3310 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025658 252159362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361568 Cc1cnc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H22FN3O3/c1-13-7-15(18(23)25-9-13)14-3-4-17-16(8-14)22(12-28-19(24)26-22)20(10-27-11-20)21(29-17)5-2-6-21/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,24,26) RUUFULDNAISCMR-UHFFFAOYSA-N 149835 US8975415, RP116::US9242973, RP116 Beta-secretase 1 Homo sapiens 1270 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90026778 252159363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361569 Cc1ncncc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22N4O3/c1-13-15(8-23-12-24-13)14-3-4-17-16(7-14)21(11-27-18(22)25-21)19(9-26-10-19)20(28-17)5-2-6-20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,22,25) ZNEBJRVYFYIQSP-UHFFFAOYSA-N 149836 US8975415, RP117::US9242973, RP117 Beta-secretase 1 Homo sapiens 4400 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246734 252159364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361570 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)F InChI=1S/C22H21F2N3O3/c23-18(24)15-6-14(8-26-9-15)13-2-3-17-16(7-13)22(12-29-19(25)27-22)20(10-28-11-20)21(30-17)4-1-5-21/h2-3,6-9,18H,1,4-5,10-12H2,(H2,25,27) HSUAECWUMSPRSF-UHFFFAOYSA-N 149837 US8975415, RP118::US9242973, RP118 Beta-secretase 1 Homo sapiens 1810 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056204 252159365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361571 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)nc1 InChI=1S/C21H20FN3O3/c22-17-5-3-14(9-24-17)13-2-4-16-15(8-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-16)6-1-7-20/h2-5,8-9H,1,6-7,10-12H2,(H2,23,25) FJDLAEVSDZQHMJ-UHFFFAOYSA-N 149838 US8975415, RP119::US9242973, RP119 Beta-secretase 1 Homo sapiens 3560 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056463 252159366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361572 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#N InChI=1S/C22H20N4O3/c23-8-14-6-16(10-25-9-14)15-2-3-18-17(7-15)22(13-28-19(24)26-22)20(11-27-12-20)21(29-18)4-1-5-21/h2-3,6-7,9-10H,1,4-5,11-13H2,(H2,24,26) CUTZXRZGKNKNJA-UHFFFAOYSA-N 149839 US8975415, RP120::US9242973, RP120 Beta-secretase 1 Homo sapiens 1890 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056445 252159367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361573 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)nc1F InChI=1S/C21H19F2N3O3/c22-16-5-3-13(17(23)25-16)12-2-4-15-14(8-12)21(11-28-18(24)26-21)19(9-27-10-19)20(29-15)6-1-7-20/h2-5,8H,1,6-7,9-11H2,(H2,24,26) GNSLGVRHWMTDBJ-UHFFFAOYSA-N 149840 US8975415, RP121::US9242973, RP121 Beta-secretase 1 Homo sapiens 3370 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246735 252159368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361574 COc1cc(c(F)cn1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H22FN3O4/c1-27-18-8-14(16(23)9-25-18)13-3-4-17-15(7-13)22(12-29-19(24)26-22)20(10-28-11-20)21(30-17)5-2-6-21/h3-4,7-9H,2,5-6,10-12H2,1H3,(H2,24,26) QBICDTPYZIJHTB-UHFFFAOYSA-N 149841 US8975415, RP122::US9242973, RP122 Beta-secretase 1 Homo sapiens 2740 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056454 252159369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361575 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccccc1 InChI=1S/C22H22N2O3/c23-19-24-22(14-26-19)17-11-16(15-5-2-1-3-6-15)7-8-18(17)27-21(9-4-10-21)20(22)12-25-13-20/h1-3,5-8,11H,4,9-10,12-14H2,(H2,23,24) OUSCSZCQKOULOD-UHFFFAOYSA-N 149842 US8975415, RP123::US9242973, RP123 Beta-secretase 1 Homo sapiens 3390 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056446 252159370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361576 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccccc1F InChI=1S/C22H21FN2O3/c23-17-5-2-1-4-15(17)14-6-7-18-16(10-14)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)8-3-9-21/h1-2,4-7,10H,3,8-9,11-13H2,(H2,24,25) PQPCAOQHCPZEDG-UHFFFAOYSA-N 149843 US8975415, RP124::US9242973, RP124 Beta-secretase 1 Homo sapiens 3590 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056474 252159371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361577 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1 InChI=1S/C22H21FN2O3/c23-16-4-1-3-14(9-16)15-5-6-18-17(10-15)22(13-27-19(24)25-22)20(11-26-12-20)21(28-18)7-2-8-21/h1,3-6,9-10H,2,7-8,11-13H2,(H2,24,25) AORINRZTSWKVOX-UHFFFAOYSA-N 149844 US8975415, RP125::US9242973, RP125 Beta-secretase 1 Homo sapiens 2310 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056447 252159372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361578 COc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24N2O4/c1-26-17-5-2-4-15(10-17)16-6-7-19-18(11-16)23(14-28-20(24)25-23)21(12-27-13-21)22(29-19)8-3-9-22/h2,4-7,10-11H,3,8-9,12-14H2,1H3,(H2,24,25) ICTGQWRYTVZEMV-UHFFFAOYSA-N 149845 US8975415, RP126::US9242973, RP126 Beta-secretase 1 Homo sapiens 696 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056489 252159373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361579 Cc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24N2O3/c1-15-4-2-5-16(10-15)17-6-7-19-18(11-17)23(14-27-20(24)25-23)21(12-26-13-21)22(28-19)8-3-9-22/h2,4-7,10-11H,3,8-9,12-14H2,1H3,(H2,24,25) JSKKJULDTHCLMY-UHFFFAOYSA-N 149846 US8975415, RP127::US9242973, RP127 Beta-secretase 1 Homo sapiens 2270 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056455 252159374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361580 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(c1)C#N InChI=1S/C23H21N3O3/c24-11-15-3-1-4-16(9-15)17-5-6-19-18(10-17)23(14-28-20(25)26-23)21(12-27-13-21)22(29-19)7-2-8-22/h1,3-6,9-10H,2,7-8,12-14H2,(H2,25,26) OSDCIYPOSBDCJI-UHFFFAOYSA-N 149847 US8975415, RP128::US9242973, RP128 Beta-secretase 1 Homo sapiens 1680 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056490 252159375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361581 CCOc1cc(cc(c1)C(F)(F)F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C25H25F3N2O4/c1-2-32-18-9-16(8-17(11-18)25(26,27)28)15-4-5-20-19(10-15)24(14-33-21(29)30-24)22(12-31-13-22)23(34-20)6-3-7-23/h4-5,8-11H,2-3,6-7,12-14H2,1H3,(H2,29,30) NPVLNYWBAKGQLZ-UHFFFAOYSA-N 149848 US8975415, RP129::US9242973, RP129 Beta-secretase 1 Homo sapiens 2210 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056448 252159376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361582 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(F)ccc1F InChI=1S/C22H20F2N2O3/c23-14-3-4-17(24)15(9-14)13-2-5-18-16(8-13)22(12-28-19(25)26-22)20(10-27-11-20)21(29-18)6-1-7-21/h2-5,8-9H,1,6-7,10-12H2,(H2,25,26) FJXRFMBYVGLNFX-UHFFFAOYSA-N 149849 US8975415, RP130::US9242973, RP130 Beta-secretase 1 Homo sapiens 1870 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056464 252159377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361583 CCOc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H26N2O4/c1-2-28-18-6-3-5-16(11-18)17-7-8-20-19(12-17)24(15-29-21(25)26-24)22(13-27-14-22)23(30-20)9-4-10-23/h3,5-8,11-12H,2,4,9-10,13-15H2,1H3,(H2,25,26) SRCMYQVGJCIJMT-UHFFFAOYSA-N 149850 US8975415, RP131::US9242973, RP131 Beta-secretase 1 Homo sapiens 2020 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246737 252159378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361584 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(\C=C\C#N)c1 InChI=1S/C25H23N3O3/c26-11-2-5-17-4-1-6-18(12-17)19-7-8-21-20(13-19)25(16-30-22(27)28-25)23(14-29-15-23)24(31-21)9-3-10-24/h1-2,4-8,12-13H,3,9-10,14-16H2,(H2,27,28)/b5-2+ HZHQWAJHXXVIFY-GORDUTHDSA-N 149851 US8975415, RP132::US9242973, RP132 Beta-secretase 1 Homo sapiens 2450 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056482 252159379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361585 CCOc1cc(F)cc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H25FN2O4/c1-2-29-18-9-16(8-17(25)11-18)15-4-5-20-19(10-15)24(14-30-21(26)27-24)22(12-28-13-22)23(31-20)6-3-7-23/h4-5,8-11H,2-3,6-7,12-14H2,1H3,(H2,26,27) UJFGYZLSPBPCBC-UHFFFAOYSA-N 149852 US8975415, RP133::US9242973, RP133 Beta-secretase 1 Homo sapiens 1670 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056483 252159380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361586 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)c(c1)C#N InChI=1S/C23H20FN3O3/c24-18-4-2-14(8-16(18)10-25)15-3-5-19-17(9-15)23(13-29-20(26)27-23)21(11-28-12-21)22(30-19)6-1-7-22/h2-5,8-9H,1,6-7,11-13H2,(H2,26,27) MBTSGUSQJYKBNL-UHFFFAOYSA-N 149853 US8975415, RP134::US9242973, RP134 Beta-secretase 1 Homo sapiens 3630 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056484 252159381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361587 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)C1=CCCCC1 InChI=1S/C22H26N2O3/c23-19-24-22(14-26-19)17-11-16(15-5-2-1-3-6-15)7-8-18(17)27-21(9-4-10-21)20(22)12-25-13-20/h5,7-8,11H,1-4,6,9-10,12-14H2,(H2,23,24) GTVHCOSZWNNPFK-UHFFFAOYSA-N 149854 US8975415, RP135::US9242973, RP135 Beta-secretase 1 Homo sapiens 3270 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056485 252159382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361588 COc1ccc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23FN2O4/c1-27-15-4-5-18(24)16(10-15)14-3-6-19-17(9-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-19)7-2-8-22/h3-6,9-10H,2,7-8,11-13H2,1H3,(H2,25,26) DCFHBMJLBSTLIB-UHFFFAOYSA-N 149855 US8975415, RP136::US9242973, RP136 Beta-secretase 1 Homo sapiens 635 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025640 252159383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361589 COc1cccc(c1F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23FN2O4/c1-27-18-5-2-4-15(19(18)24)14-6-7-17-16(10-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-17)8-3-9-22/h2,4-7,10H,3,8-9,11-13H2,1H3,(H2,25,26) YWEZIZZHYAWWDG-UHFFFAOYSA-N 149856 US8975415, RP137::US9242973, RP137 Beta-secretase 1 Homo sapiens 773 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056475 252159384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361590 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1F InChI=1S/C22H20F2N2O3/c23-16-4-1-3-14(18(16)24)13-5-6-17-15(9-13)22(12-28-19(25)26-22)20(10-27-11-20)21(29-17)7-2-8-21/h1,3-6,9H,2,7-8,10-12H2,(H2,25,26) QSPCHUPRAPAASU-UHFFFAOYSA-N 149857 US8975415, RP138::US9242973, RP138 Beta-secretase 1 Homo sapiens 1670 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056486 252159385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361591 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(Cl)c1 InChI=1S/C21H21ClN2O3/c1-19(2)20(10-25-11-20)21(12-26-18(23)24-21)16-9-14(6-7-17(16)27-19)13-4-3-5-15(22)8-13/h3-9H,10-12H2,1-2H3,(H2,23,24) ZEAMOJNDSBWBMU-UHFFFAOYSA-N 149858 US8975415, RP139::US9242973, RP139 Beta-secretase 1 Homo sapiens 215 252 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056476 252159386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361592 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1 InChI=1S/C24H26N2O3/c1-22(2)23(12-27-13-23)24(14-28-21(25)26-24)19-11-18(8-9-20(19)29-22)17-5-3-4-16(10-17)15-6-7-15/h3-5,8-11,15H,6-7,12-14H2,1-2H3,(H2,25,26) UKEAETWEXZCSQW-UHFFFAOYSA-N 149859 US8975415, RP140::US9242973, RP140 Beta-secretase 1 Homo sapiens 389 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056491 252159387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361593 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C(F)(F)F InChI=1S/C22H21F3N2O3/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)30-19)13-4-3-5-15(8-13)22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) LRUHIAIIFSMMGU-UHFFFAOYSA-N 149860 US8975415, RP141::US9242973, RP141 Beta-secretase 1 Homo sapiens 903 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056456 252159388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361594 COc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H24N2O4/c1-20(2)21(11-26-12-21)22(13-27-19(23)24-22)17-10-15(7-8-18(17)28-20)14-5-4-6-16(9-14)25-3/h4-10H,11-13H2,1-3H3,(H2,23,24) NTYCQRSCQKAIKY-UHFFFAOYSA-N 149861 US8975415, RP142::US9242973, RP142 Beta-secretase 1 Homo sapiens 401 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246736 252159389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361595 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OCC(F)(F)F)c1 InChI=1S/C23H23F3N2O4/c1-20(2)21(10-29-11-21)22(12-31-19(27)28-22)17-9-15(6-7-18(17)32-20)14-4-3-5-16(8-14)30-13-23(24,25)26/h3-9H,10-13H2,1-2H3,(H2,27,28) UTEFABOYSUEMPY-UHFFFAOYSA-N 149862 US8975415, RP143::US9242973, RP143 Beta-secretase 1 Homo sapiens 1260 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056477 252159390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361596 CCOc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H26N2O4/c1-4-27-17-7-5-6-15(10-17)16-8-9-19-18(11-16)23(14-28-20(24)25-23)22(12-26-13-22)21(2,3)29-19/h5-11H,4,12-14H2,1-3H3,(H2,24,25) NKMRFFYBJGWRSX-UHFFFAOYSA-N 149863 US8975415, RP144::US9242973, RP144 Beta-secretase 1 Homo sapiens 879 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056465 252159391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361597 CCSc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H26N2O3S/c1-4-29-17-7-5-6-15(10-17)16-8-9-19-18(11-16)23(14-27-20(24)25-23)22(12-26-13-22)21(2,3)28-19/h5-11H,4,12-14H2,1-3H3,(H2,24,25) HCCGPLVNNLOSEH-UHFFFAOYSA-N 149864 US8975415, RP145::US9242973, RP145 Beta-secretase 1 Homo sapiens 933 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246738 252159392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361598 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25) VELBUBIDIGYSLN-UHFFFAOYSA-N 149865 US8975415, RP146::US9242973, RP146 Beta-secretase 1 Homo sapiens 188 226 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724313 252159393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361599 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(F)c1 InChI=1S/C21H20F2N2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25) GXWZNDMKCKULNS-UHFFFAOYSA-N 149866 US8975415, RP147::US9242973, RP147 Beta-secretase 1 Homo sapiens 621 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056466 252159394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361600 Cc1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23FN2O3/c1-13-6-15(8-16(23)7-13)14-4-5-18-17(9-14)22(12-27-19(24)25-22)21(10-26-11-21)20(2,3)28-18/h4-9H,10-12H2,1-3H3,(H2,24,25) MHGCEQNGZDTCOC-UHFFFAOYSA-N 149867 US8975415, RP148::US9242973, RP148 Beta-secretase 1 Homo sapiens 614 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056487 252159395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361601 Cc1cnc(Cl)c(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O3/c1-12-6-14(17(22)24-8-12)13-4-5-16-15(7-13)21(11-27-18(23)25-21)20(9-26-10-20)19(2,3)28-16/h4-8H,9-11H2,1-3H3,(H2,23,25) IEPVAYLEYUWVFH-UHFFFAOYSA-N 149870 US8975415, RP151::US9242973, RP151 Beta-secretase 1 Homo sapiens 1360 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246739 252159398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361602 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1Cl InChI=1S/C20H19Cl2N3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25) HCRMCIFUVDVQDP-UHFFFAOYSA-N 149871 US8975415, RP152::US9242973, RP152 Beta-secretase 1 Homo sapiens 688 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246740 252159399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361603 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cnc1Cl InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(22)7-24-16(13)21/h3-7H,8-10H2,1-2H3,(H2,23,25) NXVWQPVBYKAMTH-UHFFFAOYSA-N 149872 US8975415, RP153::US9242973, RP153 Beta-secretase 1 Homo sapiens 1130 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246741 252159400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361604 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1Cl InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24) JMVWCLLKZHGJJD-UHFFFAOYSA-N 149875 US8975415, RP156::US9242973, RP156 Beta-secretase 1 Homo sapiens 2610 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246742 252159403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361605 Cc1cc(cnc1F)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22FN3O3/c1-12-6-14(8-24-17(12)22)13-4-5-16-15(7-13)21(11-27-18(23)25-21)20(9-26-10-20)19(2,3)28-16/h4-8H,9-11H2,1-3H3,(H2,23,25) GHRVXMFUXOXBGC-UHFFFAOYSA-N 149876 US8975415, RP157::US9242973, RP157 Beta-secretase 1 Homo sapiens 2800 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246743 252159404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361606 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ncc1Cl InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)13-5-11(3-4-15(13)28-18)12-6-16(22)24-7-14(12)21/h3-7H,8-10H2,1-2H3,(H2,23,25) OGBRXVOOYQIKKV-UHFFFAOYSA-N 149877 US8975415, RP158::US9242973, RP158 Beta-secretase 1 Homo sapiens 930 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054974 252159405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361607 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccnc(Cl)c1Cl InChI=1S/C20H19Cl2N3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)13-7-11(3-4-14(13)28-18)12-5-6-24-16(22)15(12)21/h3-7H,8-10H2,1-2H3,(H2,23,25) SEAPOZKSVDOWPZ-UHFFFAOYSA-N 149878 US8975415, RP159::US9242973, RP159 Beta-secretase 1 Homo sapiens 2120 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054965 252159406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361608 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#N InChI=1S/C21H20N4O3/c1-19(2)20(10-26-11-20)21(12-27-18(23)25-21)16-6-14(3-4-17(16)28-19)15-5-13(7-22)8-24-9-15/h3-6,8-9H,10-12H2,1-2H3,(H2,23,25) LXZVBTDOKAHNDX-UHFFFAOYSA-N 149879 US8975415, RP160::US9242973, RP160 Beta-secretase 1 Homo sapiens 981 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246744 252159407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361609 COc1cc(c(F)cn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22FN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)14-6-12(4-5-16(14)29-19)13-7-17(26-3)24-8-15(13)22/h4-8H,9-11H2,1-3H3,(H2,23,25) FAPBBHHBSSJFBQ-UHFFFAOYSA-N 149880 US8975415, RP161::US9242973, RP161 Beta-secretase 1 Homo sapiens 1410 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246745 252159408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361610 COc1cc(c(Cl)cn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)14-6-12(4-5-16(14)29-19)13-7-17(26-3)24-8-15(13)22/h4-8H,9-11H2,1-3H3,(H2,23,25) AHFYJIKDCBGBJZ-UHFFFAOYSA-N 149881 US8975415, RP162::US9242973, RP162 Beta-secretase 1 Homo sapiens 1040 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054966 252159409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361611 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)C1=CCCCCC1 InChI=1S/C22H28N2O3/c1-20(2)21(12-25-13-21)22(14-26-19(23)24-22)17-11-16(9-10-18(17)27-20)15-7-5-3-4-6-8-15/h7,9-11H,3-6,8,12-14H2,1-2H3,(H2,23,24) YNAMZKYOBIDWHW-UHFFFAOYSA-N 149884 US8975415, RP165::US9242973, RP165 Beta-secretase 1 Homo sapiens 760 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054975 252159412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361612 CC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H28N2O3/c1-14-4-6-15(7-5-14)16-8-9-18-17(10-16)22(13-26-19(23)24-22)21(11-25-12-21)20(2,3)27-18/h6,8-10,14H,4-5,7,11-13H2,1-3H3,(H2,23,24) PQKQEKLALZXTJD-UHFFFAOYSA-N 149885 US8975415, RP166::US9242973, RP166 Beta-secretase 1 Homo sapiens 3630 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054970 252159413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361613 CCC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H26N2O3/c1-4-5-6-7-14-8-9-16-15(10-14)20(13-24-17(21)22-20)19(11-23-12-19)18(2,3)25-16/h6-10H,4-5,11-13H2,1-3H3,(H2,21,22)/b7-6+ DKGSWKREOJWJTP-VOTSOKGWSA-N 149886 US8975415, RP167::US9242973, RP167 Beta-secretase 1 Homo sapiens 869 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054971 252159414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361614 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(O)cc(F)c1 InChI=1S/C21H21FN2O4/c1-19(2)20(9-26-10-20)21(11-27-18(23)24-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(25)6-13/h3-8,25H,9-11H2,1-2H3,(H2,23,24) XLOPHQHRSBOSNE-UHFFFAOYSA-N 149888 US8975415, RP169::US9242973, RP169 Beta-secretase 1 Homo sapiens 1410 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054977 252159416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361615 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(ccc1F)C#N InChI=1S/C22H20FN3O3/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-8-14(4-6-18(16)29-20)15-7-13(9-24)3-5-17(15)23/h3-8H,10-12H2,1-2H3,(H2,25,26) GSTHBYLKRBWKOI-UHFFFAOYSA-N 149889 US8975415, RP170::US9242973, RP170 Beta-secretase 1 Homo sapiens 1000 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054972 252159417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361616 CNC(=O)c1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24FN3O4/c1-21(2)22(10-29-11-22)23(12-30-20(25)27-23)17-9-13(4-5-18(17)31-21)14-6-15(19(28)26-3)8-16(24)7-14/h4-9H,10-12H2,1-3H3,(H2,25,27)(H,26,28) UQPAONODJFHYMD-UHFFFAOYSA-N 149890 US8975415, RP171::US9242973, RP171 Beta-secretase 1 Homo sapiens 2240 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055976 252159418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361617 CCC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H30N2O3/c1-4-15-5-7-16(8-6-15)17-9-10-19-18(11-17)23(14-27-20(24)25-23)22(12-26-13-22)21(2,3)28-19/h7,9-11,15H,4-6,8,12-14H2,1-3H3,(H2,24,25) CTBXKHLRFQFYGO-UHFFFAOYSA-N 149891 US8975415, RP172::US9242973, RP172 Beta-secretase 1 Homo sapiens 2240 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246746 252159419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361618 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)15-6-12(3-4-16(15)27-18)13-5-14(21)8-23-7-13/h3-8H,9-11H2,1-2H3,(H2,22,24) SVHNMBSDZDNXOE-UHFFFAOYSA-N 149892 US8975415, RP173::US9242973, RP173 Beta-secretase 1 Homo sapiens 401 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055977 252159420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361619 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ccc2c1 149893 US8975415, RP174::US9242973, RP174 Beta-secretase 1 Homo sapiens 3350 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724314 252159421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361620 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cc[nH]c12 149894 US8975415, RP175::US9242973, RP175 Beta-secretase 1 Homo sapiens 3230 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056010 252159422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361621 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2nonc2c1 InChI=1S/C21H20N4O4/c1-19(2)20(9-26-10-20)21(11-27-18(22)23-21)14-7-12(4-6-17(14)28-19)13-3-5-15-16(8-13)25-29-24-15/h3-8H,9-11H2,1-2H3,(H2,22,23) PKUHVJVJHBYAMJ-UHFFFAOYSA-N 149897 US8975415, RP178::US9242973, RP178 Beta-secretase 1 Homo sapiens 1150 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055967 252159425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361622 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cccnc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)18-11-16(8-9-19(18)30-22)17-7-3-5-15-6-4-10-26-20(15)17/h3-11H,12-14H2,1-2H3,(H2,25,27) VJBWMBRNRXJSBA-UHFFFAOYSA-N 149898 US8975415, RP179::US9242973, RP179 Beta-secretase 1 Homo sapiens 3240 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056005 252159426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361623 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cnccc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)19-10-15(6-7-20(19)30-22)17-5-3-4-16-11-26-9-8-18(16)17/h3-11H,12-14H2,1-2H3,(H2,25,27) BKDQSRMNJPVQTC-UHFFFAOYSA-N 149899 US8975415, RP180::US9242973, RP180 Beta-secretase 1 Homo sapiens 2030 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246747 252159427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361624 COC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H24N2O4/c1-17(2)18(10-23-11-18)19(12-24-16(20)21-19)14-9-13(5-4-8-22-3)6-7-15(14)25-17/h4-7,9H,8,10-12H2,1-3H3,(H2,20,21)/b5-4+ INLZNNXNRQPRBS-SNAWJCMRSA-N 149900 US8975415, RP181::US9242973, RP181 Beta-secretase 1 Homo sapiens 2590 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246748 252159428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361625 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)31-19)13-4-3-5-15(8-13)30-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) QIAHDRDUKXPIPE-UHFFFAOYSA-N 149902 US8975415, RP183::US9242973, RP183 Beta-secretase 1 Homo sapiens 1080 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246749 252159430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361626 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccccc1OC(F)(F)F InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)15-9-13(7-8-17(15)30-19)14-5-3-4-6-16(14)31-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) DXUBDEWFIYBFBX-UHFFFAOYSA-N 149903 US8975415, RP184::US9242973, RP184 Beta-secretase 1 Homo sapiens 2820 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056337 252159431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361627 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1c(F)ccc(F)c1F InChI=1S/C21H19F3N2O3/c1-19(2)20(8-27-9-20)21(10-28-18(25)26-21)12-7-11(3-6-15(12)29-19)16-13(22)4-5-14(23)17(16)24/h3-7H,8-10H2,1-2H3,(H2,25,26) MDDVTIQXTKOMRK-UHFFFAOYSA-N 149904 US8975415, RP185::US9242973, RP185 Beta-secretase 1 Homo sapiens 2050 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056333 252159432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361628 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc(OC(F)F)cc1 InChI=1S/C22H22F2N2O4/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-9-14(5-8-17(16)30-20)13-3-6-15(7-4-13)29-18(23)24/h3-9,18H,10-12H2,1-2H3,(H2,25,26) DBMWNPACPWCFOJ-UHFFFAOYSA-N 149906 US8975415, RP187::US9242973, RP187 Beta-secretase 1 Homo sapiens 3160 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056335 252159434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361629 NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 InChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(3-8)14(7-21-11(18)19-14)12(6-20-10)4-13(16,17)5-12/h1-3H,4-7H2,(H2,18,19) UWKRYKVCCZEOQP-UHFFFAOYSA-N 149907 US8975415, RP188::US9242973, RP188 Beta-secretase 1 Homo sapiens 50600 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056348 252159435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361630 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 InChI=1S/C18H16BrN5O3/c19-10-6-21-14(22-7-10)15(25)23-11-1-2-13-12(5-11)18(9-27-16(20)24-18)17(3-4-17)8-26-13/h1-2,5-7H,3-4,8-9H2,(H2,20,24)(H,23,25) RUPHOSKJXJYHAD-UHFFFAOYSA-N 149908 US8975415, RP189::US9242973, RP189 Beta-secretase 1 Homo sapiens 623 661 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056336 252159436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361631 CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C20H20BrN5O4/c1-18(2)19(8-28-9-19)20(10-29-17(22)26-20)13-5-12(3-4-14(13)30-18)25-16(27)15-23-6-11(21)7-24-15/h3-7H,8-10H2,1-2H3,(H2,22,26)(H,25,27) OKNLKKUCXCACGI-UHFFFAOYSA-N 149909 US8975415, RP190::US9242973, 190 Beta-secretase 1 Homo sapiens 83.5 125 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025105 252159437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361632 Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N InChI=1S/C21H19N5O3/c1-12-6-13(8-22)9-24-17(12)18(27)25-14-2-3-16-15(7-14)21(11-29-19(23)26-21)20(4-5-20)10-28-16/h2-3,6-7,9H,4-5,10-11H2,1H3,(H2,23,26)(H,25,27) LUKKVICWYPMUPG-UHFFFAOYSA-N 149910 US8975415, RP191::US9242973, RP191 Beta-secretase 1 Homo sapiens 215 248 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248978 252159438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361633 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1 InChI=1S/C20H16ClN5O3/c21-14-5-11(7-22)8-24-16(14)17(27)25-12-1-2-15-13(6-12)20(10-29-18(23)26-20)19(3-4-19)9-28-15/h1-2,5-6,8H,3-4,9-10H2,(H2,23,26)(H,25,27) OBYNGUKQVYJXLG-UHFFFAOYSA-N 149911 US8975415, RP192::US9242973, RP192 Beta-secretase 1 Homo sapiens 280 318 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248994 252159439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361634 COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25) IPNOFVHQRLOFQU-UHFFFAOYSA-N 149912 US8975415, RP193::US9242973, RP193 Beta-secretase 1 Homo sapiens 1040 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056104 252159440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361635 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H19ClN4O3/c1-11-6-12(21)8-23-16(11)17(26)24-13-2-3-15-14(7-13)20(10-28-18(22)25-20)19(4-5-19)9-27-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,22,25)(H,24,26) UGPKGDXAPPRVIR-UHFFFAOYSA-N 149913 US8975415, RP194::US9242973, RP194 Beta-secretase 1 Homo sapiens 313 349 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056343 252159441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361636 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23ClN4O4/c1-12-6-13(23)8-25-17(12)18(28)26-14-4-5-16-15(7-14)22(11-30-19(24)27-22)21(9-29-10-21)20(2,3)31-16/h4-8H,9-11H2,1-3H3,(H2,24,27)(H,26,28) WTTPTTMLIGTSRC-UHFFFAOYSA-N 149914 US8975415, RP195::US9242973, 195 Beta-secretase 1 Homo sapiens 64.5 109 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548944 252159442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361637 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1 InChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26) FCSDLAQZROWWFP-UHFFFAOYSA-N 149915 US8975415, RP196::US9242973, RP196 Beta-secretase 1 Homo sapiens 342 380 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248997 252159443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361638 CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)15-7-14(4-6-17(15)31-20)26-18(28)16-5-3-13(8-23)9-25-16/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28) GPWZMCGYHYETLO-UHFFFAOYSA-N 149916 US8975415, RP197::US9242973, 197 Beta-secretase 1 Homo sapiens 72 118 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548945 252159444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361639 NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CS1 InChI=1S/C18H16F2N4OS/c19-17(20)9-26-15(21)24-18(17)13-5-11(12-6-22-10-23-7-12)1-2-14(13)25-8-16(18)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,21,24) UMLIDFYGFDMIGZ-UHFFFAOYSA-N 149917 US8975415, RP198::US9242973, RP198 Beta-secretase 1 Homo sapiens 14900 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724315 252159445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361640 NC1=NC2(c3cccc(F)c13)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C22H17FN4O/c23-17-3-1-2-15-19(17)20(24)27-22(15)16-8-13(14-9-25-12-26-10-14)4-5-18(16)28-11-21(22)6-7-21/h1-5,8-10,12H,6-7,11H2,(H2,24,27) LEFCQXUNQUOKDG-UHFFFAOYSA-N 149918 US8975415, RP199::US9242973, RP199 Beta-secretase 1 Homo sapiens 736 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056126 252159446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361641 NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28) STMXAUVFLJMWDN-UHFFFAOYSA-N 149919 US8975415, RP200::US8975415, RP202::US9242973, RP202 Beta-secretase 1 Homo sapiens 92.1 128 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246750 252159447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361642 CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31) UZRCBYZWOAYXCE-UHFFFAOYSA-N 149920 US8975415, RP201::US8975415, RP203::US9242973, RP203 Beta-secretase 1 Homo sapiens 71.1 113 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056157 252159448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361643 NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28) STMXAUVFLJMWDN-UHFFFAOYSA-N 149919 US8975415, RP200::US8975415, RP202::US9242973, RP202 Beta-secretase 1 Homo sapiens 113 145 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246750 252159447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361644 CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31) UZRCBYZWOAYXCE-UHFFFAOYSA-N 149920 US8975415, RP201::US8975415, RP203::US9242973, RP203 Beta-secretase 1 Homo sapiens 67.6 109 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056157 252159448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361645 NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25) MSVXPEWIJQOLDG-UHFFFAOYSA-N 149923 US8975415, RP204::US8975415, RP207::US9242973, RP207 Beta-secretase 1 Homo sapiens 388 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246751 252159449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361646 CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C25H25N3O3/c1-2-3-17-8-19(12-27-11-17)18-6-7-21-20(10-18)25(15-30-23(26)28-25)24(13-29-14-24)22(31-21)9-16-4-5-16/h6-8,10-12,16,22H,4-5,9,13-15H2,1H3,(H2,26,28) KJZOKUPYIWIFKS-UHFFFAOYSA-N 149924 US8975415, RP205::US9242973, RP205 Beta-secretase 1 Homo sapiens 82.5 126 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056128 252159450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361647 NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CO1 InChI=1S/C18H16F2N4O2/c19-17(20)9-26-15(21)24-18(17)13-5-11(12-6-22-10-23-7-12)1-2-14(13)25-8-16(18)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,21,24) QZZCXMLMCPDROH-UHFFFAOYSA-N 149925 US8975415, RP206::US9242973, RP206 Beta-secretase 1 Homo sapiens 4910 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056130 252159451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361648 NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25) MSVXPEWIJQOLDG-UHFFFAOYSA-N 149923 US8975415, RP204::US8975415, RP207::US9242973, RP207 Beta-secretase 1 Homo sapiens 460 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246751 252159449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361649 NC1=NC2(CO1)c1cc(ccc1OCC21CC(F)(F)C1)-c1cncnc1 InChI=1S/C18H16F2N4O2/c19-17(20)6-16(7-17)8-25-14-2-1-11(12-4-22-10-23-5-12)3-13(14)18(16)9-26-15(21)24-18/h1-5,10H,6-9H2,(H2,21,24) IBQLKXDWVJSRDU-UHFFFAOYSA-N 149927 US8975415, RP208::US9242973, RP208 Beta-secretase 1 Homo sapiens 7760 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056127 252159452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361650 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1 InChI=1S/C21H21N3O3/c22-18-24-21(13-26-18)16-9-14(15-3-1-8-23-10-15)4-5-17(16)27-20(6-2-7-20)19(21)11-25-12-19/h1,3-5,8-10H,2,6-7,11-13H2,(H2,22,24) MJGALTWQDCBMQD-UHFFFAOYSA-N 149928 US8975415, RP209::US9242973, RP209 Beta-secretase 1 Homo sapiens 2000 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056129 252159453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361651 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C(F)(F)F InChI=1S/C22H20F3N3O3/c23-22(24,25)17-14(3-1-8-27-17)13-4-5-16-15(9-13)21(12-30-18(26)28-21)19(10-29-11-19)20(31-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,26,28) XPOQBFAIFSUYIN-UHFFFAOYSA-N 149931 US8975415, RP212::US9242973, RP212 Beta-secretase 1 Homo sapiens 17600 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056510 252159456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361652 NC1=NC2(COC1)c1cc(Br)ccc1OCC21CC1 InChI=1S/C14H15BrN2O2/c15-9-1-2-11-10(5-9)14(8-18-6-12(16)17-14)13(3-4-13)7-19-11/h1-2,5H,3-4,6-8H2,(H2,16,17) VDIQADCRFALOMC-UHFFFAOYSA-N 149933 US8975415, RP214::US9242973, RP214 Beta-secretase 1 Homo sapiens 40300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025002 252159458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361653 NC1=NC2(COC1)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C18H18N4O2/c19-16-8-23-10-18(22-16)14-5-12(13-6-20-11-21-7-13)1-2-15(14)24-9-17(18)3-4-17/h1-2,5-7,11H,3-4,8-10H2,(H2,19,22) AMQPJZMLPSZGED-UHFFFAOYSA-N 149934 US8975415, RP215::US9242973, RP215 Beta-secretase 1 Homo sapiens 1210 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025994 252159459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361654 NC1=NC2(c3cc(Br)ccc3OCC22CC2)C(F)(F)CO1 InChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(5-8)14(12(3-4-12)6-20-10)13(16,17)7-21-11(18)19-14/h1-2,5H,3-4,6-7H2,(H2,18,19) IZCQKTPKYGLDEA-UHFFFAOYSA-N 149935 US8975415, RP216::US9242973, RP216 Beta-secretase 1 Homo sapiens 55800 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90026141 252159460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361655 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 INWIVMOTHPFWNU-NRFANRHFSA-N 149936 US8975415, 218::US9242973, 218 Beta-secretase 1 Homo sapiens 10.3 44.7 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72202470 252159461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361656 CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 CWCLNAMDVBTHAU-NRFANRHFSA-N 149937 US8975415, 219::US9242973, 219 Beta-secretase 1 Homo sapiens 10.2 44.4 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90236720 252159462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361657 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1 WZWNQLAVZZUSHH-NRFANRHFSA-N 149938 US8975415, 220::US9242973, 220 Beta-secretase 1 Homo sapiens 42.9 76.5 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548948 252159463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361658 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21ClN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 SUARPGUFOBBSJS-NRFANRHFSA-N 149939 US8975415, 221::US9242973, 221 Beta-secretase 1 Homo sapiens 37.8 81.8 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056502 252159464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361659 CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 KFVQLLMGMYDUOM-NRFANRHFSA-N 149940 US8975415, 222::US9242973, 222 Beta-secretase 1 Homo sapiens 91.5 138 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056497 252159465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361660 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O4/c1-19(2)20(6-7-20)21(11-29-18(22)26-21)13-8-12(4-5-15(13)30-19)25-17(27)14-9-24-16(28-3)10-23-14/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1 FVLGCKAZTKQUNT-NRFANRHFSA-N 149941 US8975415, 223::US9242973, 223 Beta-secretase 1 Homo sapiens 61.2 99.1 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724317 252159466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361661 CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 InChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1 UUOAKQJQRFDOFS-NRFANRHFSA-N 149942 US8975415, 224::US9242973, 224 Beta-secretase 1 Homo sapiens 52.7 91.4 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724318 252159467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361662 COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27) WZWNQLAVZZUSHH-UHFFFAOYSA-N 149943 US8975415, 227::US9242973, 227 Beta-secretase 1 Homo sapiens 79.2 107 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724320 252159468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361663 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m1/s1 INWIVMOTHPFWNU-OAQYLSRUSA-N 149944 US8975415, 228a::US9242973, 228a Beta-secretase 1 Homo sapiens 30200 30300 4.4 25.00 C US Patent 10.7270/Q29W0D9C aid1802180 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548947 252159469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361664 CC#Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-16-8-15(6-7-23-16)14-4-5-18-17(9-14)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) ZANYLJKRBCWFFU-UHFFFAOYSA-N 149742 US8975415, RP20::US9242973, RP20 Beta-secretase 1 Homo sapiens 2710 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056192 252159279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361665 CC#Cc1cc(ncn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H18N4O3/c1-2-3-14-7-16(23-12-22-14)13-4-5-17-15(6-13)20(11-27-18(21)24-20)19(10-26-17)8-25-9-19/h4-7,12H,8-11H2,1H3,(H2,21,24) CLLYOVRVGPCBHE-UHFFFAOYSA-N 149743 US8975415, RP21::US9242973, RP21 Beta-secretase 1 Homo sapiens 1350 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056185 252159280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361666 CC#Cc1cncc(n1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H18N4O3/c1-2-3-14-7-22-8-16(23-14)13-4-5-17-15(6-13)20(12-27-18(21)24-20)19(11-26-17)9-25-10-19/h4-8H,9-12H2,1H3,(H2,21,24) CCUPTYVUDMDNRW-UHFFFAOYSA-N 149744 US8975415, RP22::US9242973, RP22 Beta-secretase 1 Homo sapiens 2600 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246705 252159281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361667 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)C1=CCOCC1 InChI=1S/C18H20N2O4/c19-16-20-18(11-24-16)14-7-13(12-3-5-21-6-4-12)1-2-15(14)23-10-17(18)8-22-9-17/h1-3,7H,4-6,8-11H2,(H2,19,20) URKSNHXMPKDXME-UHFFFAOYSA-N 149746 US8975415, RP24::US9242973, RP24 Beta-secretase 1 Homo sapiens 32900 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056188 252159283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361668 Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N3O3/c1-12-6-14(4-5-21-12)13-2-3-16-15(7-13)19(11-25-17(20)22-19)18(10-24-16)8-23-9-18/h2-7H,8-11H2,1H3,(H2,20,22) APHMMXANWQGNRL-UHFFFAOYSA-N 149759 US8975415, RP37::US9242973, RP37 Beta-secretase 1 Homo sapiens 55400 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056449 252159296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361669 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]cc(Cl)c2c1 149781 US8975415, RP62::US9242973, RP62 Beta-secretase 1 Homo sapiens 1330 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90249017 252159317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361670 COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)15-8-13(4-5-17(15)28-19)16-9-14(25-3)6-7-23-16/h4-9H,10-12H2,1-3H3,(H2,22,24) VODDOGVAQARPID-UHFFFAOYSA-N 149784 US8975415, RP65::US9242973, RP65 Beta-secretase 1 Homo sapiens 388 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724309 252159320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361671 Cc1cn2ccc(cc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H24N4O3/c1-15-11-28-8-5-17(10-20(28)26-15)16-3-4-19-18(9-16)24(14-30-21(25)27-24)22(12-29-13-22)23(31-19)6-2-7-23/h3-5,8-11H,2,6-7,12-14H2,1H3,(H2,25,27) YXGIXUOSNXEEFY-UHFFFAOYSA-N 149785 US8975415, RP66::US9242973, RP66 Beta-secretase 1 Homo sapiens 135000 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056473 252159321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361672 Cc1cn2cc(ccc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H24N4O3/c1-15-10-28-11-17(4-6-20(28)26-15)16-3-5-19-18(9-16)24(14-30-21(25)27-24)22(12-29-13-22)23(31-19)7-2-8-23/h3-6,9-11H,2,7-8,12-14H2,1H3,(H2,25,27) JKGOTVHTXJKXLS-UHFFFAOYSA-N 149786 US8975415, RP67::US9242973, RP67 Beta-secretase 1 Homo sapiens 96500 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90017611 252159322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361673 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cc(Cl)cnc1F InChI=1S/C18H15ClFN3O2/c19-11-6-12(15(20)22-7-11)10-1-2-14-13(5-10)18(9-25-16(21)23-18)17(3-4-17)8-24-14/h1-2,5-7H,3-4,8-9H2,(H2,21,23) YLFDDYWNYJPIAU-UHFFFAOYSA-N 149823 US8975415, RP104::US9242973, RP104 Beta-secretase 1 Homo sapiens 1130 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056260 252159353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361674 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 316 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361675 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ccn1 InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-7-12(3-4-16(14)27-18)15-8-13(21)5-6-23-15/h3-8H,9-11H2,1-2H3,(H2,22,24) UNACISPQELMJNE-UHFFFAOYSA-N 149868 US8975415, RP149::US9242973, RP149 Beta-secretase 1 Homo sapiens 1593 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056467 252159396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361676 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)n1 InChI=1S/C19H19ClN4O3/c1-17(2)18(8-25-9-18)19(10-26-16(21)24-19)12-5-11(3-4-14(12)27-17)13-6-22-7-15(20)23-13/h3-7H,8-10H2,1-2H3,(H2,21,24) ZRRKOIHRTBFWMQ-UHFFFAOYSA-N 149869 US8975415, RP150::US9242973, RP150 Beta-secretase 1 Homo sapiens 759 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056468 252159397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361677 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25) GETMSLAWJGDJFJ-UHFFFAOYSA-N 149873 US8975415, RP154::US9242973, RP154 Beta-secretase 1 Homo sapiens 313 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056479 252159401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361678 COc1ncc(Cl)cc1-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H22ClN3O4/c1-19(2)20(9-27-10-20)21(11-28-18(23)25-21)15-6-12(4-5-16(15)29-19)14-7-13(22)8-24-17(14)26-3/h4-8H,9-11H2,1-3H3,(H2,23,25) SBSSYSBKPBOHJP-UHFFFAOYSA-N 149874 US8975415, RP155::US9242973, RP155 Beta-secretase 1 Homo sapiens 786 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056470 252159402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361679 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccnc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-7-12(3-4-15(14)27-18)13-5-6-23-16(21)8-13/h3-8H,9-11H2,1-2H3,(H2,22,24) WMXJIIQTWLMWSN-UHFFFAOYSA-N 149882 US8975415, RP163::US9242973, RP163 Beta-secretase 1 Homo sapiens 1064 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054967 252159410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361680 COc1cc(ccn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)15-8-13(4-5-16(15)28-19)14-6-7-23-17(9-14)25-3/h4-9H,10-12H2,1-3H3,(H2,22,24) KHXXKWQBUJEQDU-UHFFFAOYSA-N 149883 US8975415, RP164::US9242973, RP164 Beta-secretase 1 Homo sapiens 2314 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054969 252159411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361681 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cnc2[nH]ccc2c1 149887 US8975415, RP168::US9242973, RP168 Beta-secretase 1 Homo sapiens 760 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90248935 252159415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361682 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(O)cc(F)c1 InChI=1S/C21H21FN2O4/c1-19(2)20(9-26-10-20)21(11-27-18(23)24-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(25)6-13/h3-8,25H,9-11H2,1-2H3,(H2,23,24) XLOPHQHRSBOSNE-UHFFFAOYSA-N 149888 US8975415, RP169::US9242973, RP169 Beta-secretase 1 Homo sapiens 859 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054977 252159416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361683 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(ccc1F)C#N InChI=1S/C22H20FN3O3/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-8-14(4-6-18(16)29-20)15-7-13(9-24)3-5-17(15)23/h3-8H,10-12H2,1-2H3,(H2,25,26) GSTHBYLKRBWKOI-UHFFFAOYSA-N 149889 US8975415, RP170::US9242973, RP170 Beta-secretase 1 Homo sapiens 588 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90054972 252159417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361684 CNC(=O)c1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H24FN3O4/c1-21(2)22(10-29-11-22)23(12-30-20(25)27-23)17-9-13(4-5-18(17)31-21)14-6-15(19(28)26-3)8-16(24)7-14/h4-9H,10-12H2,1-3H3,(H2,25,27)(H,26,28) UQPAONODJFHYMD-UHFFFAOYSA-N 149890 US8975415, RP171::US9242973, RP171 Beta-secretase 1 Homo sapiens 3040 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055976 252159418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361685 CCC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H30N2O3/c1-4-15-5-7-16(8-6-15)17-9-10-19-18(11-17)23(14-27-20(24)25-23)22(12-26-13-22)21(2,3)28-19/h7,9-11,15H,4-6,8,12-14H2,1-3H3,(H2,24,25) CTBXKHLRFQFYGO-UHFFFAOYSA-N 149891 US8975415, RP172::US9242973, RP172 Beta-secretase 1 Homo sapiens 2160 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246746 252159419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361686 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)15-6-12(3-4-16(15)27-18)13-5-14(21)8-23-7-13/h3-8H,9-11H2,1-2H3,(H2,22,24) SVHNMBSDZDNXOE-UHFFFAOYSA-N 149892 US8975415, RP173::US9242973, RP173 Beta-secretase 1 Homo sapiens 239 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055977 252159420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361687 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ccc2c1 149893 US8975415, RP174::US9242973, RP174 Beta-secretase 1 Homo sapiens 2180 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724314 252159421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361688 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cc[nH]c12 149894 US8975415, RP175::US9242973, RP175 Beta-secretase 1 Homo sapiens 1550 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056010 252159422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361689 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ncc12 149895 US8975415, RP176::US9242973, RP176 Beta-secretase 1 Homo sapiens 994 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055965 252159423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361690 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ncc2c1 149896 US8975415, RP177::US9242973, RP177 Beta-secretase 1 Homo sapiens 2120 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055966 252159424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361691 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2nonc2c1 InChI=1S/C21H20N4O4/c1-19(2)20(9-26-10-20)21(11-27-18(22)23-21)14-7-12(4-6-17(14)28-19)13-3-5-15-16(8-13)25-29-24-15/h3-8H,9-11H2,1-2H3,(H2,22,23) PKUHVJVJHBYAMJ-UHFFFAOYSA-N 149897 US8975415, RP178::US9242973, RP178 Beta-secretase 1 Homo sapiens 747 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055967 252159425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361692 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cccnc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)18-11-16(8-9-19(18)30-22)17-7-3-5-15-6-4-10-26-20(15)17/h3-11H,12-14H2,1-2H3,(H2,25,27) VJBWMBRNRXJSBA-UHFFFAOYSA-N 149898 US8975415, RP179::US9242973, RP179 Beta-secretase 1 Homo sapiens 2060 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056005 252159426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361693 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cnccc12 InChI=1S/C24H23N3O3/c1-22(2)23(12-28-13-23)24(14-29-21(25)27-24)19-10-15(6-7-20(19)30-22)17-5-3-4-16-11-26-9-8-18(16)17/h3-11H,12-14H2,1-2H3,(H2,25,27) BKDQSRMNJPVQTC-UHFFFAOYSA-N 149899 US8975415, RP180::US9242973, RP180 Beta-secretase 1 Homo sapiens 1770 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246747 252159427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361694 COC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H24N2O4/c1-17(2)18(10-23-11-18)19(12-24-16(20)21-19)14-9-13(5-4-8-22-3)6-7-15(14)25-17/h4-7,9H,8,10-12H2,1-3H3,(H2,20,21)/b5-4+ INLZNNXNRQPRBS-SNAWJCMRSA-N 149900 US8975415, RP181::US9242973, RP181 Beta-secretase 1 Homo sapiens 2130 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246748 252159428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361695 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2OCOc2c1 InChI=1S/C22H22N2O5/c1-20(2)21(9-25-10-21)22(11-26-19(23)24-22)15-7-13(3-5-16(15)29-20)14-4-6-17-18(8-14)28-12-27-17/h3-8H,9-12H2,1-2H3,(H2,23,24) WDLWOGRZCRSSNH-UHFFFAOYSA-N 149901 US8975415, RP182::US9242973, RP182 Beta-secretase 1 Homo sapiens 1450 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055993 252159429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361696 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)16-9-14(6-7-17(16)31-19)13-4-3-5-15(8-13)30-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) QIAHDRDUKXPIPE-UHFFFAOYSA-N 149902 US8975415, RP183::US9242973, RP183 Beta-secretase 1 Homo sapiens 880 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246749 252159430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361697 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccccc1OC(F)(F)F InChI=1S/C22H21F3N2O4/c1-19(2)20(10-28-11-20)21(12-29-18(26)27-21)15-9-13(7-8-17(15)30-19)14-5-3-4-6-16(14)31-22(23,24)25/h3-9H,10-12H2,1-2H3,(H2,26,27) DXUBDEWFIYBFBX-UHFFFAOYSA-N 149903 US8975415, RP184::US9242973, RP184 Beta-secretase 1 Homo sapiens 2720 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056337 252159431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361698 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1c(F)ccc(F)c1F InChI=1S/C21H19F3N2O3/c1-19(2)20(8-27-9-20)21(10-28-18(25)26-21)12-7-11(3-6-15(12)29-19)16-13(22)4-5-14(23)17(16)24/h3-7H,8-10H2,1-2H3,(H2,25,26) MDDVTIQXTKOMRK-UHFFFAOYSA-N 149904 US8975415, RP185::US9242973, RP185 Beta-secretase 1 Homo sapiens 1270 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056333 252159432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361699 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ccc12 149905 US8975415, RP186::US9242973, RP186 Beta-secretase 1 Homo sapiens 2420 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056339 252159433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361700 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc(OC(F)F)cc1 InChI=1S/C22H22F2N2O4/c1-20(2)21(10-27-11-21)22(12-28-19(25)26-22)16-9-14(5-8-17(16)30-20)13-3-6-15(7-4-13)29-18(23)24/h3-9,18H,10-12H2,1-2H3,(H2,25,26) DBMWNPACPWCFOJ-UHFFFAOYSA-N 149906 US8975415, RP187::US9242973, RP187 Beta-secretase 1 Homo sapiens 1920 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056335 252159434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361701 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc2ccccc12 InChI=1S/C25H23N3O3/c26-22-28-25(15-30-22)20-10-16(19-12-27-11-17-4-1-2-5-18(17)19)6-7-21(20)31-24(8-3-9-24)23(25)13-29-14-23/h1-2,4-7,10-12H,3,8-9,13-15H2,(H2,26,28) NFVBGAGTKRCWGE-UHFFFAOYSA-N 149929 US8975415, RP210::US9242973, RP210 Beta-secretase 1 Homo sapiens 4950 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246752 252159454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361702 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cnc2ccccc2c1 InChI=1S/C25H23N3O3/c26-22-28-25(15-30-22)19-11-16(18-10-17-4-1-2-5-20(17)27-12-18)6-7-21(19)31-24(8-3-9-24)23(25)13-29-14-23/h1-2,4-7,10-12H,3,8-9,13-15H2,(H2,26,28) NXLOZNMRWJNNJD-UHFFFAOYSA-N 149930 US8975415, RP211::US9242973, RP211 Beta-secretase 1 Homo sapiens 19400 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246753 252159455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361703 Cn1cc2cc(ccc2n1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H20N4O2/c1-25-10-15-8-13(2-4-17(15)24-25)14-3-5-18-16(9-14)21(12-27-19(22)23-21)20(6-7-20)11-26-18/h2-5,8-10H,6-7,11-12H2,1H3,(H2,22,23) LYIYOHNNHUSMFQ-UHFFFAOYSA-N 149932 US8975415, RP213::US9242973, RP213 Beta-secretase 1 Homo sapiens 39600 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056496 252159457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361704 CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 CWCLNAMDVBTHAU-NRFANRHFSA-N 149937 US8975415, 219::US9242973, 219 Beta-secretase 1 Homo sapiens 41.8 US Patent 10.7270/Q29W0D9C aid1802181 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90236720 252159462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361705 COCc1cnn(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H24N4O4/c1-26-10-14-8-23-25(9-14)15-3-4-17-16(7-15)21(13-28-18(22)24-21)19(11-27-12-19)20(29-17)5-2-6-20/h3-4,7-9H,2,5-6,10-13H2,1H3,(H2,22,24) NRTIHHVWKLDASP-UHFFFAOYSA-N 149718 US8975415, RP4::US9242973, RP4 Beta-secretase 1 Homo sapiens 7200 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055955 252159262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361706 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-17-24-20(11-26-17)15-6-13(14-7-22-12-23-8-14)2-3-16(15)27-19(4-1-5-19)18(20)9-25-10-18/h2-3,6-8,12H,1,4-5,9-11H2,(H2,21,24) APMDRJOSPMXZBV-UHFFFAOYSA-N 149719 US8975415, RP5::US9242973, RP5 Beta-secretase 1 Homo sapiens 590 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246703 252159263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361707 CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O3/c1-13(2)14(6-19-7-14)15(8-20-12(17)18-15)10-5-9(16)3-4-11(10)21-13/h3-5H,6-8H2,1-2H3,(H2,17,18) BFCFOLFRUMYREH-UHFFFAOYSA-N 149720 US8975415, RP6::US9242973, RP6 Beta-secretase 1 Homo sapiens 3900 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724229 252159264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361708 NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 InChI=1S/C20H19BrN2O3/c21-14-6-7-16-15(9-14)20(12-25-18(22)23-20)19(10-24-11-19)17(26-16)8-13-4-2-1-3-5-13/h1-7,9,17H,8,10-12H2,(H2,22,23) GSLXZIRPXIIFQZ-UHFFFAOYSA-N 149735 US8975415, RP15a::US8975415, RP15b::US9242973, RP15b Beta-secretase 1 Homo sapiens 1100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056190 252159274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361709 NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 InChI=1S/C20H19BrN2O3/c21-14-6-7-16-15(9-14)20(12-25-18(22)23-20)19(10-24-11-19)17(26-16)8-13-4-2-1-3-5-13/h1-7,9,17H,8,10-12H2,(H2,22,23) GSLXZIRPXIIFQZ-UHFFFAOYSA-N 149735 US8975415, RP15a::US8975415, RP15b::US9242973, RP15b Beta-secretase 1 Homo sapiens 440 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056190 252159274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361710 NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 InChI=1S/C17H19BrN2O3/c18-11-3-4-13-12(6-11)17(9-22-15(19)20-17)16(7-21-8-16)14(23-13)5-10-1-2-10/h3-4,6,10,14H,1-2,5,7-9H2,(H2,19,20) FKWYDOXONAHPDE-UHFFFAOYSA-N 149737 US8975415, RP16a::US8975415, RP16b::US9242973, RP16b Beta-secretase 1 Homo sapiens 4800 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056184 252159275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361711 COCC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H21N3O4/c1-26-6-2-3-15-7-17(10-24-9-15)16-4-5-19-18(8-16)22(14-29-20(23)25-22)21(13-28-19)11-27-12-21/h4-5,7-10H,6,11-14H2,1H3,(H2,23,25) UAKHLUDEERHAIR-UHFFFAOYSA-N 149741 US8975415, RP19::US9242973, RP19 Beta-secretase 1 Homo sapiens 430 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724293 252159278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361712 CC#Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-16-8-15(6-7-23-16)14-4-5-18-17(9-14)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) ZANYLJKRBCWFFU-UHFFFAOYSA-N 149742 US8975415, RP20::US9242973, RP20 Beta-secretase 1 Homo sapiens 580 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056192 252159279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361713 CC#Cc1cc(ncn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H18N4O3/c1-2-3-14-7-16(23-12-22-14)13-4-5-17-15(6-13)20(11-27-18(21)24-20)19(10-26-17)8-25-9-19/h4-7,12H,8-11H2,1H3,(H2,21,24) CLLYOVRVGPCBHE-UHFFFAOYSA-N 149743 US8975415, RP21::US9242973, RP21 Beta-secretase 1 Homo sapiens 410 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056185 252159280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361714 CC#Cc1cncc(n1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H18N4O3/c1-2-3-14-7-22-8-16(23-14)13-4-5-17-15(6-13)20(12-27-18(21)24-20)19(11-26-17)9-25-10-19/h4-8H,9-12H2,1H3,(H2,21,24) CCUPTYVUDMDNRW-UHFFFAOYSA-N 149744 US8975415, RP22::US9242973, RP22 Beta-secretase 1 Homo sapiens 2900 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246705 252159281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361715 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncc(c1)C#C InChI=1S/C20H17N3O3/c1-2-13-5-15(8-22-7-13)14-3-4-17-16(6-14)20(12-26-18(21)23-20)19(11-25-17)9-24-10-19/h1,3-8H,9-12H2,(H2,21,23) DIRWESJSDUWFGE-UHFFFAOYSA-N 149745 US8975415, RP23::US9242973, RP23 Beta-secretase 1 Homo sapiens 900 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056186 252159282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361716 COc1cccnc1Nc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H20N4O4/c1-24-15-3-2-6-21-16(15)22-12-4-5-14-13(7-12)19(11-27-17(20)23-19)18(10-26-14)8-25-9-18/h2-7H,8-11H2,1H3,(H2,20,23)(H,21,22) ZEYHRDUCBSUMIM-UHFFFAOYSA-N 149748 US8975415, RP26::US9242973, RP26 Beta-secretase 1 Homo sapiens 69 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056457 252159285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361717 CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27) INWIVMOTHPFWNU-UHFFFAOYSA-N 149749 US8975415, 27::US9242973, 27 Beta-secretase 1 Homo sapiens 9.4 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548694 252159286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361718 CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H21FN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27) FSJTVQBTRXXXMC-UHFFFAOYSA-N 149750 US8975415, 28::US9242973, 28 Beta-secretase 1 Homo sapiens 19 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548695 252159287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361719 NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1 InChI=1S/C19H16ClFN4O3/c20-10-5-13(21)15(23-7-10)16(26)24-11-1-2-14-12(6-11)19(9-28-17(22)25-19)18(3-4-18)8-27-14/h1-2,5-7H,3-4,8-9H2,(H2,22,25)(H,24,26) BAZZVTQQQIAGLD-UHFFFAOYSA-N 149751 US8975415, RP29::US9242973, RP29 Beta-secretase 1 Homo sapiens 22 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056150 252159288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361720 CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 InChI=1S/C21H20ClFN4O4/c1-19(2)20(8-29-9-20)21(10-30-18(24)27-21)13-6-12(3-4-15(13)31-19)26-17(28)16-14(23)5-11(22)7-25-16/h3-7H,8-10H2,1-2H3,(H2,24,27)(H,26,28) NNCFJTIUQAEALJ-UHFFFAOYSA-N 149752 US8975415, 30::US9242973, 30 Beta-secretase 1 Homo sapiens 2.3 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548696 252159289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361721 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 InChI=1S/C19H17FN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25) SGURBDAGQXAXNV-UHFFFAOYSA-N 149753 US8975415, RP31::US9242973, RP31 Beta-secretase 1 Homo sapiens 61 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724294 252159290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361722 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 InChI=1S/C19H17ClN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25) ASXIBZVBBQRBMI-UHFFFAOYSA-N 149754 US8975415, RP32::US9242973, RP32 Beta-secretase 1 Homo sapiens 22 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056233 252159291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361723 COc1ccc(F)c(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H19FN2O4/c1-24-13-3-4-16(21)14(7-13)12-2-5-17-15(6-12)20(11-27-18(22)23-20)19(10-26-17)8-25-9-19/h2-7H,8-11H2,1H3,(H2,22,23) XONPOKBMDJXSSK-UHFFFAOYSA-N 149755 US8975415, RP33::US9242973, RP33 Beta-secretase 1 Homo sapiens 950 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056442 252159292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361724 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cc(Cl)cnc1F InChI=1S/C18H15ClFN3O3/c19-11-4-12(15(20)22-5-11)10-1-2-14-13(3-10)18(9-26-16(21)23-18)17(8-25-14)6-24-7-17/h1-5H,6-9H2,(H2,21,23) OXWANDFSWNCOLM-UHFFFAOYSA-N 149756 US8975415, RP34::US9242973, RP34 Beta-secretase 1 Homo sapiens 260 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246706 252159293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361725 NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncnc1 InChI=1S/C17H16N4O3/c18-15-21-17(9-24-15)13-3-11(12-4-19-10-20-5-12)1-2-14(13)23-8-16(17)6-22-7-16/h1-5,10H,6-9H2,(H2,18,21) FIBKURPTGZJVGG-UHFFFAOYSA-N 149758 US8975415, RP36::US9242973, RP36 Beta-secretase 1 Homo sapiens 810 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246707 252159295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361726 NC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1 InChI=1S/C13H13BrN2O2S/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16) OIIKYZRXWBNXLG-UHFFFAOYSA-N 149762 US8975415, RP41::US9242973, RP41 Beta-secretase 1 Homo sapiens >30000 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724235 252159299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361727 CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C11COC1 InChI=1S/C15H17BrN2O2S/c1-13(2)14(6-19-7-14)15(8-21-12(17)18-15)10-5-9(16)3-4-11(10)20-13/h3-5H,6-8H2,1-2H3,(H2,17,18) FXWBDJSWBRAHBD-UHFFFAOYSA-N 149763 US8975415, RP42::US9242973, RP42 Beta-secretase 1 Homo sapiens 5900 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056326 252159300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361728 NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 InChI=1S/C18H17ClN4O3/c19-13-2-1-5-21-15(13)22-11-3-4-14-12(6-11)18(10-26-16(20)23-18)17(9-25-14)7-24-8-17/h1-6H,7-10H2,(H2,20,23)(H,21,22) XNPBNQHTEMDPQV-UHFFFAOYSA-N 149764 US8975415, RP43::US9242973, RP43 Beta-secretase 1 Homo sapiens 1400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724298 252159301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361729 NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OC1(CCC1)C21COC1 InChI=1S/C21H21ClN4O3/c22-15-3-1-8-24-17(15)25-13-4-5-16-14(9-13)21(12-28-18(23)26-21)19(10-27-11-19)20(29-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,23,26)(H,24,25) XYJZKZHKINNLPL-UHFFFAOYSA-N 149765 US8975415, RP44::US9242973, RP44 Beta-secretase 1 Homo sapiens 98 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056330 252159302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361730 COc1cccnc1Nc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H24N4O4/c1-27-17-4-2-9-24-18(17)25-14-5-6-16-15(10-14)22(13-29-19(23)26-22)20(11-28-12-20)21(30-16)7-3-8-21/h2,4-6,9-10H,3,7-8,11-13H2,1H3,(H2,23,26)(H,24,25) WWHBQSJSWHAQSI-UHFFFAOYSA-N 149766 US8975415, RP45::US9242973, RP45 Beta-secretase 1 Homo sapiens 57 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056328 252159303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361731 CC(C)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H26N2O3/c1-13(2)8-14-4-5-16-15(9-14)20(12-24-17(21)22-20)18(10-23-11-18)19(25-16)6-3-7-19/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H2,21,22) DRTDEDKNDXQLDZ-UHFFFAOYSA-N 149767 US8975415, RP46::US9242973, RP46 Beta-secretase 1 Homo sapiens 1400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724299 252159304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361732 CCC(CC)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H30N2O3/c1-3-15(4-2)10-16-6-7-18-17(11-16)22(14-26-19(23)24-22)20(12-25-13-20)21(27-18)8-5-9-21/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3,(H2,23,24) VCGSYVUVMWKNOH-UHFFFAOYSA-N 149768 US8975415, RP47::US9242973, RP47 Beta-secretase 1 Homo sapiens 1400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056331 252159305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361733 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#CC1CC1 InChI=1S/C26H25N3O3/c27-23-29-26(16-31-23)21-11-19(20-10-18(12-28-13-20)5-4-17-2-3-17)6-7-22(21)32-25(8-1-9-25)24(26)14-30-15-24/h6-7,10-13,17H,1-3,8-9,14-16H2,(H2,27,29) QDLAPCDNFUGWBN-UHFFFAOYSA-N 149769 US8975415, RP48::US9242973, RP48 Beta-secretase 1 Homo sapiens 690 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724301 252159306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361734 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 72 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361735 CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24) ZKVKPYPCNDJJIH-UHFFFAOYSA-N 149772 US8975415, RP111::US8975415, RP52a::US9242973, RP111 Beta-secretase 1 Homo sapiens 75 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90016739 252159308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361736 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 99 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361737 CC1(C)Oc2ccc(cc2C2(CSC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O2S/c1-17(2)18(8-24-9-18)19(10-26-16(20)23-19)14-5-12(3-4-15(14)25-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) DGIBRPPLNYXLMV-UHFFFAOYSA-N 149774 US8975415, RP54::US9242973, RP54 Beta-secretase 1 Homo sapiens 79 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724304 252159310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361738 CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-7-23-17(8-14)15-4-5-18-16(9-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) FONNNDYVWDWHRD-UHFFFAOYSA-N 149775 US8975415, RP56::US9242973, RP56 Beta-secretase 1 Homo sapiens 740 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055131 252159311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361739 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(c1)C1CC1 InChI=1S/C21H21N3O2/c22-19-24-21(12-26-19)17-8-14(3-4-18(17)25-11-20(21)5-6-20)16-7-15(9-23-10-16)13-1-2-13/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,22,24) DFEWHEYFZREFMD-UHFFFAOYSA-N 149776 US8975415, RP57::US9242973, RP57 Beta-secretase 1 Homo sapiens 610 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246708 252159312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361740 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)F)c1 InChI=1S/C20H18F3N3O3/c21-20(22,23)11-27-14-5-13(7-25-8-14)12-1-2-16-15(6-12)19(10-29-17(24)26-19)18(3-4-18)9-28-16/h1-2,5-8H,3-4,9-11H2,(H2,24,26) PBIVNBDJISSSOF-UHFFFAOYSA-N 149777 US8975415, RP58::US9242973, RP58 Beta-secretase 1 Homo sapiens 180 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246709 252159313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361741 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)F)c1 InChI=1S/C20H19F2N3O3/c21-17(22)9-26-14-5-13(7-24-8-14)12-1-2-16-15(6-12)20(11-28-18(23)25-20)19(3-4-19)10-27-16/h1-2,5-8,17H,3-4,9-11H2,(H2,23,25) WQKBRYBBAYLSSQ-UHFFFAOYSA-N 149778 US8975415, RP59::US9242973, RP59 Beta-secretase 1 Homo sapiens 76 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246710 252159314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361742 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OC(F)F)c1 InChI=1S/C19H17F2N3O3/c20-16(21)27-13-5-12(7-23-8-13)11-1-2-15-14(6-11)19(10-26-17(22)24-19)18(3-4-18)9-25-15/h1-2,5-8,16H,3-4,9-10H2,(H2,22,24) UNYXJDJEOAZPJZ-UHFFFAOYSA-N 149779 US8975415, RP60::US9242973, RP60 Beta-secretase 1 Homo sapiens 160 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90055135 252159315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361743 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]ccc2c1 149780 US8975415, RP61::US9242973, RP61 Beta-secretase 1 Homo sapiens 350 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724307 252159316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361744 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]cc(Cl)c2c1 149781 US8975415, RP62::US9242973, RP62 Beta-secretase 1 Homo sapiens 1000 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90249017 252159317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361745 CCc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O2/c1-2-13-7-15(10-22-9-13)14-3-4-17-16(8-14)20(12-25-18(21)23-20)19(5-6-19)11-24-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23) ACFKJXYIJBZGDF-UHFFFAOYSA-N 149782 US8975415, RP63::US9242973, RP63 Beta-secretase 1 Homo sapiens 3300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246712 252159318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361746 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)C(F)F)c1 InChI=1S/C21H19F4N3O3/c22-17(23)21(24,25)11-29-14-5-13(7-27-8-14)12-1-2-16-15(6-12)20(10-31-18(26)28-20)19(3-4-19)9-30-16/h1-2,5-8,17H,3-4,9-11H2,(H2,26,28) DSXZHBCAGPUTHY-UHFFFAOYSA-N 149783 US8975415, RP64::US9242973, RP64 Beta-secretase 1 Homo sapiens 2300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246711 252159319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361747 COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)15-8-13(4-5-17(15)28-19)16-9-14(25-3)6-7-23-16/h4-9H,10-12H2,1-3H3,(H2,22,24) VODDOGVAQARPID-UHFFFAOYSA-N 149784 US8975415, RP65::US9242973, RP65 Beta-secretase 1 Homo sapiens 49 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724309 252159320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361748 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1 InChI=1S/C21H19N3O2S/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) SUTVFEFTMJCRDP-UHFFFAOYSA-N 149787 US8975415, RP68::US9242973, RP68 Beta-secretase 1 Homo sapiens 500 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246713 252159323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361749 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23) WRPYZOUQPVZQFZ-UHFFFAOYSA-N 149770 US8975415, RP51a::US8975415, RP51b::US8975415, RP69::US9242973, RP69 Beta-secretase 1 Homo sapiens 40 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025104 252159307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361750 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(F)c1 InChI=1S/C21H20FN3O3/c22-15-6-14(8-24-9-15)13-2-3-17-16(7-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-17)4-1-5-20/h2-3,6-9H,1,4-5,10-12H2,(H2,23,25) VKXZBNSASBAXPO-UHFFFAOYSA-N 149789 US8975415, RP70::US9242973, RP70 Beta-secretase 1 Homo sapiens 960 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246714 252159324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361751 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1F InChI=1S/C21H20FN3O3/c22-17-14(3-1-8-24-17)13-4-5-16-15(9-13)21(12-27-18(23)25-21)19(10-26-11-19)20(28-16)6-2-7-20/h1,3-5,8-9H,2,6-7,10-12H2,(H2,23,25) MIWGEPYDEJPCPW-UHFFFAOYSA-N 149790 US8975415, RP71::US9242973, RP71 Beta-secretase 1 Homo sapiens 110 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246716 252159325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361752 COc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O4/c1-26-16-7-15(9-24-10-16)14-3-4-18-17(8-14)22(13-28-19(23)25-22)20(11-27-12-20)21(29-18)5-2-6-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H2,23,25) OKGLRFINLNSCOR-UHFFFAOYSA-N 149791 US8975415, RP72::US9242973, RP72 Beta-secretase 1 Homo sapiens 68 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246715 252159326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361753 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(Cl)cnc1F InChI=1S/C21H19ClFN3O3/c22-13-7-14(17(23)25-8-13)12-2-3-16-15(6-12)21(11-28-18(24)26-21)19(9-27-10-19)20(29-16)4-1-5-20/h2-3,6-8H,1,4-5,9-11H2,(H2,24,26) AUJWOEBPSRCTTA-UHFFFAOYSA-N 149792 US8975415, RP73::US9242973, RP73 Beta-secretase 1 Homo sapiens 70 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056441 252159327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361754 Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C22H23N3O3/c1-14-7-16(10-24-9-14)15-3-4-18-17(8-15)22(13-27-19(23)25-22)20(11-26-12-20)21(28-18)5-2-6-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H2,23,25) XVSNEAWVASTHHT-UHFFFAOYSA-N 149794 US8975415, RP75::US9242973, RP75 Beta-secretase 1 Homo sapiens 1100 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90025147 252159329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361755 C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C19H18FN3O3/c1-11-18(8-24-9-18)19(10-25-17(21)23-19)14-7-12(4-5-15(14)26-11)13-3-2-6-22-16(13)20/h2-7,11H,8-10H2,1H3,(H2,21,23)/t11-,19+/m1/s1 GBWBGGRZIJBHOV-WYRIXSBYSA-N 149796 US8975415, RP77::US9242973, RP77 Beta-secretase 1 Homo sapiens 920 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246719 252159331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361756 C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C18H18N4O3/c1-11-17(7-23-8-17)18(9-24-16(19)22-18)14-4-12(2-3-15(14)25-11)13-5-20-10-21-6-13/h2-6,10-11H,7-9H2,1H3,(H2,19,22)/t11-,18+/m1/s1 VFWRHIJUHBWEBW-ZMZPIMSZSA-N 149797 US8975415, RP78::US9242973, RP78 Beta-secretase 1 Homo sapiens 1300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056135 252159332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361757 C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C19H18FN3O3/c1-11-18(8-24-9-18)19(10-25-17(21)23-19)14-7-12(4-5-15(14)26-11)13-3-2-6-22-16(13)20/h2-7,11H,8-10H2,1H3,(H2,21,23)/t11-,19-/m0/s1 GBWBGGRZIJBHOV-WLRWDXFRSA-N 149798 US8975415, RP79::US9242973, RP79 Beta-secretase 1 Homo sapiens 450 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056142 252159333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361758 C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C18H18N4O3/c1-11-17(7-23-8-17)18(9-24-16(19)22-18)14-4-12(2-3-15(14)25-11)13-5-20-10-21-6-13/h2-6,10-11H,7-9H2,1H3,(H2,19,22)/t11-,18-/m0/s1 VFWRHIJUHBWEBW-VOJFVSQTSA-N 149799 US8975415, RP80::US9242973, RP80 Beta-secretase 1 Homo sapiens 710 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056134 252159334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361759 COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/m1/s1 FODVISLDJAALAH-ODXCJYRJSA-N 149800 US8975415, RP81::US9242973, RP81 Beta-secretase 1 Homo sapiens 510 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246720 252159335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361760 CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24) AVGCDLOTQSAMEY-UHFFFAOYSA-N 149801 US8975415, RP82::US9242973, RP82 Beta-secretase 1 Homo sapiens 36 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246721 252159336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361761 COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)16-7-13(4-5-17(16)28-19)14-6-15(25-3)9-23-8-14/h4-9H,10-12H2,1-3H3,(H2,22,24) IAWZSEUFAASPLV-UHFFFAOYSA-N 149802 US8975415, RP83::US9242973, RP83 Beta-secretase 1 Homo sapiens 47 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246722 252159337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361762 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-2-16-18(8-24-9-18)19(10-25-17(20)23-19)14-5-12(3-4-15(14)26-16)13-6-21-11-22-7-13/h3-7,11,16H,2,8-10H2,1H3,(H2,20,23) ZMBYVIVIUYRASD-UHFFFAOYSA-N 149803 US8975415, RP84::US8975415, RP87::US9242973, RP84 Beta-secretase 1 Homo sapiens 410 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246723 252159338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361763 NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1 InChI=1S/C21H22N4O3/c22-18-25-21(12-27-18)16-7-14(15-8-23-13-24-9-15)3-4-17(16)28-20(5-1-2-6-20)19(21)10-26-11-19/h3-4,7-9,13H,1-2,5-6,10-12H2,(H2,22,25) STXYCGOXMYPZGQ-UHFFFAOYSA-N 149804 US8975415, RP85::US9242973, RP85 Beta-secretase 1 Homo sapiens 77 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056138 252159339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361764 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC InChI=1S/C23H23N3O3/c1-3-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-21(24)26-23)22(12-27-13-22)20(4-2)29-19/h6-11,20H,4,12-14H2,1-2H3,(H2,24,26) YOCKQJMJWGYCKD-UHFFFAOYSA-N 149805 US8975415, RP86::US9242973, RP86 Beta-secretase 1 Homo sapiens 58 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246724 252159340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361765 CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C19H20N4O3/c1-2-16-18(8-24-9-18)19(10-25-17(20)23-19)14-5-12(3-4-15(14)26-16)13-6-21-11-22-7-13/h3-7,11,16H,2,8-10H2,1H3,(H2,20,23) ZMBYVIVIUYRASD-UHFFFAOYSA-N 149803 US8975415, RP84::US8975415, RP87::US9242973, RP84 Beta-secretase 1 Homo sapiens 430 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246723 252159338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361766 NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 InChI=1S/C20H20N4O3/c21-18-24-20(10-26-18)15-5-13(14-6-22-11-23-7-14)3-4-16(15)27-17(12-1-2-12)19(20)8-25-9-19/h3-7,11-12,17H,1-2,8-10H2,(H2,21,24) LHAFHTSWDCBCED-UHFFFAOYSA-N 149807 US8975415, RP88::US8975415, RP89::US9242973, RP89 Beta-secretase 1 Homo sapiens 1400 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056144 252159341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361767 CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C21H24N4O3/c1-13(2)5-18-20(9-26-10-20)21(11-27-19(22)25-21)16-6-14(3-4-17(16)28-18)15-7-23-12-24-8-15/h3-4,6-8,12-13,18H,5,9-11H2,1-2H3,(H2,22,25) QQPOTGIGKATGCB-UHFFFAOYSA-N 149809 US8975415, RP90::US8975415, RP93::US9242973, RP93 Beta-secretase 1 Homo sapiens 500 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246725 252159342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361768 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C20H22N4O3/c1-2-3-17-19(9-25-10-19)20(11-26-18(21)24-20)15-6-13(4-5-16(15)27-17)14-7-22-12-23-8-14/h4-8,12,17H,2-3,9-11H2,1H3,(H2,21,24) XGNRRAYBEHJJDH-UHFFFAOYSA-N 149810 US8975415, RP91::US8975415, RP94::US9242973, RP94 Beta-secretase 1 Homo sapiens 340 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056255 252159343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361769 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC InChI=1S/C24H25N3O3/c1-3-5-16-9-18(12-26-11-16)17-7-8-20-19(10-17)24(15-29-22(25)27-24)23(13-28-14-23)21(30-20)6-4-2/h7-12,21H,4,6,13-15H2,1-2H3,(H2,25,27) VKNCKYKSIFQAIK-UHFFFAOYSA-N 149811 US8975415, RP92::US9242973, RP92 Beta-secretase 1 Homo sapiens 37 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246726 252159344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361770 CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C21H24N4O3/c1-13(2)5-18-20(9-26-10-20)21(11-27-19(22)25-21)16-6-14(3-4-17(16)28-18)15-7-23-12-24-8-15/h3-4,6-8,12-13,18H,5,9-11H2,1-2H3,(H2,22,25) QQPOTGIGKATGCB-UHFFFAOYSA-N 149809 US8975415, RP90::US8975415, RP93::US9242973, RP93 Beta-secretase 1 Homo sapiens 370 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246725 252159342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361771 CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 InChI=1S/C20H22N4O3/c1-2-3-17-19(9-25-10-19)20(11-26-18(21)24-20)15-6-13(4-5-16(15)27-17)14-7-22-12-23-8-14/h4-8,12,17H,2-3,9-11H2,1H3,(H2,21,24) XGNRRAYBEHJJDH-UHFFFAOYSA-N 149810 US8975415, RP91::US8975415, RP94::US9242973, RP94 Beta-secretase 1 Homo sapiens 380 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056255 252159343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361772 NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21COC1)-c1cncnc1 InChI=1S/C20H19F3N4O3/c21-20(22,23)4-3-16-18(8-28-9-18)19(10-29-17(24)27-19)14-5-12(1-2-15(14)30-16)13-6-25-11-26-7-13/h1-2,5-7,11,16H,3-4,8-10H2,(H2,24,27) SIJQFJDBAGZTQE-UHFFFAOYSA-N 203883 US9242973, RP95 Beta-secretase 1 Homo sapiens 410 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=203883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=203883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056256 319565079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361773 CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H22F3N3O3/c1-2-3-15-8-17(11-29-10-15)16-4-5-19-18(9-16)23(14-32-21(28)30-23)22(12-31-13-22)20(33-19)6-7-24(25,26)27/h4-5,8-11,20H,6-7,12-14H2,1H3,(H2,28,30) LMEWGQSCAOBUKB-UHFFFAOYSA-N 149815 US8975415, RP96::US9242973, RP96 Beta-secretase 1 Homo sapiens 22 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246728 252159346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361774 NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 InChI=1S/C18H18N4O3/c19-16-22-18(10-24-16)14-6-12(13-7-20-11-21-8-13)2-3-15(14)23-9-17(18)4-1-5-25-17/h2-3,6-8,11H,1,4-5,9-10H2,(H2,19,22) DMEXFXDUGPEWQS-UHFFFAOYSA-N 149816 US8975415, RP97::US8975415, RP98::US9242973, RP98 Beta-secretase 1 Homo sapiens 2600 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246729 252159347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361775 NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)(F)F InChI=1S/C22H20F3N3O3/c23-22(24,25)15-6-14(8-27-9-15)13-2-3-17-16(7-13)21(12-30-18(26)28-21)19(10-29-11-19)20(31-17)4-1-5-20/h2-3,6-9H,1,4-5,10-12H2,(H2,26,28) DNXRXHBBOSWKEH-UHFFFAOYSA-N 149818 US8975415, RP99::US9242973, RP99 Beta-secretase 1 Homo sapiens 1900 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056251 252159348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361776 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncnc1 InChI=1S/C17H16N4O2/c18-15-21-17(9-23-15)13-5-11(12-6-19-10-20-7-12)1-2-14(13)22-8-16(17)3-4-16/h1-2,5-7,10H,3-4,8-9H2,(H2,18,21) GQFYFTNDSLXGAN-UHFFFAOYSA-N 149819 US8975415, RP100::US9242973, RP100 Beta-secretase 1 Homo sapiens 250 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056261 252159349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361777 NC1=NC2(CO1)c1cc(c(F)cc1OCC21CC1)-c1cncnc1 InChI=1S/C17H15FN4O2/c18-13-4-14-12(3-11(13)10-5-20-9-21-6-10)17(8-24-15(19)22-17)16(1-2-16)7-23-14/h3-6,9H,1-2,7-8H2,(H2,19,22) LZIPIZWOUYFZDB-UHFFFAOYSA-N 149821 US8975415, RP102::US9242973, RP102 Beta-secretase 1 Homo sapiens 240 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056259 252159351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361778 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cccnc1F InChI=1S/C18H16FN3O2/c19-15-12(2-1-7-21-15)11-3-4-14-13(8-11)18(10-24-16(20)22-18)17(5-6-17)9-23-14/h1-4,7-8H,5-6,9-10H2,(H2,20,22) HAVSLFQSSPEGTD-UHFFFAOYSA-N 149822 US8975415, RP103::US9242973, RP103 Beta-secretase 1 Homo sapiens 450 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056258 252159352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361779 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cc(Cl)cnc1F InChI=1S/C18H15ClFN3O2/c19-11-6-12(15(20)22-7-11)10-1-2-14-13(5-10)18(9-25-16(21)23-18)17(3-4-17)8-24-14/h1-2,5-7H,3-4,8-9H2,(H2,21,23) YLFDDYWNYJPIAU-UHFFFAOYSA-N 149823 US8975415, RP104::US9242973, RP104 Beta-secretase 1 Homo sapiens 300 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056260 252159353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361780 COc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C19H19N3O3/c1-23-14-6-13(8-21-9-14)12-2-3-16-15(7-12)19(11-25-17(20)22-19)18(4-5-18)10-24-16/h2-3,6-9H,4-5,10-11H2,1H3,(H2,20,22) ZOGSWBUPTFGEHZ-UHFFFAOYSA-N 149824 US8975415, RP105::US9242973, RP105 Beta-secretase 1 Homo sapiens 340 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056199 252159354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361781 CCOc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 InChI=1S/C20H21N3O3/c1-2-24-15-7-14(9-22-10-15)13-3-4-17-16(8-13)20(12-26-18(21)23-20)19(5-6-19)11-25-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23) ZBXSCAQSUCUQMO-UHFFFAOYSA-N 149825 US8975415, RP106::US9242973, RP106 Beta-secretase 1 Homo sapiens 160 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246730 252159355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361782 NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(Cl)c1 InChI=1S/C18H16ClN3O2/c19-13-5-12(7-21-8-13)11-1-2-15-14(6-11)18(10-24-16(20)22-18)17(3-4-17)9-23-15/h1-2,5-8H,3-4,9-10H2,(H2,20,22) WMZFHEUJJBBJRB-UHFFFAOYSA-N 149826 US8975415, RP107::US9242973, RP107 Beta-secretase 1 Homo sapiens 460 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056194 252159356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361783 CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24) KPXCLUUQECRYFF-UHFFFAOYSA-N 149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108 Beta-secretase 1 Homo sapiens 96 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86724311 252159309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361784 CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C24H23N3O3/c1-2-4-16-9-18(12-26-11-16)17-5-6-20-19(10-17)24(15-29-21(25)27-24)22(13-28-14-22)23(30-20)7-3-8-23/h5-6,9-12H,3,7-8,13-15H2,1H3,(H2,25,27) NPOSFNQEFRRESB-UHFFFAOYSA-N 149828 US8975415, RP109::US9242973, RP109 Beta-secretase 1 Homo sapiens 48 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90246731 252159357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 361785 CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 InChI=1S/C23H23N3O3/c1-4-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-20(24)26-23)22(12-27-13-22)21(2,3)29-19/h6-11H,12-14H2,1-3H3,(H2,24,26) TWNMFZUXTQLPDM-UHFFFAOYSA-N 149829 US8975415, RP110::US9242973, RP110 Beta-secretase 1 Homo sapiens 9.2 37.00 C US Patent 10.7270/Q29W0D9C aid1802182 US9242973 Munakata, R; Inoue, M; Tominaga, H; Yamasaki, S; Shiina, Y; Samizu, K; Hamaguchi, H; Hong, L CoMentis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=149829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90056237 252159358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370985 C[C@]1(CSCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5OS/c1-18(10-26-9-16(21)24-18)13-6-12(3-4-14(13)19)23-17(25)15-5-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 FFXBFKVOFDJCHR-SFHVURJKSA-N 209913 US9273042, 1 Beta-secretase 1 Homo sapiens 0.011 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547961 328082888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370986 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O3S/c1-18(10-28(26,27)9-16(21)24-18)13-6-12(3-4-14(13)19)23-17(25)15-5-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 RGEUASSNKIFBFX-SFHVURJKSA-N 209914 US9273042, 2 Beta-secretase 1 Homo sapiens 0.0082 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548198 328082889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370987 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O3S/c1-17(9-27(25,26)8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 BERFIAGDNHYWRI-KRWDZBQOSA-N 209915 US9273042, 3::US9556135, 29 Beta-secretase 1 Homo sapiens 0.0061 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548199 328082890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370988 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C18H17F3N4O4S/c1-18(9-30(27,28)8-15(22)25-18)12-6-10(2-4-13(12)19)24-16(26)14-5-3-11(7-23-14)29-17(20)21/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 WEGAIKUAAJABPF-SFHVURJKSA-N 209916 US9273042, 4 Beta-secretase 1 Homo sapiens 0.0057 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547962 328082891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370989 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LMHDJRUKZXENER-IBGZPJMESA-N 50012660 CHEMBL3261078::US9273042, 5::US9556135, 19 Beta-secretase 1 Homo sapiens 0.0009 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562362 103924913 CHEMBL3261078 ZINC29414433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370990 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H20FN5O3S/c1-19(2)18(23)26-20(3,11-30(19,28)29)14-8-13(5-6-15(14)21)25-17(27)16-7-4-12(9-22)10-24-16/h4-8,10H,11H2,1-3H3,(H2,23,26)(H,25,27)/t20-/m0/s1 SQPMMXMVMZGIEG-FQEVSTJZSA-N 209917 US9273042, 6::US9556135, 23 Beta-secretase 1 Homo sapiens 0.0002 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562670 328082892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370991 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 HVMRBCNORJDLCW-IBGZPJMESA-N 209918 US9273042, 7::US9556135, 17 Beta-secretase 1 Homo sapiens 0.0009 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562573 328082893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370992 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H20F3N5O3S/c1-18(2)17(23)27-19(3,9-31(18,29)30)11-6-10(4-5-12(11)20)26-16(28)14-8-24-13(7-25-14)15(21)22/h4-8,15H,9H2,1-3H3,(H2,23,27)(H,26,28)/t19-/m0/s1 PRODEHRJOZCZNV-IBGZPJMESA-N 209919 US9273042, 8 Beta-secretase 1 Homo sapiens 0.0018 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548197 328082894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 370993 C[C@]1(CS(=O)(=O)C2(CCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H22FN5O3S/c1-21(13-32(30,31)22(20(25)28-21)8-2-3-9-22)16-10-15(5-6-17(16)23)27-19(29)18-7-4-14(11-24)12-26-18/h4-7,10,12H,2-3,8-9,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1 HTCUNHVVVKCMRI-NRFANRHFSA-N 209920 US9273042, 9 Beta-secretase 1 Homo sapiens 0.001 37.00 C US Patent 10.7270/Q22Z14CV aid1802321 US9273042 Hilpert, H; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90067089 328082895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371370 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 InChI=1S/C21H25N5O2S/c1-28-18-12-23-17(11-24-18)19(27)25-16-9-5-8-15(10-16)21(13-29-20(22)26-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,26)(H,25,27) NPHZTQGJWPDARN-UHFFFAOYSA-N 116272 US8637504, 2::US9273053, 2::US9650371, 2 Beta-secretase 1 Homo sapiens 514 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547550 199996656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371371 NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27) NMQIAWGHGQYFFH-UHFFFAOYSA-N 116273 US8637504, 3::US9273053, 3::US9650371, 3 Beta-secretase 1 Homo sapiens 966 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242152 199996657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371372 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 PRRHDZGJWFVLLQ-KRWDZBQOSA-N 116274 US8637504, 16::US9270353, 16::US9650371, 16 Beta-secretase 1 Homo sapiens 10 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44596001 199996658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371373 CC(C)=C1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C20H22FN5OS/c1-11(2)17-8-20(4,26-19(22)28-17)14-7-13(5-6-15(14)21)25-18(27)16-10-23-12(3)9-24-16/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1 CZUZBVXITXQFIC-FQEVSTJZSA-N 116275 US8637504, 20::US9273053, 20 Beta-secretase 1 Homo sapiens 95 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547703 199996659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371374 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(SC(N)=N1)=C(C)C InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1 KGOHZCKUSDEIQA-FQEVSTJZSA-N 116276 US8637504, 21::US9273053, 21 Beta-secretase 1 Homo sapiens 19 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547704 199996660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371375 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 TZBBBHJEGUZHNW-SFHVURJKSA-N 116277 US8637504, 22::US9273053, 22::US9650371, 22 Beta-secretase 1 Homo sapiens 572 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254164 199996661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371376 CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C18H18FN5OS/c1-10-9-26-17(20)24-18(10,3)13-6-12(4-5-14(13)19)23-16(25)15-8-21-11(2)7-22-15/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 BENXRHGKKPMPCO-SFHVURJKSA-N 116278 US8637504, 23::US9273053, 23::US9650371, 23 Beta-secretase 1 Homo sapiens 5280 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254165 199996662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371377 CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H18FN5O2S/c1-4-7-28-17-10-23-16(9-24-17)18(27)25-13-5-6-15(21)14(8-13)20(3)12(2)11-29-19(22)26-20/h1,5-6,8-11H,7H2,2-3H3,(H2,22,26)(H,25,27)/t20-/m0/s1 IVWWVVVKPGCOOY-FQEVSTJZSA-N 116279 US8637504, 24::US9273053, 24::US9650371, 24 Beta-secretase 1 Homo sapiens 54 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951055 199996663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371378 COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C20H21FN4O3S/c1-20(7-10-29-19(22)25-20)15-11-13(3-5-16(15)21)24-18(26)17-6-4-14(12-23-17)28-9-8-27-2/h3-7,10-12H,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t20-/m0/s1 YJZQEEVMBLREDL-FQEVSTJZSA-N 116280 US8637504, 33::US9273053, 33 Beta-secretase 1 Homo sapiens 73 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254144 199996664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371379 Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)c1 InChI=1S/C18H19FN4OS/c1-11-8-15(23(3)10-11)16(24)21-12-4-5-14(19)13(9-12)18(2)6-7-25-17(20)22-18/h4-10H,1-3H3,(H2,20,22)(H,21,24)/t18-/m0/s1 DJGHFMRRVDQGCO-SFHVURJKSA-N 210082 US9273053, 35 Beta-secretase 1 Homo sapiens 96 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118012668 329586313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371380 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ncco2)ccc1F InChI=1S/C19H15FN6O2S/c1-19(4-7-29-18(21)26-19)12-8-11(2-3-13(12)20)25-16(27)14-9-24-15(10-23-14)17-22-5-6-28-17/h2-10H,1H3,(H2,21,26)(H,25,27)/t19-/m0/s1 JJCQQVUBZIXYGN-IBGZPJMESA-N 116282 US8637504, 38::US9273053, 38::US9650371, 38 Beta-secretase 1 Homo sapiens 304 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254145 199996666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371381 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)-c2ccc[nH]2)ccc1F InChI=1S/C21H18FN5OS/c1-21(8-10-29-20(23)27-21)15-11-14(5-6-16(15)22)26-19(28)18-7-4-13(12-25-18)17-3-2-9-24-17/h2-12,24H,1H3,(H2,23,27)(H,26,28)/t21-/m0/s1 YZPGFBRFPHAZQQ-NRFANRHFSA-N 116283 US8637504, 39::US9273053, 39::US9650371, 39 Beta-secretase 1 Homo sapiens 97 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254040 199996667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371382 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F InChI=1S/C17H16F3N5OS/c1-10-8-23-13(9-22-10)14(26)24-12-4-2-3-11(7-12)16(17(18,19)20)5-6-27-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26) WZPFEWICESTLJD-UHFFFAOYSA-N 116284 US8637504, 44::US9273053, 44::US9650371, 44 Beta-secretase 1 Homo sapiens 2130 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254167 199996668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371383 NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28) VMTMMFRWDONPDM-UHFFFAOYSA-N 116285 US8637504, 46::US9273053, 46::US9650371, 46 Beta-secretase 1 Homo sapiens 611 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909985 199996669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371384 NC1=NC(CCS1)(c1cccc(NC(=O)c2ccc(cn2)C#N)c1)C(F)(F)F InChI=1S/C18H14F3N5OS/c1-23-13-5-6-14(24-10-13)15(27)25-12-4-2-3-11(9-12)17(18(19,20)21)7-8-28-16(22)26-17/h2-6,9-10H,7-8H2,(H2,22,26)(H,25,27) KXLMJYJOQPBSOB-UHFFFAOYSA-N 116286 US8637504, 47::US9273053, 47::US9650371, 47 Beta-secretase 1 Homo sapiens 91 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254041 199996670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371385 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F InChI=1S/C17H16F3N5O2S/c1-27-13-9-22-12(8-23-13)14(26)24-11-4-2-3-10(7-11)16(17(18,19)20)5-6-28-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26) PGXPQOXTAQHLQV-UHFFFAOYSA-N 116287 US8637504, 48::US9273053, 48::US9650371, 48 Beta-secretase 1 Homo sapiens 273 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254146 199996671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371386 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-6,8-9H,1,7H2,2-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 RIMDLOYRRDVOKF-SFHVURJKSA-N 116288 US8637504, 51::US9273053, 51::US9650371, 51 Beta-secretase 1 Homo sapiens 16 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254147 199996672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371387 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H18FN5OS/c1-10-8-22-15(9-21-10)16(25)23-12-4-5-14(19)13(6-12)18(3)7-11(2)26-17(20)24-18/h4-6,8-9H,2,7H2,1,3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 QZQWHMZFYGSGBR-SFHVURJKSA-N 116289 US8637504, 53::US9273053, 53::US9650371, 53 Beta-secretase 1 Homo sapiens 76 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254148 199996673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371388 NC1=NC(CS1)(c1cccc(F)c1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C21H15Cl2FN4OS/c22-14-9-17(23)18(26-10-14)19(29)27-16-6-2-4-13(8-16)21(11-30-20(25)28-21)12-3-1-5-15(24)7-12/h1-10H,11H2,(H2,25,28)(H,27,29) ZIESMOMMMSUWDL-UHFFFAOYSA-N 116290 US8637504, 56::US9273053, 56::US9650371, 56 Beta-secretase 1 Homo sapiens 352 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254170 199996674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371389 COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30) LYIXHSBICKAVDY-UHFFFAOYSA-N 116291 US8637504, 58::US9273053, 58::US9650371, 58 Beta-secretase 1 Homo sapiens 186 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254149 199996675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371390 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 IFZDIAKAFRXVOQ-SFHVURJKSA-N 116292 US8637504, 59::US9273053, 59::US9650371, 59 Beta-secretase 1 Homo sapiens 19 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254150 199996676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371391 Cn1ccnc1COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C21H20FN7O2S/c1-21(5-8-32-20(23)28-21)14-9-13(3-4-15(14)22)27-19(30)16-10-26-18(11-25-16)31-12-17-24-6-7-29(17)2/h3-11H,12H2,1-2H3,(H2,23,28)(H,27,30)/t21-/m0/s1 KEKPFHZBWJUZPV-NRFANRHFSA-N 116293 US8637504, 60::US9273053, 60::US9650371, 60 Beta-secretase 1 Homo sapiens 243 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254076 199996677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371392 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1 AEAGJGOSNUCBGG-FQEVSTJZSA-N 116294 US8637504, 61::US9273053, 61::US9650371, 61 Beta-secretase 1 Homo sapiens 169 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254195 199996678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371393 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cc3NCCn3n2)ccc1F InChI=1S/C17H17FN6OS/c1-17(4-7-26-16(19)22-17)11-8-10(2-3-12(11)18)21-15(25)13-9-14-20-5-6-24(14)23-13/h2-4,7-9,20H,5-6H2,1H3,(H2,19,22)(H,21,25)/t17-/m0/s1 JGSHZHANJDWJJX-KRWDZBQOSA-N 116295 US8637504, 63::US9273053, 63::US9650371, 63 Beta-secretase 1 Homo sapiens 435 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254152 199996679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371394 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(NS(C)(=O)=O)cn2)ccc1F InChI=1S/C17H17FN6O3S2/c1-17(5-6-28-16(19)23-17)11-7-10(3-4-12(11)18)22-15(25)13-8-21-14(9-20-13)24-29(2,26)27/h3-9H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1 JDRDVXZQWKELNV-KRWDZBQOSA-N 116296 US8637504, 66::US9273053, 66::US9650371, 66 Beta-secretase 1 Homo sapiens 296 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242164 199996680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371395 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-5-29-17(20)26-18)12-6-11(2-3-13(12)19)25-16(28)14-7-23-15(8-22-14)27-10-21-9-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1 GGYSKNPJTWNUPH-SFHVURJKSA-N 116297 US8637504, 70::US9273053, 70::US9650371, 70 Beta-secretase 1 Homo sapiens 36 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254083 199996681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371396 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2ccnn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)25-18)12-8-11(2-3-13(12)19)24-16(28)14-9-22-15(10-21-14)27-6-5-23-26-27/h2-10H,1H3,(H2,20,25)(H,24,28)/t18-/m0/s1 XBSFBXNLSIOBOR-SFHVURJKSA-N 116298 US8637504, 72::US9273053, 72::US9650371, 72 Beta-secretase 1 Homo sapiens 250 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254082 199996682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371397 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2nccn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1 OYPUAKBOHVWSIH-SFHVURJKSA-N 116299 US8637504, 73::US9273053, 73::US9650371, 73 Beta-secretase 1 Homo sapiens 234 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242162 199996683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371398 Cc1ncnn1-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C19H17FN8OS/c1-11-24-10-25-28(11)16-9-22-15(8-23-16)17(29)26-12-3-4-14(20)13(7-12)19(2)5-6-30-18(21)27-19/h3-10H,1-2H3,(H2,21,27)(H,26,29)/t19-/m0/s1 BWSDBMKPTXUZJP-IBGZPJMESA-N 116300 US8637504, 75::US9273053, 75::US9650371, 75 Beta-secretase 1 Homo sapiens 697 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254154 199996684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371399 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 ILCHBMXUEANZSX-KRWDZBQOSA-N 116301 US8637504, 76::US9273053, 76::US9650371, 76 Beta-secretase 1 Homo sapiens 62 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242161 199996685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371400 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C16H13BrFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1 ANZUTVZXPALJDX-INIZCTEOSA-N 116302 US8637504, 79::US9273053, 79::US9650371, 79 Beta-secretase 1 Homo sapiens 24 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254173 199996686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371401 Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C21H17BrFN3O2S/c1-11-14-9-12(22)3-6-17(14)28-18(11)19(27)25-13-4-5-16(23)15(10-13)21(2)7-8-29-20(24)26-21/h3-10H,1-2H3,(H2,24,26)(H,25,27)/t21-/m0/s1 RLQSWFVHIPUBCP-NRFANRHFSA-N 116303 US8637504, 81::US9273053, 81::US9650371, 81 Beta-secretase 1 Homo sapiens 7 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242155 199996687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371402 COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1 KBLRXJDAJAZTFG-KRWDZBQOSA-N 116304 US8637504, 99::US9273053, 99::US9650371, 99 Beta-secretase 1 Homo sapiens 14 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909950 199996688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371403 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)cnc1Cl InChI=1S/C18H14ClFN6OS/c1-9-5-18(2,26-17(22)28-9)12-4-11(8-24-15(12)19)25-16(27)14-13(20)3-10(6-21)7-23-14/h3-4,7-8H,1,5H2,2H3,(H2,22,26)(H,25,27)/t18-/m0/s1 VTSKAWNFIRGNOY-SFHVURJKSA-N 116305 US8637504, 101::US9273053, 101::US9650371, 101 Beta-secretase 1 Homo sapiens 22 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909929 199996689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371404 COc1cnc(cn1)C(=O)Nc1cnc(C)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H20N6O2S/c1-10-6-18(3,24-17(19)27-10)13-5-12(7-20-11(13)2)23-16(25)14-8-22-15(26-4)9-21-14/h5,7-9H,1,6H2,2-4H3,(H2,19,24)(H,23,25)/t18-/m0/s1 SDVUYBMJJJOPKG-SFHVURJKSA-N 116306 US8637504, 102::US9273053, 102::US9650371, 102 Beta-secretase 1 Homo sapiens 36 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254178 199996690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371405 COc1cnc(cn1)C(=O)Nc1cncc(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C17H18N6O2S/c1-10-5-17(2,23-16(18)26-10)11-4-12(7-19-6-11)22-15(24)13-8-21-14(25-3)9-20-13/h4,6-9H,1,5H2,2-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1 FWRHQSSBQXQXID-KRWDZBQOSA-N 116307 US8637504, 104::US9273053, 104::US9650371, 104 Beta-secretase 1 Homo sapiens 63 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254052 199996691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 371406 C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 InChI=1S/C18H15ClF3N5OS/c1-9-5-17(2,27-16(23)29-9)10-3-12(8-24-6-10)26-15(28)14-13(19)4-11(7-25-14)18(20,21)22/h3-4,6-8H,1,5H2,2H3,(H2,23,27)(H,26,28)/t17-/m0/s1 ZKSRTQXOCWHFTK-KRWDZBQOSA-N 116308 US8637504, 106::US9273053, 106::US9650371, 106 Beta-secretase 1 Homo sapiens 102 5 US Patent 10.7270/Q24Q7SVG aid1802348 US9273053 Matsumoto, S; Kooriyama, Y Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254202 199996692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377607 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-30-14-7-25-12(6-26-14)15(29)27-9-2-3-11(20)10(4-9)17(8-19)5-13(18(21,22)23)31-16(24)28-17/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17+/m0/s1 BLNHQDSKCVQIOQ-SUMWQHHRSA-N 214801 US9296734, 2 Beta-secretase 1 Homo sapiens 21 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668202 329965678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377608 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-30-14-7-25-12(6-26-14)15(29)27-9-2-3-11(20)10(4-9)17(8-19)5-13(18(21,22)23)31-16(24)28-17/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m1/s1 BLNHQDSKCVQIOQ-CXAGYDPISA-N 214824 US9296734, 25 Beta-secretase 1 Homo sapiens 813 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372856 329965700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377609 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF5N4O2/c19-9-1-4-13(26-7-9)15(29)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)30-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1 IDHAZTOESFWNSY-WMLDXEAASA-N 214802 US9296734, 3 Beta-secretase 1 Homo sapiens 18 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71667462 329965679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377610 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H15ClF5N5O/c21-11-5-10-3-4-28-17(16(10)29-8-11)30-12-1-2-14(23)13(6-12)19(9-22)7-15(20(24,25)26)32-18(27)31-19/h1-6,8,15H,7,9H2,(H2,27,31)(H,28,30)/t15-,19+/m0/s1 CCHOGVQCNCTVED-HNAYVOBHSA-N 214807 US9296734, 22::US9296734, 8 Beta-secretase 1 Homo sapiens 18 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732113 329965684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377611 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)nccc2n1 InChI=1S/C20H17F5N6O2/c1-32-15-8-28-16-13(30-15)4-5-27-17(16)29-10-2-3-12(22)11(6-10)19(9-21)7-14(20(23,24)25)33-18(26)31-19/h2-6,8,14H,7,9H2,1H3,(H2,26,31)(H,27,29)/t14-,19+/m0/s1 PCNDBEIQPLJGIC-IFXJQAMLSA-N 214808 US9296734, 9 Beta-secretase 1 Homo sapiens 50 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373087 329965685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377612 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O2/c1-9-4-10(20)7-27-15(9)16(30)28-11-2-3-13(22)12(5-11)18(8-21)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 GSHVOYWQLKOCLX-KBXCAEBGSA-N 214803 US9296734, 4 Beta-secretase 1 Homo sapiens 8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732142 329965680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377613 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17ClF5N5O2/c1-10-17(30-16-5-2-11(22)8-32(10)16)18(33)29-12-3-4-14(24)13(6-12)20(9-23)7-15(21(25,26)27)34-19(28)31-20/h2-6,8,15H,7,9H2,1H3,(H2,28,31)(H,29,33)/t15-,20+/m0/s1 HCDBRYXKOZVMHM-MGPUTAFESA-N 214805 US9296734, 6 Beta-secretase 1 Homo sapiens 36 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732111 329965682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377614 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F InChI=1S/C25H21F4N5O4/c1-24(11-19(25(27,28)29)38-23(34-24)33-21(35)14-6-4-3-5-7-14)16-10-15(8-9-17(16)26)32-22(36)18-12-31-20(37-2)13-30-18/h3-10,12-13,19H,11H2,1-2H3,(H,32,36)(H,33,34,35)/t19-,24-/m0/s1 HOVSJIXNUDNSOA-CYFREDJKSA-N 214827 US9296734, 27 Beta-secretase 1 Homo sapiens 30 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372784 329965703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377615 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C20H16F8N4O3/c21-8-18(6-15(20(26,27)28)35-17(29)32-18)12-5-10(1-3-13(12)22)31-16(33)14-4-2-11(7-30-14)34-9-19(23,24)25/h1-5,7,15H,6,8-9H2,(H2,29,32)(H,31,33)/t15-,18+/m0/s1 GXYRXKLMYVNONT-MAUKXSAKSA-N 214804 US9296734, 5 Beta-secretase 1 Homo sapiens 43 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668200 329965681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377616 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H15ClF5N5O/c21-11-5-10-3-4-28-17(16(10)29-8-11)30-12-1-2-14(23)13(6-12)19(9-22)7-15(20(24,25)26)32-18(27)31-19/h1-6,8,15H,7,9H2,(H2,27,31)(H,28,30)/t15-,19+/m0/s1 CCHOGVQCNCTVED-HNAYVOBHSA-N 214807 US9296734, 22::US9296734, 8 Beta-secretase 1 Homo sapiens 21 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732113 329965684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377617 Cc1cc(Cl)cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16ClF4N5O2/c1-8-3-9(19)6-25-13(8)15(29)27-10-4-11(14(20)26-7-10)17(2)5-12(18(21,22)23)30-16(24)28-17/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 OYOWKRLQEBXXFF-SJCJKPOMSA-N 214860 US9296734, 61 Beta-secretase 1 Homo sapiens 55.2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322074 329965735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377618 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c20-9-18(6-15(19(22,23)24)31-17(26)29-18)12-5-11(2-3-13(12)21)28-16(30)14-4-1-10(7-25)8-27-14/h1-5,8,15H,6,9H2,(H2,26,29)(H,28,30)/t15-,18+/m0/s1 QCMXWFUAVCHHIA-MAUKXSAKSA-N 50432603 CHEMBL2347187::US9296734, 59 Beta-secretase 1 Homo sapiens 17.9 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HM 4J1E 71305057 164161478 CHEMBL2347187 ZINC95602098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377619 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17ClF4N4O2/c1-9-5-10(20)8-26-15(9)16(29)27-11-3-4-13(21)12(6-11)18(2)7-14(19(22,23)24)30-17(25)28-18/h3-6,8,14H,7H2,1-2H3,(H2,25,28)(H,27,29)/t14-,18-/m0/s1 FLOQLFHUIOTUTO-KSSFIOAISA-N 214831 US9296734, 31 Beta-secretase 1 Homo sapiens 16.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322073 329965707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377620 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF5N5O2/c20-12-3-9(6-26)7-28-15(12)16(31)29-10-1-2-13(22)11(4-10)18(8-21)5-14(19(23,24)25)32-17(27)30-18/h1-4,7,14H,5,8H2,(H2,27,30)(H,29,31)/t14-,18+/m0/s1 MOMLEQNWBDCETG-KBXCAEBGSA-N 214832 US9296734, 32 Beta-secretase 1 Homo sapiens 28.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668048 329965708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377621 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H18F5N5O3/c1-9-15(26-7-14(27-9)31-2)16(30)28-10-3-4-12(21)11(5-10)18(8-20)6-13(19(22,23)24)32-17(25)29-18/h3-5,7,13H,6,8H2,1-2H3,(H2,25,29)(H,28,30)/t13-,18+/m0/s1 FOWQPYBFNSIGLL-SCLBCKFNSA-N 214833 US9296734, 33 Beta-secretase 1 Homo sapiens 73.6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321765 329965709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377622 COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O3/c1-31-13-4-9(20)7-27-15(13)16(30)28-10-2-3-12(22)11(5-10)18(8-21)6-14(19(23,24)25)32-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 OJXHVKRDKPVNQU-KBXCAEBGSA-N 214846 US9296734, 47 Beta-secretase 1 Homo sapiens 56.4 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321764 329965722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377623 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(7-14(18(21,22)23)29-16(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)8-25-13/h2-6,8,14H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,17-/m0/s1 GLPZXCBSTJTISQ-YOEHRIQHSA-N 214826 US9296734, 26::US9296734, 60 Beta-secretase 1 Homo sapiens 52.8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71667461 329965702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377624 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(7-14(18(21,22)23)29-16(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)8-25-13/h2-6,8,14H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,17-/m0/s1 GLPZXCBSTJTISQ-YOEHRIQHSA-N 214826 US9296734, 26::US9296734, 60 Beta-secretase 1 Homo sapiens 12.3 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71667461 329965702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377625 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H14F4N6O2/c1-17(5-13(18(20,21)22)30-16(24)28-17)11-4-10(8-26-14(11)19)27-15(29)12-3-2-9(6-23)7-25-12/h2-4,7-8,13H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1 GZQHKBFOERBNAG-GUYCJALGSA-N 214861 US9296734, 62 Beta-secretase 1 Homo sapiens 52.3 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321762 329965736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377626 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C19H15F4N5O2/c1-18(8-15(19(21,22)23)30-17(24)28-18)12-7-10(3-5-13(12)20)27-16(29)14-6-4-11(25-2)9-26-14/h3-7,9,15H,8H2,1H3,(H2,24,28)(H,27,29)/t15-,18-/m0/s1 MQGTZQMQZZRLLU-YJBOKZPZSA-N 214992 US9296734, 185 Beta-secretase 1 Homo sapiens 13.2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221534 329965863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377627 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C19H16ClF5N4O3/c1-31-10-5-12(20)15(27-7-10)16(30)28-9-2-3-13(22)11(4-9)18(8-21)6-14(19(23,24)25)32-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 DDSHXFILKTVOHT-KBXCAEBGSA-N 214849 US9296734, 50 Beta-secretase 1 Homo sapiens 23.8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321124 329965725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377628 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C21H14F6N6O/c22-9-20(5-16(21(25,26)27)34-19(29)33-20)13-4-11(1-2-14(13)23)32-18-17-12(15(24)8-31-18)3-10(6-28)7-30-17/h1-4,7-8,16H,5,9H2,(H2,29,33)(H,31,32)/t16-,20+/m0/s1 LWXHQLQQXIEDPY-OXJNMPFZSA-N 214809 US9296734, 10 Beta-secretase 1 Homo sapiens 10.1 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321123 329965686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377629 Cc1cc(OCC2CC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C23H23F5N4O3/c1-12-6-15(34-10-13-2-3-13)9-30-19(12)20(33)31-14-4-5-17(25)16(7-14)22(11-24)8-18(23(26,27)28)35-21(29)32-22/h4-7,9,13,18H,2-3,8,10-11H2,1H3,(H2,29,32)(H,31,33)/t18-,22+/m0/s1 WXNCHWJYOUAHGQ-PGRDOPGGSA-N 214837 US9296734, 37 Beta-secretase 1 Homo sapiens 12.9 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373221 329965713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377630 COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O3/c1-32-14-4-10(7-26)8-28-16(14)17(31)29-11-2-3-13(22)12(5-11)19(9-21)6-15(20(23,24)25)33-18(27)30-19/h2-5,8,15H,6,9H2,1H3,(H2,27,30)(H,29,31)/t15-,19+/m0/s1 GSULBDRDQOJUHA-HNAYVOBHSA-N 214847 US9296734, 48 Beta-secretase 1 Homo sapiens 41.8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373184 329965723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377631 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H14BrF5N4O2/c19-9-1-4-13(26-7-9)15(29)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)30-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1 QKABRHMRLFQOCY-WMLDXEAASA-N 214851 US9296734, 52 Beta-secretase 1 Homo sapiens 10 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322077 329965727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377632 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cnc1F InChI=1S/C18H13ClF4N6O2/c1-17(4-12(18(21,22)23)31-16(25)29-17)10-3-9(7-27-14(10)20)28-15(30)13-11(19)2-8(5-24)6-26-13/h2-3,6-7,12H,4H2,1H3,(H2,25,29)(H,28,30)/t12-,17-/m0/s1 SCUMFBXTHSZDFG-SJCJKPOMSA-N 214865 US9296734, 66 Beta-secretase 1 Homo sapiens 60.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732133 329965740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377633 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cnc1F InChI=1S/C20H14F5N7O/c1-19(4-14(20(23,24)25)33-18(27)32-19)12-3-10(7-29-16(12)22)31-17-15-11(13(21)8-30-17)2-9(5-26)6-28-15/h2-3,6-8,14H,4H2,1H3,(H2,27,32)(H,30,31)/t14-,19-/m0/s1 ONSSCAPLXLEXND-LIRRHRJNSA-N 214877 US9296734, 78 Beta-secretase 1 Homo sapiens 61.3 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732134 329965752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377634 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H14ClF5N6O/c20-9-3-13-15(27-6-9)16(29-8-28-13)30-10-1-2-12(22)11(4-10)18(7-21)5-14(19(23,24)25)32-17(26)31-18/h1-4,6,8,14H,5,7H2,(H2,26,31)(H,28,29,30)/t14-,18+/m0/s1 CVTKHHCVVGKASF-KBXCAEBGSA-N 214810 US9296734, 11 Beta-secretase 1 Homo sapiens 27.2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372932 329965687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377635 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C20H14F5N7O/c1-27-11-5-14-16(28-7-11)17(30-9-29-14)31-10-2-3-13(22)12(4-10)19(8-21)6-15(20(23,24)25)33-18(26)32-19/h2-5,7,9,15H,6,8H2,(H2,26,32)(H,29,30,31)/t15-,19+/m0/s1 FXIBSISNODTNIJ-HNAYVOBHSA-N 214822 US9296734, 23 Beta-secretase 1 Homo sapiens 25.6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221527 329965698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377636 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F5N4O3/c1-30-11-3-5-14(26-8-11)16(29)27-10-2-4-13(21)12(6-10)18(9-20)7-15(19(22,23)24)31-17(25)28-18/h2-6,8,15H,7,9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 HHBMLXDPSJOPLK-MAUKXSAKSA-N 214848 US9296734, 49 Beta-secretase 1 Homo sapiens 29 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668050 329965724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377637 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1 MELQHVBGGSKVJQ-YJBOKZPZSA-N 50432601 CHEMBL2347208::US9296734, 102 Beta-secretase 1 Homo sapiens 30.4 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HL 4J1F 71305058 164161476 CHEMBL2347208 ZINC95604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377638 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cnc1F InChI=1S/C19H15ClF4N6O/c1-18(6-13(19(22,23)24)31-17(25)30-18)12-5-11(8-28-15(12)21)29-16-14-9(2-3-26-16)4-10(20)7-27-14/h2-5,7-8,13H,6H2,1H3,(H2,25,30)(H,26,29)/t13-,18-/m0/s1 UTRZDSNQTMKVHA-UGSOOPFHSA-N 214875 US9296734, 76 Beta-secretase 1 Homo sapiens 32.9 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321122 329965750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377639 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)cnc1F InChI=1S/C18H14ClF4N7O/c1-17(4-12(18(21,22)23)31-16(24)30-17)10-3-9(6-26-14(10)20)29-15-13-11(27-7-28-15)2-8(19)5-25-13/h2-3,5-7,12H,4H2,1H3,(H2,24,30)(H,27,28,29)/t12-,17-/m0/s1 GDGGLXWHVCHUOD-SJCJKPOMSA-N 214873 US9296734, 74 Beta-secretase 1 Homo sapiens 88 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320811 329965748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377640 Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C19H16F4N6O2/c1-9-3-10(6-24)7-26-14(9)16(30)28-11-4-12(15(20)27-8-11)18(2)5-13(19(21,22)23)31-17(25)29-18/h3-4,7-8,13H,5H2,1-2H3,(H2,25,29)(H,28,30)/t13-,18-/m0/s1 AOLLQRLVRFPHMU-UGSOOPFHSA-N 214866 US9296734, 67 Beta-secretase 1 Homo sapiens 34.8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321761 329965741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377641 COc1cnc(C(=O)Nc2cnc(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)10-3-8(6-26-14(10)20)27-15(29)13-11(19)4-9(30-2)7-25-13/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 QDBLNVMBHVAXAF-SJCJKPOMSA-N 214868 US9296734, 69 Beta-secretase 1 Homo sapiens 48.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321760 329965743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377642 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cnc1F InChI=1S/C20H15F4N7O/c1-19(6-14(20(22,23)24)32-18(26)31-19)13-5-12(9-29-16(13)21)30-17-15-11(2-3-27-17)4-10(7-25)8-28-15/h2-5,8-9,14H,6H2,1H3,(H2,26,31)(H,27,30)/t14-,19-/m0/s1 VFSFJNSLXGLHOI-LIRRHRJNSA-N 214876 US9296734, 77 Beta-secretase 1 Homo sapiens 95.6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320809 329965751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377643 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C#N)cnc1F InChI=1S/C19H14F4N8O/c1-18(4-13(19(21,22)23)32-17(25)31-18)11-3-10(7-27-15(11)20)30-16-14-12(28-8-29-16)2-9(5-24)6-26-14/h2-3,6-8,13H,4H2,1H3,(H2,25,31)(H,28,29,30)/t13-,18-/m0/s1 KJBKHJJJGKNGTR-UGSOOPFHSA-N 214874 US9296734, 75 Beta-secretase 1 Homo sapiens 368 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320810 329965749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377644 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)cnc1F InChI=1S/C17H13Cl2F4N5O2/c1-16(4-11(17(21,22)23)30-15(24)28-16)9-3-8(6-26-13(9)20)27-14(29)12-10(19)2-7(18)5-25-12/h2-3,5-6,11H,4H2,1H3,(H2,24,28)(H,27,29)/t11-,16-/m0/s1 WTQJLKGKDKGXBB-ZBEGNZNMSA-N 214867 US9296734, 68 Beta-secretase 1 Homo sapiens 75.1 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321449 329965742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377645 Cc1cc(Cl)cnc1C(=S)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4OS/c1-9-4-10(20)7-27-15(9)16(31)28-11-2-3-13(22)12(5-11)18(8-21)6-14(19(23,24)25)30-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,31)/t14-,18+/m0/s1 KWXZSPGMEBATPQ-KBXCAEBGSA-N 214889 US9296734, 90 Beta-secretase 1 Homo sapiens 1760 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321448 329965764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377646 Cc1c(nc2ccccn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O2/c1-11-17(29-16-4-2-3-7-31(11)16)18(32)28-12-5-6-14(23)13(8-12)20(10-22)9-15(21(24,25)26)33-19(27)30-20/h2-8,15H,9-10H2,1H3,(H2,27,30)(H,28,32)/t15-,20+/m0/s1 VBRNPACCSYLXRZ-MGPUTAFESA-N 214806 US9296734, 7 Beta-secretase 1 Homo sapiens 1520 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320808 329965683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377647 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F InChI=1S/C18H14F7N5O2/c1-17(4-12(18(23,24)25)32-16(26)30-17)8-2-7(3-9(19)13(8)20)29-15(31)11-6-27-10(5-28-11)14(21)22/h2-3,5-6,12,14H,4H2,1H3,(H2,26,30)(H,29,31)/t12-,17-/m0/s1 VTVGTRYCYBHBOJ-SJCJKPOMSA-N 215000 US9296734, 193 Beta-secretase 1 Homo sapiens 46.1 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373194 329965871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377648 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C20H14F5N7O/c1-19(5-13(20(23,24)25)33-18(27)32-19)16-11(21)2-3-14(30-16)31-17-15-10(12(22)8-29-17)4-9(6-26)7-28-15/h2-4,7-8,13H,5H2,1H3,(H2,27,32)(H,29,30,31)/t13-,19-/m0/s1 WFWYGKDLGMHHLO-DJJJIMSYSA-N 214888 US9296734, 89 Beta-secretase 1 Homo sapiens 188 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320807 329965763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377649 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C18H13ClF7N5O2/c1-16(5-10(18(24,25)26)33-15(27)31-16)13-9(20)2-3-11(29-13)30-14(32)12-8(19)4-7(6-28-12)17(21,22)23/h2-4,6,10H,5H2,1H3,(H2,27,31)(H,29,30,32)/t10-,16-/m0/s1 XUSLPMBGYMTYIP-QFYYESIMSA-N 214880 US9296734, 81 Beta-secretase 1 Homo sapiens 124 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321446 329965755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377650 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClF4N6O2/c1-17(5-11(18(21,22)23)31-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(6-24)7-26-13/h2-4,7,11H,5H2,1H3,(H2,25,29)(H,27,28,30)/t11-,17-/m0/s1 SEDNJKRDPITJTN-GTNSWQLSSA-N 214881 US9296734, 82 Beta-secretase 1 Homo sapiens 18.8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321445 329965756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377651 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F6N4O2/c19-8-17(6-14(18(22,23)24)30-16(25)28-17)11-5-10(2-3-12(11)21)27-15(29)13-4-1-9(20)7-26-13/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1 NJIHNSPWTBSFKB-WMLDXEAASA-N 214856 US9296734, 57 Beta-secretase 1 Homo sapiens 72.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321444 329965732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377652 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H13Cl2F5N4O2/c19-8-3-11(20)14(27-6-8)15(30)28-9-1-2-12(22)10(4-9)17(7-21)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 SXGOGHFRCNZQNM-SUMWQHHRSA-N 214857 US9296734, 58 Beta-secretase 1 Homo sapiens 23 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668049 329965733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377653 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF4N5O2/c1-16(6-11(17(20,21)22)29-15(23)27-16)13-9(19)3-5-12(25-13)26-14(28)10-4-2-8(18)7-24-10/h2-5,7,11H,6H2,1H3,(H2,23,27)(H,25,26,28)/t11-,16-/m0/s1 FWHRMLYVMNQBGS-ZBEGNZNMSA-N 214882 US9296734, 83 Beta-secretase 1 Homo sapiens 103 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321127 329965757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377654 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C19H16F4N6O2/c1-9-5-10(7-24)8-26-14(9)16(30)28-13-4-3-11(20)15(27-13)18(2)6-12(19(21,22)23)31-17(25)29-18/h3-5,8,12H,6H2,1-2H3,(H2,25,29)(H,27,28,30)/t12-,18-/m0/s1 RJBTVAGNSNUOCY-SGTLLEGYSA-N 214883 US9296734, 84 Beta-secretase 1 Homo sapiens 27.4 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321126 329965758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377655 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cc2Cl)ccc1F InChI=1S/C18H13BrClF5N4O2/c19-8-3-11(20)14(27-6-8)15(30)28-9-1-2-12(22)10(4-9)17(7-21)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 BWKHCKWUYYLDFL-SUMWQHHRSA-N 214855 US9296734, 56 Beta-secretase 1 Homo sapiens 27.8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321125 329965731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377656 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H13ClF5N5O2/c18-8-1-3-10(25-6-8)14(29)27-12-4-2-9(20)13(26-12)16(7-19)5-11(17(21,22)23)30-15(24)28-16/h1-4,6,11H,5,7H2,(H2,24,28)(H,26,27,29)/t11-,16+/m0/s1 KABMVXFBTNXXDR-MEDUHNTESA-N 214938 US9296734, 136 Beta-secretase 1 Homo sapiens 32000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373218 329965813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377657 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1cncc(c1)C#N InChI=1S/C18H13F5N4O/c19-9-17(5-15(18(21,22)23)28-16(25)27-17)13-4-11(1-2-14(13)20)12-3-10(6-24)7-26-8-12/h1-4,7-8,15H,5,9H2,(H2,25,27)/t15-,17+/m0/s1 LDPGWWMERKOONX-DOTOQJQBSA-N 214904 US9296734, 103 Beta-secretase 1 Homo sapiens 3420 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732149 329965779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377658 COC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 InChI=1S/C19H16F5N3O4/c1-29-16(28)10-4-5-26-15(6-10)30-11-2-3-13(21)12(7-11)18(9-20)8-14(19(22,23)24)31-17(25)27-18/h2-7,14H,8-9H2,1H3,(H2,25,27)/t14-,18+/m0/s1 KUHXAKYQJRXJGH-KBXCAEBGSA-N 214907 US9296734, 106 Beta-secretase 1 Homo sapiens 4070 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372961 329965782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377659 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cnccn2)ccc1F InChI=1S/C16H13F5N4O2/c17-8-15(6-12(16(19,20)21)27-14(22)25-15)10-5-9(1-2-11(10)18)26-13-7-23-3-4-24-13/h1-5,7,12H,6,8H2,(H2,22,25)/t12-,15+/m0/s1 RCRIODLOKFVBKZ-SWLSCSKDSA-N 214892 US9296734, 92 Beta-secretase 1 Homo sapiens 1640 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732148 329965767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377660 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 BLTKBPLCDMBXIL-XJKSGUPXSA-N 214893 US9296734, 93 Beta-secretase 1 Homo sapiens 896 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372839 329965768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377661 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 BLTKBPLCDMBXIL-XJKSGUPXSA-N 214893 US9296734, 93 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372839 329965768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377662 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C17H13F6N3O2/c18-8-16(7-13(17(21,22)23)28-15(24)26-16)10-6-9(3-4-11(10)19)27-14-12(20)2-1-5-25-14/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 PZOIBDWDOFHTCP-XJKSGUPXSA-N 214895 US9296734, 94 Beta-secretase 1 Homo sapiens 398 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380068 329965770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377663 COC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 InChI=1S/C19H16F5N3O4/c1-29-16(28)10-4-5-26-15(6-10)30-11-2-3-13(21)12(7-11)18(9-20)8-14(19(22,23)24)31-17(25)27-18/h2-7,14H,8-9H2,1H3,(H2,25,27)/t14-,18+/m0/s1 KUHXAKYQJRXJGH-KBXCAEBGSA-N 214907 US9296734, 106 Beta-secretase 1 Homo sapiens 1360 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372961 329965782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377664 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncc(Cl)cc2F)ccc1F InChI=1S/C17H12ClF6N3O2/c18-8-3-12(21)14(26-6-8)28-9-1-2-11(20)10(4-9)16(7-19)5-13(17(22,23)24)29-15(25)27-16/h1-4,6,13H,5,7H2,(H2,25,27)/t13-,16+/m0/s1 SNHXIEQWICIVNI-XJKSGUPXSA-N 214896 US9296734, 95 Beta-secretase 1 Homo sapiens 2890 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372915 329965771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377665 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2C#N)ccc1F InChI=1S/C18H13F5N4O2/c19-9-17(7-14(18(21,22)23)29-16(25)27-17)12-6-11(3-4-13(12)20)28-15-10(8-24)2-1-5-26-15/h1-6,14H,7,9H2,(H2,25,27)/t14-,17+/m0/s1 AUNCNQOOBYHNQN-WMLDXEAASA-N 214908 US9296734, 107 Beta-secretase 1 Homo sapiens 5870 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373245 329965783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377666 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccn2)ccc1F InChI=1S/C16H13F5N4O2/c17-8-15(7-12(16(19,20)21)27-13(22)25-15)10-6-9(2-3-11(10)18)26-14-23-4-1-5-24-14/h1-6,12H,7-8H2,(H2,22,25)/t12-,15+/m0/s1 CKDWVTYJRHIJRQ-SWLSCSKDSA-N 214909 US9296734, 108 Beta-secretase 1 Homo sapiens 9970 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373212 329965784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377667 CNC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 InChI=1S/C19H17F5N4O3/c1-26-16(29)10-4-5-27-15(6-10)30-11-2-3-13(21)12(7-11)18(9-20)8-14(19(22,23)24)31-17(25)28-18/h2-7,14H,8-9H2,1H3,(H2,25,28)(H,26,29)/t14-,18+/m0/s1 GTJYYQGHZSAKEF-KBXCAEBGSA-N 214897 US9296734, 96 Beta-secretase 1 Homo sapiens 8130 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373057 329965772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377668 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2nccc(c2F)C(F)(F)F)ccc1F InChI=1S/C18H12F9N3O2/c19-7-16(6-12(18(25,26)27)32-15(28)30-16)10-5-8(1-2-11(10)20)31-14-13(21)9(3-4-29-14)17(22,23)24/h1-5,12H,6-7H2,(H2,28,30)/t12-,16+/m0/s1 ZKPWDRUCTOKPHI-BLLLJJGKSA-N 214910 US9296734, 109 Beta-secretase 1 Homo sapiens 9520 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373043 329965785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377669 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2Cl)ccc1F InChI=1S/C17H13ClF5N3O2/c18-11-2-1-5-25-14(11)27-9-3-4-12(20)10(6-9)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 XRSAAOSZIHJCAU-XJKSGUPXSA-N 214898 US9296734, 97 Beta-secretase 1 Homo sapiens 993 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373030 329965773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377670 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cccc(n2)C(F)(F)F)ccc1F InChI=1S/C18H13F8N3O2/c19-8-16(7-13(18(24,25)26)31-15(27)29-16)10-6-9(4-5-11(10)20)30-14-3-1-2-12(28-14)17(21,22)23/h1-6,13H,7-8H2,(H2,27,29)/t13-,16+/m0/s1 QIFYHPHEHQRDPC-XJKSGUPXSA-N 214911 US9296734, 110 Beta-secretase 1 Homo sapiens 3410 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373188 329965786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377671 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)cc(Cl)n2)ccc1F InChI=1S/C17H12BrClF5N3O2/c18-8-3-13(19)26-14(4-8)28-9-1-2-11(21)10(5-9)16(7-20)6-12(17(22,23)24)29-15(25)27-16/h1-5,12H,6-7H2,(H2,25,27)/t12-,16+/m0/s1 NNPNVJMRYAFUEL-BLLLJJGKSA-N 214899 US9296734, 98 Beta-secretase 1 Homo sapiens 1950 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380069 329965774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377672 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(ccn2)C(F)(F)F)ccc1F InChI=1S/C18H13F8N3O2/c19-8-16(7-13(18(24,25)26)31-15(27)29-16)11-6-10(1-2-12(11)20)30-14-5-9(3-4-28-14)17(21,22)23/h1-6,13H,7-8H2,(H2,27,29)/t13-,16+/m0/s1 IEZGFSJHDOMVTB-XJKSGUPXSA-N 214900 US9296734, 99 Beta-secretase 1 Homo sapiens 3170 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372937 329965775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377673 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(ccn2)-c2ccccc2)ccc1F InChI=1S/C23H18F5N3O2/c24-13-22(12-19(23(26,27)28)33-21(29)31-22)17-11-16(6-7-18(17)25)32-20-10-15(8-9-30-20)14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H2,29,31)/t19-,22+/m0/s1 GKGPKGXSNGXVLX-SIKLNZKXSA-N 214903 US9296734, 102 Beta-secretase 1 Homo sapiens 830 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372794 329965778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377674 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(N)cnc1F InChI=1S/C11H11F5N4O/c12-4-10(6-1-5(17)3-19-8(6)13)2-7(11(14,15)16)21-9(18)20-10/h1,3,7H,2,4,17H2,(H2,18,20)/t7-,10+/m0/s1 JLHVUZMQJMBDBI-OIBJUYFYSA-N 214941 US9296734, 138 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732195 329965816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377675 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H13ClF5N5O2/c18-8-1-2-11(25-5-8)14(29)27-9-3-10(13(20)26-6-9)16(7-19)4-12(17(21,22)23)30-15(24)28-16/h1-3,5-6,12H,4,7H2,(H2,24,28)(H,27,29)/t12-,16+/m0/s1 VHFDRILWGLQYGO-BLLLJJGKSA-N 214943 US9296734, 139 Beta-secretase 1 Homo sapiens 96.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732197 329965818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377676 Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C19H15F5N6O2/c1-9-2-10(5-25)6-27-14(9)16(31)29-11-3-12(15(21)28-7-11)18(8-20)4-13(19(22,23)24)32-17(26)30-18/h2-3,6-7,13H,4,8H2,1H3,(H2,26,30)(H,29,31)/t13-,18+/m0/s1 FAMQARXBUVCIHO-SCLBCKFNSA-N 214944 US9296734, 140 Beta-secretase 1 Homo sapiens 113 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732198 329965819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377677 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H13F5N6O2/c19-8-17(4-13(18(21,22)23)31-16(25)29-17)11-3-10(7-27-14(11)20)28-15(30)12-2-1-9(5-24)6-26-12/h1-3,6-7,13H,4,8H2,(H2,25,29)(H,28,30)/t13-,17+/m0/s1 QHERQDCOGJOAIH-SUMWQHHRSA-N 214945 US9296734, 141 Beta-secretase 1 Homo sapiens 171 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732199 329965820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377678 COc1ccc(nc1)C(=O)Nc1cnc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-30-10-2-3-12(25-7-10)15(29)27-9-4-11(14(20)26-6-9)17(8-19)5-13(18(21,22)23)31-16(24)28-17/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17+/m0/s1 MYBWSBFMLSJZHA-SUMWQHHRSA-N 214946 US9296734, 142 Beta-secretase 1 Homo sapiens 114 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732200 329965821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377679 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF4N4O2/c19-11-4-5-13(25-8-11)15(28)26-12-3-1-2-10(6-12)17(9-20)7-14(18(21,22)23)29-16(24)27-17/h1-6,8,14H,7,9H2,(H2,24,27)(H,26,28)/t14-,17+/m0/s1 QAZFGWQKRSWCHW-WMLDXEAASA-N 214948 US9296734, 143 Beta-secretase 1 Homo sapiens 117 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732210 329965823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377680 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C19H15F4N5O2/c20-10-18(7-15(19(21,22)23)30-17(25)28-18)12-2-1-3-13(6-12)27-16(29)14-5-4-11(8-24)9-26-14/h1-6,9,15H,7,10H2,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 GIRLXEOJFTYCJV-MAUKXSAKSA-N 214949 US9296734, 144 Beta-secretase 1 Homo sapiens 89.2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372984 329965824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377681 COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H18F4N4O3/c1-29-13-5-6-14(25-9-13)16(28)26-12-4-2-3-11(7-12)18(10-20)8-15(19(21,22)23)30-17(24)27-18/h2-7,9,15H,8,10H2,1H3,(H2,24,27)(H,26,28)/t15-,18+/m0/s1 URKAGSPSTOXMJN-MAUKXSAKSA-N 214950 US9296734, 145 Beta-secretase 1 Homo sapiens 334 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372790 329965825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377682 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(Nc2nccc3cc(Cl)cnc23)c1 InChI=1S/C20H16ClF4N5O/c21-13-6-11-4-5-27-17(16(11)28-9-13)29-14-3-1-2-12(7-14)19(10-22)8-15(20(23,24)25)31-18(26)30-19/h1-7,9,15H,8,10H2,(H2,26,30)(H,27,29)/t15-,19+/m0/s1 WUZUAEBAYWXFPN-HNAYVOBHSA-N 214951 US9296734, 146 Beta-secretase 1 Homo sapiens 67 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373045 329965826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377683 COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17ClF3N5O3/c1-17(6-13(18(20,21)22)30-16(23)27-17)11-5-10(8-25-15(11)29-2)26-14(28)12-4-3-9(19)7-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,27)(H,26,28)/t13-,17-/m0/s1 GHQNDDOLLUWAEX-GUYCJALGSA-N 214952 US9296734, 147 Beta-secretase 1 Homo sapiens 249 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732213 329965827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377684 Cn1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(c1=O)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F3N6O3/c1-18(7-14(19(20,21)22)31-17(23)27-18)12-6-11(9-28(3)16(12)30)26-15(29)13-5-4-10(24-2)8-25-13/h4-6,8-9,14H,7H2,1,3H3,(H2,23,27)(H,26,29)/t14-,18-/m0/s1 URDLEYOXJFCRBU-KSSFIOAISA-N 214954 US9296734, 149 Beta-secretase 1 Homo sapiens 239 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221530 329965829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377685 Cn1cc(NC(=O)c2ccc(Cl)cn2)cc(c1=O)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17ClF3N5O3/c1-17(6-13(18(20,21)22)30-16(23)26-17)11-5-10(8-27(2)15(11)29)25-14(28)12-4-3-9(19)7-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,26)(H,25,28)/t13-,17-/m0/s1 VVZBXLLBZPUQTA-GUYCJALGSA-N 214953 US9296734, 148 Beta-secretase 1 Homo sapiens 366 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732216 329965828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377686 Cc1cc(cnc1C(=O)Nc1cc(c(=O)n(C)c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)[N+]#[C-] InChI=1S/C20H19F3N6O3/c1-10-5-11(25-3)8-26-15(10)16(30)27-12-6-13(17(31)29(4)9-12)19(2)7-14(20(21,22)23)32-18(24)28-19/h5-6,8-9,14H,7H2,1-2,4H3,(H2,24,28)(H,27,30)/t14-,19-/m0/s1 IMYLDBAEJBMUTQ-LIRRHRJNSA-N 214955 US9296734, 150 Beta-secretase 1 Homo sapiens 121 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221531 329965830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377687 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)nccc2c1 InChI=1S/C21H18F5N5O2/c1-32-13-6-11-4-5-28-18(17(11)29-9-13)30-12-2-3-15(23)14(7-12)20(10-22)8-16(21(24,25)26)33-19(27)31-20/h2-7,9,16H,8,10H2,1H3,(H2,27,31)(H,28,30)/t16-,20+/m0/s1 PPYQHFMHFSENLU-OXJNMPFZSA-N 214811 US9296734, 12 Beta-secretase 1 Homo sapiens 375 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373140 329965688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377688 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)ncnc2c1 InChI=1S/C20H17F5N6O2/c1-32-11-5-14-16(27-7-11)17(29-9-28-14)30-10-2-3-13(22)12(4-10)19(8-21)6-15(20(23,24)25)33-18(26)31-19/h2-5,7,9,15H,6,8H2,1H3,(H2,26,31)(H,28,29,30)/t15-,19+/m0/s1 YCEXVDPBJXUFCT-HNAYVOBHSA-N 214812 US9296734, 13 Beta-secretase 1 Homo sapiens 72.2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373214 329965689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377689 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F6N5O3/c1-8-5-9(32-16(21)22)7-27-13(8)15(31)29-12-4-3-10(20)14(28-12)18(2)6-11(19(23,24)25)33-17(26)30-18/h3-5,7,11,16H,6H2,1-2H3,(H2,26,30)(H,28,29,31)/t11-,18-/m0/s1 BQDHJFDZJGFRGD-VOJFVSQTSA-N 214884 US9296734, 85 Beta-secretase 1 Homo sapiens 103 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372943 329965759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377690 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Br)cc2Cl)ccc1F InChI=1S/C17H13BrClF4N5O2/c1-16(5-10(17(21,22)23)30-15(24)28-16)13-9(20)2-3-11(26-13)27-14(29)12-8(19)4-7(18)6-25-12/h2-4,6,10H,5H2,1H3,(H2,24,28)(H,26,27,29)/t10-,16-/m0/s1 PSJPVNQAMAUNCL-QFYYESIMSA-N 214885 US9296734, 86 Beta-secretase 1 Homo sapiens 33.6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372823 329965760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377691 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C19H16F4N6O3/c1-3-6-31-14-9-25-11(8-26-14)16(30)28-13-5-4-10(20)15(27-13)18(2)7-12(19(21,22)23)32-17(24)29-18/h1,4-5,8-9,12H,6-7H2,2H3,(H2,24,29)(H,27,28,30)/t12-,18-/m0/s1 IVYZSVSPKSDHAE-SGTLLEGYSA-N 214886 US9296734, 87 Beta-secretase 1 Homo sapiens 25.4 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372933 329965761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377692 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C21H18F4N4O3/c1-3-8-31-13-5-7-16(27-11-13)18(30)28-12-4-6-15(22)14(9-12)20(2)10-17(21(23,24)25)32-19(26)29-20/h1,4-7,9,11,17H,8,10H2,2H3,(H2,26,29)(H,28,30)/t17-,20-/m0/s1 AZZGFFZEMLXLBI-PXNSSMCTSA-N 214828 US9296734, 28 Beta-secretase 1 Homo sapiens 17.6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373328 329965704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377693 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 InChI=1S/C19H13ClF5N3O2/c20-10-2-4-13-14(6-10)29-16(27-13)9-1-3-12(22)11(5-9)18(8-21)7-15(19(23,24)25)30-17(26)28-18/h1-6,15H,7-8H2,(H2,26,28)/t15-,18+/m0/s1 SBFYDEMGEKSXPD-MAUKXSAKSA-N 214906 US9296734, 105 Beta-secretase 1 Homo sapiens 542 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86279476 329965781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377694 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16F5N3O/c1-2-3-12-6-14(10-27-9-12)13-4-5-16(22)15(7-13)19(11-21)8-17(20(23,24)25)29-18(26)28-19/h4-7,9-10,17H,8,11H2,1H3,(H2,26,28)/t17-,19+/m0/s1 DHWUQWORXAPEQU-PKOBYXMFSA-N 214905 US9296734, 104 Beta-secretase 1 Homo sapiens 318 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732150 329965780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377695 C[Si](C)(C)C#Cc1ccc(cn1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H22F5N3OSi/c1-32(2,3)9-8-16-6-4-15(12-29-16)14-5-7-18(24)17(10-14)21(13-23)11-19(22(25,26)27)31-20(28)30-21/h4-7,10,12,19H,11,13H2,1-3H3,(H2,28,30)/t19-,21+/m0/s1 TXEXYNLIFRHREB-PZJWPPBQSA-N 214912 US9296734, 111 Beta-secretase 1 Homo sapiens 37200 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732153 329965787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377696 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc(nc1)C#C InChI=1S/C19H14F5N3O/c1-2-13-5-3-12(9-26-13)11-4-6-15(21)14(7-11)18(10-20)8-16(19(22,23)24)28-17(25)27-18/h1,3-7,9,16H,8,10H2,(H2,25,27)/t16-,18+/m0/s1 IPSZDIRCXGMIKX-FUHWJXTLSA-N 214913 US9296734, 112 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732154 329965788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377697 CC#Cc1ccc(cn1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16F5N3O/c1-2-3-14-6-4-13(10-27-14)12-5-7-16(22)15(8-12)19(11-21)9-17(20(23,24)25)29-18(26)28-19/h4-8,10,17H,9,11H2,1H3,(H2,26,28)/t17-,19+/m0/s1 LNHBNRHZKHIMAL-PKOBYXMFSA-N 214914 US9296734, 113 Beta-secretase 1 Homo sapiens 27400 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373311 329965789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377698 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ncc2cc(F)ccc2n1 InChI=1S/C20H14F6N4O/c21-9-19(7-16(20(24,25)26)31-18(27)30-19)13-6-10(1-3-14(13)23)17-28-8-11-5-12(22)2-4-15(11)29-17/h1-6,8,16H,7,9H2,(H2,27,30)/t16-,19+/m0/s1 LNKIBKDCFYGLFQ-QFBILLFUSA-N 214915 US9296734, 114 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372801 329965790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377699 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc2cc(F)ccc2n1 InChI=1S/C21H15F6N3O/c22-10-20(9-18(21(25,26)27)31-19(28)30-20)14-8-12(1-4-15(14)24)16-5-2-11-7-13(23)3-6-17(11)29-16/h1-8,18H,9-10H2,(H2,28,30)/t18-,20+/m0/s1 YILQIXUDHIWHLI-AZUAARDMSA-N 214917 US9296734, 116 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373268 329965792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377700 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc2ccc(F)cc2n1 InChI=1S/C21H15F6N3O/c22-10-20(9-18(21(25,26)27)31-19(28)30-20)14-7-12(2-5-15(14)24)16-6-3-11-1-4-13(23)8-17(11)29-16/h1-8,18H,9-10H2,(H2,28,30)/t18-,20+/m0/s1 UHSSQPZEAZMYFY-AZUAARDMSA-N 214918 US9296734, 117 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373074 329965793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377701 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nc3ccc(Cl)cc3o2)ccc1F InChI=1S/C19H15ClF4N4O2/c1-18(8-15(19(22,23)24)30-16(25)28-18)11-7-10(3-4-12(11)21)26-17-27-13-5-2-9(20)6-14(13)29-17/h2-7,15H,8H2,1H3,(H2,25,28)(H,26,27)/t15-,18-/m0/s1 UPLXDXPJVCXTNE-YJBOKZPZSA-N 214829 US9296734, 29 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732124 329965705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377702 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1cncc(c1)-c1nnco1 InChI=1S/C19H14F5N5O2/c20-8-18(5-15(19(22,23)24)31-17(25)28-18)13-4-10(1-2-14(13)21)11-3-12(7-26-6-11)16-29-27-9-30-16/h1-4,6-7,9,15H,5,8H2,(H2,25,28)/t15-,18+/m0/s1 YYGUFYAAYKWHBT-MAUKXSAKSA-N 214919 US9296734, 118 Beta-secretase 1 Homo sapiens 8360 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373258 329965794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377703 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nc3cc(Cl)ccc3o2)ccc1F InChI=1S/C19H15ClF4N4O2/c1-18(8-15(19(22,23)24)30-16(25)28-18)11-7-10(3-4-12(11)21)26-17-27-13-6-9(20)2-5-14(13)29-17/h2-7,15H,8H2,1H3,(H2,25,28)(H,26,27)/t15-,18-/m0/s1 HIVPMXQNVHLELJ-YJBOKZPZSA-N 214830 US9296734, 30 Beta-secretase 1 Homo sapiens 26800 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373205 329965706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377704 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncccc2F)ccc1F InChI=1S/C17H14F6N4O/c18-8-16(7-13(17(21,22)23)28-15(24)27-16)10-6-9(3-4-11(10)19)26-14-12(20)2-1-5-25-14/h1-6,13H,7-8H2,(H2,24,27)(H,25,26)/t13-,16+/m0/s1 GDUSNHCSCKNJDG-XJKSGUPXSA-N 214813 US9296734, 14 Beta-secretase 1 Homo sapiens 574 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372859 329965690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377705 COc1cccnc1Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17F5N4O2/c1-28-13-3-2-6-25-15(13)26-10-4-5-12(20)11(7-10)17(9-19)8-14(18(21,22)23)29-16(24)27-17/h2-7,14H,8-9H2,1H3,(H2,24,27)(H,25,26)/t14-,17+/m0/s1 ZRECHVBPKMGVMR-WMLDXEAASA-N 214814 US9296734, 15 Beta-secretase 1 Homo sapiens 165 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373428 329965691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377706 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2cc(Cl)ccn2)ccc1F InChI=1S/C17H14ClF5N4O/c18-9-3-4-25-14(5-9)26-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)27-16/h1-6,13H,7-8H2,(H2,24,27)(H,25,26)/t13-,16+/m0/s1 VISQHWDWNXZVRO-XJKSGUPXSA-N 214815 US9296734, 16 Beta-secretase 1 Homo sapiens 23700 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732156 329965692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377707 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ccnc(Br)c2)ccc1F InChI=1S/C17H14BrF5N4O/c18-14-6-10(3-4-25-14)26-9-1-2-12(20)11(5-9)16(8-19)7-13(17(21,22)23)28-15(24)27-16/h1-6,13H,7-8H2,(H2,24,27)(H,25,26)/t13-,16+/m0/s1 BFEJKLKXVPTLDJ-XJKSGUPXSA-N 214816 US9296734, 17 Beta-secretase 1 Homo sapiens 6490 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373053 329965693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377708 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2cc(ccn2)-c2ccccc2)ccc1F InChI=1S/C23H19F5N4O/c24-13-22(12-19(23(26,27)28)33-21(29)32-22)17-11-16(6-7-18(17)25)31-20-10-15(8-9-30-20)14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H2,29,32)(H,30,31)/t19-,22+/m0/s1 OMZLCNLYCYMZHV-SIKLNZKXSA-N 214916 US9296734, 115 Beta-secretase 1 Homo sapiens 7880 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732155 329965791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377709 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cccc(Cl)n2)ccc1F InChI=1S/C17H13ClF5N3O2/c18-13-2-1-3-14(25-13)27-9-4-5-11(20)10(6-9)16(8-19)7-12(17(21,22)23)28-15(24)26-16/h1-6,12H,7-8H2,(H2,24,26)/t12-,16+/m0/s1 SFXSTJPWHBYXAA-BLLLJJGKSA-N 214901 US9296734, 100 Beta-secretase 1 Homo sapiens 1570 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373099 329965776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377710 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ccccn2)ccc1F InChI=1S/C17H14F5N3O2/c18-9-16(8-13(17(20,21)22)27-15(23)25-16)11-7-10(4-5-12(11)19)26-14-3-1-2-6-24-14/h1-7,13H,8-9H2,(H2,23,25)/t13-,16+/m0/s1 HKNKUOLXKSNPAZ-XJKSGUPXSA-N 214902 US9296734, 101 Beta-secretase 1 Homo sapiens 560 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373220 329965777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377711 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ccnc(c2)C#N)ccc1F InChI=1S/C18H14F5N5O/c19-9-17(7-15(18(21,22)23)29-16(25)28-17)13-6-10(1-2-14(13)20)27-11-3-4-26-12(5-11)8-24/h1-6,15H,7,9H2,(H2,25,28)(H,26,27)/t15-,17+/m0/s1 JPFOYLHJDGSLGD-DOTOQJQBSA-N 214823 US9296734, 24 Beta-secretase 1 Homo sapiens 19000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372857 329965699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377712 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H13ClF6N6O2/c1-15(4-8(16(21,22)23)31-14(24)27-15)11-7(18)2-3-9(25-11)26-12(30)10-6(17)5-29(28-10)13(19)20/h2-3,5,8,13H,4H2,1H3,(H2,24,27)(H,25,26,30)/t8-,15-/m0/s1 QULLJJPMSGZADZ-AYVTZFPOSA-N 214887 US9296734, 88 Beta-secretase 1 Homo sapiens 32 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86296218 329965762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377713 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C18H13ClF6N4O2/c19-8-3-12(22)14(27-6-8)15(30)28-9-1-2-11(21)10(4-9)17(7-20)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 UZHJMGZWQADGGB-SUMWQHHRSA-N 214834 US9296734, 34 Beta-secretase 1 Homo sapiens 51 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372960 329965710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377714 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H16F5N5O3/c1-2-5-32-16-9-27-14(8-28-16)17(31)29-11-3-4-13(22)12(6-11)19(10-21)7-15(20(23,24)25)33-18(26)30-19/h1,3-4,6,8-9,15H,5,7,10H2,(H2,26,30)(H,29,31)/t15-,19+/m0/s1 HJQKIZCMADWYMN-HNAYVOBHSA-N 214835 US9296734, 35 Beta-secretase 1 Homo sapiens 2.3 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373092 329965711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377715 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H13ClF7N5O2/c18-9-5-30(14(21)22)29-12(9)13(31)27-7-1-2-10(20)8(3-7)16(6-19)4-11(17(23,24)25)32-15(26)28-16/h1-3,5,11,14H,4,6H2,(H2,26,28)(H,27,31)/t11-,16+/m0/s1 AJNKEIVJJYXWJM-MEDUHNTESA-N 214836 US9296734, 36 Beta-secretase 1 Homo sapiens 20 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71666140 329965712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377716 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C23H19F5N4O2/c24-12-22(10-19(23(26,27)28)34-21(29)32-22)16-9-15(6-7-17(16)25)31-20(33)18-8-5-14(11-30-18)4-3-13-1-2-13/h5-9,11,13,19H,1-2,10,12H2,(H2,29,32)(H,31,33)/t19-,22+/m0/s1 PIQHHBYCBNFASS-SIKLNZKXSA-N 214852 US9296734, 53 Beta-secretase 1 Homo sapiens 23 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732128 329965728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377717 Cc1cc(OCC2CC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C23H23F5N4O3/c1-12-6-15(34-10-13-2-3-13)9-30-19(12)20(33)31-14-4-5-17(25)16(7-14)22(11-24)8-18(23(26,27)28)35-21(29)32-22/h4-7,9,13,18H,2-3,8,10-11H2,1H3,(H2,29,32)(H,31,33)/t18-,22+/m0/s1 WXNCHWJYOUAHGQ-PGRDOPGGSA-N 214837 US9296734, 37 Beta-secretase 1 Homo sapiens 120 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373221 329965713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377718 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F8N5O3/c1-9-15(30-6-14(31-9)35-8-19(23,24)25)16(34)32-10-2-3-12(22)11(4-10)18(7-21)5-13(20(26,27)28)36-17(29)33-18/h2-4,6,13H,5,7-8H2,1H3,(H2,29,33)(H,32,34)/t13-,18+/m0/s1 ODHABBQDVVKTQC-SCLBCKFNSA-N 214838 US9296734, 38 Beta-secretase 1 Homo sapiens 49 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373296 329965714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377719 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O3/c1-2-3-6-33-17-10-28-15(9-29-17)18(32)30-12-4-5-14(23)13(7-12)20(11-22)8-16(21(24,25)26)34-19(27)31-20/h4-5,7,9-10,16H,6,8,11H2,1H3,(H2,27,31)(H,30,32)/t16-,20+/m0/s1 ZQRUMCHTMHCZNJ-OXJNMPFZSA-N 214839 US9296734, 39 Beta-secretase 1 Homo sapiens 0.7 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71666292 329965715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377720 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)F)ccc1F InChI=1S/C19H14ClF7N4O2/c20-11-3-8(15(23)24)6-29-14(11)16(32)30-9-1-2-12(22)10(4-9)18(7-21)5-13(19(25,26)27)33-17(28)31-18/h1-4,6,13,15H,5,7H2,(H2,28,31)(H,30,32)/t13-,18+/m0/s1 PLNJNRADWOMKFK-SCLBCKFNSA-N 214840 US9296734, 40 Beta-secretase 1 Homo sapiens 130 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372778 329965716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377721 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F InChI=1S/C19H15F7N4O2/c20-8-18(6-14(19(24,25)26)32-17(27)30-18)11-5-10(2-3-12(11)21)29-16(31)13-4-1-9(7-28-13)15(22)23/h1-5,7,14-15H,6,8H2,(H2,27,30)(H,29,31)/t14-,18+/m0/s1 ZCQVZHCVHQSLIL-KBXCAEBGSA-N 214841 US9296734, 41 Beta-secretase 1 Homo sapiens 72 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668199 329965717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377722 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F7N4O3/c1-9-4-11(33-17(23)24)7-29-15(9)16(32)30-10-2-3-13(22)12(5-10)19(8-21)6-14(20(25,26)27)34-18(28)31-19/h2-5,7,14,17H,6,8H2,1H3,(H2,28,31)(H,30,32)/t14-,19+/m0/s1 NZEODUFKKLRLJY-IFXJQAMLSA-N 214842 US9296734, 42 Beta-secretase 1 Homo sapiens 26 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372938 329965718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377723 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H13ClF8N4O2/c20-11-3-8(18(23,24)25)6-30-14(11)15(33)31-9-1-2-12(22)10(4-9)17(7-21)5-13(19(26,27)28)34-16(29)32-17/h1-4,6,13H,5,7H2,(H2,29,32)(H,31,33)/t13-,17+/m0/s1 NPEULXQYTNVDQM-SUMWQHHRSA-N 214843 US9296734, 44 Beta-secretase 1 Homo sapiens 74 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373024 329965719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377724 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H14F8N6O/c21-8-18(6-14(20(26,27)28)35-17(29)34-18)10-5-9(1-2-11(10)22)32-16-15-12(3-4-30-16)33-13(7-31-15)19(23,24)25/h1-5,7,14H,6,8H2,(H2,29,34)(H,30,32)/t14-,18+/m0/s1 IURFYSRDINCJOH-KBXCAEBGSA-N 214817 US9296734, 18 Beta-secretase 1 Homo sapiens 118 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373123 329965694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377725 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F InChI=1S/C20H14ClF6N5O/c21-9-3-11-14(24)7-30-17(16(11)29-6-9)31-10-1-2-13(23)12(4-10)19(8-22)5-15(20(25,26)27)33-18(28)32-19/h1-4,6-7,15H,5,8H2,(H2,28,32)(H,30,31)/t15-,19+/m0/s1 JHWNFAOXAHDKHT-HNAYVOBHSA-N 214818 US9296734, 19 Beta-secretase 1 Homo sapiens 29 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372925 329965695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377726 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H19F6N5O/c26-12-24(9-20(25(29,30)31)37-23(32)36-24)17-8-15(5-6-18(17)27)35-22-21-16(19(28)11-34-22)7-14(10-33-21)4-3-13-1-2-13/h5-8,10-11,13,20H,1-2,9,12H2,(H2,32,36)(H,34,35)/t20-,24+/m0/s1 NFBLCWCDSNPHRU-GBXCKJPGSA-N 214853 US9296734, 54 Beta-secretase 1 Homo sapiens 33 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380057 329965729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377727 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H20F5N5O/c26-13-24(11-20(25(28,29)30)36-23(31)35-24)18-10-17(5-6-19(18)27)34-22-21-16(7-8-32-22)9-15(12-33-21)4-3-14-1-2-14/h5-10,12,14,20H,1-2,11,13H2,(H2,31,35)(H,32,34)/t20-,24+/m0/s1 ZQMBZFBSBQLNJQ-GBXCKJPGSA-N 214854 US9296734, 55 Beta-secretase 1 Homo sapiens 98 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373138 329965730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377728 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cn(nc23)C(F)F)ccc1F InChI=1S/C19H15F7N6O/c20-8-18(6-13(19(24,25)26)33-17(27)30-18)11-5-10(1-2-12(11)21)29-15-14-9(3-4-28-15)7-32(31-14)16(22)23/h1-5,7,13,16H,6,8H2,(H2,27,30)(H,28,29)/t13-,18+/m0/s1 XTXNGKARNCUBIT-SCLBCKFNSA-N 214819 US9296734, 20 Beta-secretase 1 Homo sapiens 33000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372847 329965696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377729 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C21H17F5N6O4/c22-10-20(6-15(21(24,25)26)36-19(27)32-20)12-5-11(1-2-13(12)23)31-18(33)14-7-30-16(8-29-14)35-9-17-28-3-4-34-17/h1-5,7-8,15H,6,9-10H2,(H2,27,32)(H,31,33)/t15-,20+/m0/s1 NMMJHDIUOMFUHW-MGPUTAFESA-N 214845 US9296734, 46 Beta-secretase 1 Homo sapiens 11 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372802 329965721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377730 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F5N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1 BAVHIXAGHWHFIZ-LIRRHRJNSA-N 214997 US9296734, 190 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373309 329965868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377731 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C(=O)NC1CC1 InChI=1S/C16H16F5N3O2/c17-7-15(6-12(16(19,20)21)26-14(22)24-15)10-5-8(1-4-11(10)18)13(25)23-9-2-3-9/h1,4-5,9,12H,2-3,6-7H2,(H2,22,24)(H,23,25)/t12-,15+/m0/s1 JWRXCQVVSVKPKE-SWLSCSKDSA-N 214989 US9296734, 182 Beta-secretase 1 Homo sapiens 11400 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373219 329965862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377732 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3sc(nc23)C(F)F)ccc1F InChI=1S/C18H13F7N6OS/c19-5-17(4-10(18(23,24)25)32-16(26)31-17)8-3-7(1-2-9(8)20)29-13-11-14(28-6-27-13)33-15(30-11)12(21)22/h1-3,6,10,12H,4-5H2,(H2,26,31)(H,27,28,29)/t10-,17+/m0/s1 QBDINLOBCUJFMN-DYZYQPBXSA-N 214820 US9296734, 21 Beta-secretase 1 Homo sapiens 269 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373222 329965697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377733 COC1CCN(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H24F4N4O3/c1-18(10-15(19(21,22)23)30-16(24)26-18)13-9-11(3-4-14(13)20)25-17(28)27-7-5-12(29-2)6-8-27/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,24,26)(H,25,28)/t15-,18-/m0/s1 VAIOWIBYRXKPBX-YJBOKZPZSA-N 214920 US9296734, 119 Beta-secretase 1 Homo sapiens 55800 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732158 329965795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377734 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)OCC#C)ccc1F InChI=1S/C21H24F4N4O3/c1-3-10-31-14-6-8-29(9-7-14)19(30)27-13-4-5-16(22)15(11-13)20(2)12-17(21(23,24)25)32-18(26)28-20/h1,4-5,11,14,17H,6-10,12H2,2H3,(H2,26,28)(H,27,30)/t17-,20-/m0/s1 BJPMPGYEQJMIBY-PXNSSMCTSA-N 214921 US9296734, 120 Beta-secretase 1 Homo sapiens 13700 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372991 329965796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377735 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCc3ccccc3C2)ccc1F InChI=1S/C22H22F4N4O2/c1-21(11-18(22(24,25)26)32-19(27)29-21)16-10-15(6-7-17(16)23)28-20(31)30-9-8-13-4-2-3-5-14(13)12-30/h2-7,10,18H,8-9,11-12H2,1H3,(H2,27,29)(H,28,31)/t18-,21-/m0/s1 WVRXWZDCCAXIHV-RXVVDRJESA-N 214922 US9296734, 121 Beta-secretase 1 Homo sapiens 7530 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372828 329965797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377736 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)C(F)F)ccc1F InChI=1S/C19H22F6N4O2/c1-18(9-14(19(23,24)25)31-16(26)28-18)12-8-11(2-3-13(12)20)27-17(30)29-6-4-10(5-7-29)15(21)22/h2-3,8,10,14-15H,4-7,9H2,1H3,(H2,26,28)(H,27,30)/t14-,18-/m0/s1 VXTHXAFTWHFRJL-KSSFIOAISA-N 214923 US9296734, 122 Beta-secretase 1 Homo sapiens 2450 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372860 329965798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377737 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC=CC2)ccc1F InChI=1S/C18H20F4N4O2/c1-17(10-14(18(20,21)22)28-15(23)25-17)12-9-11(5-6-13(12)19)24-16(27)26-7-3-2-4-8-26/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H2,23,25)(H,24,27)/t14-,17-/m0/s1 FUSXNZWCAWAAIL-YOEHRIQHSA-N 214924 US9296734, 123 Beta-secretase 1 Homo sapiens 11500 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373375 329965799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377738 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(=CC2)C#CC2CC2)ccc1F InChI=1S/C23H24F4N4O2/c1-22(13-19(23(25,26)27)33-20(28)30-22)17-12-16(6-7-18(17)24)29-21(32)31-10-8-15(9-11-31)5-4-14-2-3-14/h6-8,12,14,19H,2-3,9-11,13H2,1H3,(H2,28,30)(H,29,32)/t19-,22-/m0/s1 BZKSFWQFKKJRJY-UGKGYDQZSA-N 214925 US9296734, 124 Beta-secretase 1 Homo sapiens 1680 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372844 329965800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377739 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C18H16ClF4N5O3/c1-17(6-11(18(21,22)23)31-16(24)28-17)14-10(20)3-4-12(26-14)27-15(29)13-9(19)5-8(30-2)7-25-13/h3-5,7,11H,6H2,1-2H3,(H2,24,28)(H,26,27,29)/t11-,17-/m0/s1 JPBZAFYFPRSQGL-GTNSWQLSSA-N 214879 US9296734, 80 Beta-secretase 1 Homo sapiens 254 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373241 329965754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377740 NC1=NC(C[C@H](O1)C(F)(F)F)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H13ClF6N4O2/c19-8-1-4-12(27-7-8)14(30)28-9-2-3-11(20)10(5-9)17(15(21)22)6-13(18(23,24)25)31-16(26)29-17/h1-5,7,13,15H,6H2,(H2,26,29)(H,28,30)/t13-,17?/m0/s1 KBBIFDWOKVWATN-CWQZNGJJSA-N 214935 US9296734, 134 Beta-secretase 1 Homo sapiens 79 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221529 329965810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377741 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H12ClF7N6O2/c17-6-4-30(13(20)21)29-10(6)12(31)27-9-2-1-7(19)11(26-9)15(5-18)3-8(16(22,23)24)32-14(25)28-15/h1-2,4,8,13H,3,5H2,(H2,25,28)(H,26,27,31)/t8-,15+/m0/s1 KWVDGCQFUZMFKY-VXJOIVPMSA-N 214937 US9296734, 135 Beta-secretase 1 Homo sapiens 52 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322076 329965812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377742 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H13ClF5N5O2/c18-8-1-3-10(25-6-8)14(29)27-12-4-2-9(20)13(26-12)16(7-19)5-11(17(21,22)23)30-15(24)28-16/h1-4,6,11H,5,7H2,(H2,24,28)(H,26,27,29)/t11-,16+/m0/s1 KABMVXFBTNXXDR-MEDUHNTESA-N 214938 US9296734, 136 Beta-secretase 1 Homo sapiens 169 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373218 329965813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377743 COc1cnc(cn1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C17H16F4N6O3/c1-16(4-11(17(19,20)21)30-15(22)27-16)9-3-8(5-25-13(9)18)26-14(28)10-6-24-12(29-2)7-23-10/h3,5-7,11H,4H2,1-2H3,(H2,22,27)(H,26,28)/t11-,16-/m0/s1 JTQMFDWBJLBTFV-ZBEGNZNMSA-N 214869 US9296734, 70 Beta-secretase 1 Homo sapiens 102 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372971 329965744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377744 COc1ccc(nc1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17F4N5O3/c1-17(6-13(18(20,21)22)30-16(23)27-17)11-5-9(7-25-14(11)19)26-15(28)12-4-3-10(29-2)8-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,27)(H,26,28)/t13-,17-/m0/s1 FLWXUGDYFSVDDG-GUYCJALGSA-N 214862 US9296734, 63 Beta-secretase 1 Homo sapiens 119 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373127 329965737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377745 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)cnc1F InChI=1S/C17H14F5N5O2/c1-16(5-12(17(20,21)22)29-15(23)27-16)10-4-9(7-25-13(10)19)26-14(28)11-3-2-8(18)6-24-11/h2-4,6-7,12H,5H2,1H3,(H2,23,27)(H,26,28)/t12-,16-/m0/s1 AOLJGWNKLPFUQF-LRDDRELGSA-N 214863 US9296734, 64 Beta-secretase 1 Homo sapiens 206 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372851 329965738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377746 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cnc1F InChI=1S/C19H16F7N5O3/c1-17(5-13(19(24,25)26)34-16(27)31-17)11-4-9(6-29-14(11)20)30-15(32)12-3-2-10(7-28-12)33-8-18(21,22)23/h2-4,6-7,13H,5,8H2,1H3,(H2,27,31)(H,30,32)/t13-,17-/m0/s1 LXQNZSAYQWYOSE-GUYCJALGSA-N 214864 US9296734, 65 Beta-secretase 1 Homo sapiens 79 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373216 329965739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377747 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H17F5N4O3/c1-3-6-32-12-4-5-15(28-10-12)18(31)29-11-7-13(17(23)14(22)8-11)20(2)9-16(21(24,25)26)33-19(27)30-20/h1,4-5,7-8,10,16H,6,9H2,2H3,(H2,27,30)(H,29,31)/t16-,20-/m0/s1 IVLBKNZKOKOKBT-JXFKEZNVSA-N 214999 US9296734, 192 Beta-secretase 1 Homo sapiens 60 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372809 329965870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377748 CC(C)n1cc(Cl)c(n1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H19ClF4N6O2/c1-8(2)29-7-11(19)13(28-29)15(30)26-9-4-10(14(20)25-6-9)17(3)5-12(18(21,22)23)31-16(24)27-17/h4,6-8,12H,5H2,1-3H3,(H2,24,27)(H,26,30)/t12-,17-/m0/s1 SNRWOCPTNOGWCY-SJCJKPOMSA-N 214870 US9296734, 71 Beta-secretase 1 Homo sapiens 38900 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373233 329965745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377749 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cnc1F InChI=1S/C16H13ClF6N6O2/c1-15(3-9(16(21,22)23)31-14(24)27-15)7-2-6(4-25-11(7)18)26-12(30)10-8(17)5-29(28-10)13(19)20/h2,4-5,9,13H,3H2,1H3,(H2,24,27)(H,26,30)/t9-,15-/m0/s1 VJJOURSDKWNMOD-VFZGTOFNSA-N 214871 US9296734, 72 Beta-secretase 1 Homo sapiens 24 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322384 329965746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377750 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H13F6N5O2/c1-27-9-2-3-13(28-7-9)16(31)29-10-4-11(15(22)12(21)5-10)18(8-20)6-14(19(23,24)25)32-17(26)30-18/h2-5,7,14H,6,8H2,(H2,26,30)(H,29,31)/t14-,18+/m0/s1 WWEZNTGCKLTDTB-KBXCAEBGSA-N 214957 US9296734, 151 Beta-secretase 1 Homo sapiens 33 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221532 329965832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377751 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H13ClF6N4O2/c19-8-1-2-12(27-6-8)15(30)28-9-3-10(14(22)11(21)4-9)17(7-20)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 LKJAOKBSWHVMOZ-SUMWQHHRSA-N 214958 US9296734, 152 Beta-secretase 1 Homo sapiens 26 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372917 329965833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377752 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H15F6N5O3/c1-31-13-6-26-11(5-27-13)15(30)28-8-2-9(14(21)10(20)3-8)17(7-19)4-12(18(22,23)24)32-16(25)29-17/h2-3,5-6,12H,4,7H2,1H3,(H2,25,29)(H,28,30)/t12-,17+/m0/s1 DUUQRTIHQFRRGG-YVEFUNNKSA-N 214959 US9296734, 153 Beta-secretase 1 Homo sapiens 50 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372957 329965834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377753 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H13F6N5O2/c1-27-9-2-3-13(28-7-9)16(31)29-10-4-11(15(22)12(21)5-10)18(8-20)6-14(19(23,24)25)32-17(26)30-18/h2-5,7,14H,6,8H2,(H2,26,30)(H,29,31)/t14-,18+/m0/s1 WWEZNTGCKLTDTB-KBXCAEBGSA-N 214957 US9296734, 151 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221532 329965832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377754 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H15F6N5O3/c1-2-3-33-15-8-28-13(7-29-15)17(32)30-10-4-11(16(23)12(22)5-10)19(9-21)6-14(20(24,25)26)34-18(27)31-19/h1,4-5,7-8,14H,3,6,9H2,(H2,27,31)(H,30,32)/t14-,19+/m0/s1 RBGBTWHAFLDYKK-IFXJQAMLSA-N 214960 US9296734, 154 Beta-secretase 1 Homo sapiens 1.4 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322386 329965835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377755 CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17F6N5O3/c1-2-3-4-34-16-9-29-14(8-30-16)18(33)31-11-5-12(17(24)13(23)6-11)20(10-22)7-15(21(25,26)27)35-19(28)32-20/h5-6,8-9,15H,4,7,10H2,1H3,(H2,28,32)(H,31,33)/t15-,20+/m0/s1 ABNNLCLVBNJIHE-MGPUTAFESA-N 214961 US9296734, 155 Beta-secretase 1 Homo sapiens 0.87 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322385 329965836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377756 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16F6N4O3/c1-31-10-2-3-13(27-7-10)16(30)28-9-4-11(15(22)12(21)5-9)18(8-20)6-14(19(23,24)25)32-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 LTIFJZVOBPLXLY-KBXCAEBGSA-N 214962 US9296734, 156 Beta-secretase 1 Homo sapiens 62 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372905 329965837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377757 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H13BrF6N4O2/c19-8-1-2-12(27-6-8)15(30)28-9-3-10(14(22)11(21)4-9)17(7-20)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 GTOZMJXAAXGVCP-SUMWQHHRSA-N 214963 US9296734, 157 Beta-secretase 1 Homo sapiens 19 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732231 329965838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377758 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H16F6N4O3/c1-2-5-33-12-3-4-15(29-9-12)18(32)30-11-6-13(17(24)14(23)7-11)20(10-22)8-16(21(25,26)27)34-19(28)31-20/h1,3-4,6-7,9,16H,5,8,10H2,(H2,28,31)(H,30,32)/t16-,20+/m0/s1 GYJSKKAYNGWACC-OXJNMPFZSA-N 214965 US9296734, 159 Beta-secretase 1 Homo sapiens 13 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322387 329965840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377759 CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H18F6N4O3/c1-2-3-6-34-13-4-5-16(30-10-13)19(33)31-12-7-14(18(25)15(24)8-12)21(11-23)9-17(22(26,27)28)35-20(29)32-21/h4-5,7-8,10,17H,6,9,11H2,1H3,(H2,29,32)(H,31,33)/t17-,21+/m0/s1 BWAGQZRQEBCFMS-LAUBAEHRSA-N 214966 US9296734, 160 Beta-secretase 1 Homo sapiens 3.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322704 329965841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377760 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H14ClF6N5O/c21-10-3-9-1-2-29-17(16(9)30-7-10)31-11-4-12(15(24)13(23)5-11)19(8-22)6-14(20(25,26)27)33-18(28)32-19/h1-5,7,14H,6,8H2,(H2,28,32)(H,29,31)/t14-,19+/m0/s1 TVJLCQMCGCIIEQ-IFXJQAMLSA-N 214967 US9296734, 161 Beta-secretase 1 Homo sapiens 23 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372805 329965842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377761 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H14F6N6O/c22-9-20(6-15(21(25,26)27)34-19(29)33-20)13-4-12(5-14(23)16(13)24)32-18-17-11(1-2-30-18)3-10(7-28)8-31-17/h1-5,8,15H,6,9H2,(H2,29,33)(H,30,32)/t15-,20+/m0/s1 RFMIJNWLSHTMCQ-MGPUTAFESA-N 214968 US9296734, 162 Beta-secretase 1 Homo sapiens 37 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372948 329965843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377762 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)cc(F)c1F InChI=1S/C23H18F6N4O2/c24-11-22(9-18(23(27,28)29)35-21(30)33-22)15-7-14(8-16(25)19(15)26)32-20(34)17-6-5-13(10-31-17)4-3-12-1-2-12/h5-8,10,12,18H,1-2,9,11H2,(H2,30,33)(H,32,34)/t18-,22+/m0/s1 LMQKUKVSRBPYRO-PGRDOPGGSA-N 214964 US9296734, 158 Beta-secretase 1 Homo sapiens 21 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732230 329965839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377763 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H14F5N5O2/c1-18(7-14(19(22,23)24)31-17(25)29-18)11-5-10(6-12(20)15(11)21)28-16(30)13-4-3-9(26-2)8-27-13/h3-6,8,14H,7H2,1H3,(H2,25,29)(H,28,30)/t14-,18-/m0/s1 VWEJPIJCLODAAQ-KSSFIOAISA-N 214970 US9296734, 163 Beta-secretase 1 Homo sapiens 20 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221533 329965844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377764 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF5N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 BISIHUNURPYIFU-GUYCJALGSA-N 214971 US9296734, 164 Beta-secretase 1 Homo sapiens 24 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322705 329965845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377765 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(19)14(9)20)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 NBFXBDBSLJNUCE-SJCJKPOMSA-N 214972 US9296734, 165 Beta-secretase 1 Homo sapiens 78 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322706 329965846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377766 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O2/c1-9-3-10(7-26)8-28-16(9)17(31)29-11-4-12(15(22)13(21)5-11)19(2)6-14(20(23,24)25)32-18(27)30-19/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 SPAJVRVAEDJRFN-LIRRHRJNSA-N 214973 US9296734, 166 Beta-secretase 1 Homo sapiens 14 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322707 329965847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377767 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(F)c1F InChI=1S/C19H13ClF5N5O2/c1-18(5-13(19(23,24)25)32-17(27)30-18)10-3-9(4-12(21)14(10)22)29-16(31)15-11(20)2-8(6-26)7-28-15/h2-4,7,13H,5H2,1H3,(H2,27,30)(H,29,31)/t13-,18-/m0/s1 QEPXCKWQQACKKF-UGSOOPFHSA-N 214974 US9296734, 167 Beta-secretase 1 Homo sapiens 30 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322708 329965848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377768 COc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O3/c1-19(6-14(20(23,24)25)33-18(27)30-19)11-4-10(5-12(21)15(11)22)29-17(31)16-13(32-2)3-9(7-26)8-28-16/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 VKYSOWBJISLWOU-LIRRHRJNSA-N 214975 US9296734, 168 Beta-secretase 1 Homo sapiens 51 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373088 329965849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377769 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C19H16ClF5N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-3-8(4-12(21)14(10)22)28-16(30)15-11(20)5-9(31-2)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 GVIRBWPBQTWQBG-UGSOOPFHSA-N 214976 US9296734, 169 Beta-secretase 1 Homo sapiens 37 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322709 329965850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377770 Cc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O2/c1-8-3-9(20)7-27-15(8)16(30)28-10-4-11(14(22)12(21)5-10)18(2)6-13(19(23,24)25)31-17(26)29-18/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 UQWCZZUGRPGCBV-UGSOOPFHSA-N 214977 US9296734, 170 Beta-secretase 1 Homo sapiens 9.5 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372965 329965851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377771 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C(F)F InChI=1S/C20H17F7N4O2/c1-8-3-9(16(23)24)7-29-15(8)17(32)30-10-4-11(14(22)12(21)5-10)19(2)6-13(20(25,26)27)33-18(28)31-19/h3-5,7,13,16H,6H2,1-2H3,(H2,28,31)(H,30,32)/t13-,19-/m0/s1 RZNASLIUEOWJBI-DJJJIMSYSA-N 214978 US9296734, 171 Beta-secretase 1 Homo sapiens 43 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78323012 329965852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377772 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)cc(F)c1F InChI=1S/C18H13Cl2F5N4O2/c1-17(5-12(18(23,24)25)31-16(26)29-17)9-3-8(4-11(21)13(9)22)28-15(30)14-10(20)2-7(19)6-27-14/h2-4,6,12H,5H2,1H3,(H2,26,29)(H,28,30)/t12-,17-/m0/s1 VKZHKVACVAYUIC-SJCJKPOMSA-N 214979 US9296734, 172 Beta-secretase 1 Homo sapiens 19 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373010 329965853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377773 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H14F5N5O2/c1-18(7-14(19(22,23)24)31-17(25)29-18)11-5-10(6-12(20)15(11)21)28-16(30)13-4-3-9(26-2)8-27-13/h3-6,8,14H,7H2,1H3,(H2,25,29)(H,28,30)/t14-,18-/m0/s1 VWEJPIJCLODAAQ-KSSFIOAISA-N 214970 US9296734, 163 Beta-secretase 1 Homo sapiens 49700 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221533 329965844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377774 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H15ClF5N5O/c1-19(7-14(20(24,25)26)32-18(27)31-19)12-5-11(6-13(22)15(12)23)30-17-16-9(2-3-28-17)4-10(21)8-29-16/h2-6,8,14H,7H2,1H3,(H2,27,31)(H,28,30)/t14-,19-/m0/s1 DKBRLMWJUPMGKF-LIRRHRJNSA-N 214983 US9296734, 176 Beta-secretase 1 Homo sapiens 21 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732245 329965857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377775 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H15F5N6O/c1-20(7-15(21(24,25)26)33-19(28)32-20)13-5-12(6-14(22)16(13)23)31-18-17-11(2-3-29-18)4-10(8-27)9-30-17/h2-6,9,15H,7H2,1H3,(H2,28,32)(H,29,31)/t15-,20-/m0/s1 SWFXRUVBVUKMPN-YWZLYKJASA-N 214987 US9296734, 180 Beta-secretase 1 Homo sapiens 14 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372912 329965861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377776 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H14F6N6O/c1-20(5-15(21(25,26)27)34-19(29)33-20)12-3-10(4-13(22)16(12)24)32-18-17-11(14(23)8-31-18)2-9(6-28)7-30-17/h2-4,7-8,15H,5H2,1H3,(H2,29,33)(H,31,32)/t15-,20-/m0/s1 URUUZKVGBQRBGH-YWZLYKJASA-N 214984 US9296734, 177 Beta-secretase 1 Homo sapiens 30 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732246 329965858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377777 COc1cnc2c(Nc3cc(F)c(F)c(c3)[C@]3(C)C[C@H](OC(N)=N3)C(F)(F)F)nccc2n1 InChI=1S/C20H17F5N6O2/c1-19(7-13(20(23,24)25)33-18(26)31-19)10-5-9(6-11(21)15(10)22)29-17-16-12(3-4-27-17)30-14(32-2)8-28-16/h3-6,8,13H,7H2,1-2H3,(H2,26,31)(H,27,29)/t13-,19-/m0/s1 BAGSELRCANBMKO-DJJJIMSYSA-N 214985 US9296734, 178 Beta-secretase 1 Homo sapiens 62 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732247 329965859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377778 COc1cnc2c(Nc3cc(F)c(F)c(c3)[C@]3(C)C[C@H](OC(N)=N3)C(F)(F)F)nccc2c1 InChI=1S/C21H18F5N5O2/c1-20(8-15(21(24,25)26)33-19(27)31-20)13-6-11(7-14(22)16(13)23)30-18-17-10(3-4-28-18)5-12(32-2)9-29-17/h3-7,9,15H,8H2,1-2H3,(H2,27,31)(H,28,30)/t15-,20-/m0/s1 DUDZXWAXAOTJSE-YWZLYKJASA-N 214986 US9296734, 179 Beta-secretase 1 Homo sapiens 178 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90382575 329965860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377779 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H18F5N5O3/c1-8-15(26-7-13(27-8)31-3)16(30)28-9-4-10(14(21)11(20)5-9)18(2)6-12(19(22,23)24)32-17(25)29-18/h4-5,7,12H,6H2,1-3H3,(H2,25,29)(H,28,30)/t12-,18-/m0/s1 JZWAAFAQFIIWCU-SGTLLEGYSA-N 214980 US9296734, 173 Beta-secretase 1 Homo sapiens 118 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373110 329965854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377780 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F7N4O3/c1-8-3-10(33-17(23)24)7-29-15(8)16(32)30-9-4-11(14(22)12(21)5-9)19(2)6-13(20(25,26)27)34-18(28)31-19/h3-5,7,13,17H,6H2,1-2H3,(H2,28,31)(H,30,32)/t13-,19-/m0/s1 XMPNDCVYVQQNTC-DJJJIMSYSA-N 214981 US9296734, 174 Beta-secretase 1 Homo sapiens 29 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372894 329965855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377781 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H14BrF5N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 LYGNDZWTGVVFRF-GUYCJALGSA-N 214982 US9296734, 175 Beta-secretase 1 Homo sapiens 22 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372854 329965856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377782 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF5N4OS/c19-9-1-4-13(26-7-9)15(30)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)29-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,30)/t14-,17+/m0/s1 BRPDMTKDYSZVAZ-WMLDXEAASA-N 214890 US9296734, 91 Beta-secretase 1 Homo sapiens 86 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373107 329965765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377783 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C19H16F4N6O3/c1-3-4-31-14-9-25-12(8-26-14)16(30)28-10-5-11(15(20)27-7-10)18(2)6-13(19(21,22)23)32-17(24)29-18/h1,5,7-9,13H,4,6H2,2H3,(H2,24,29)(H,28,30)/t13-,18-/m0/s1 FZAKIPOCIJPZTE-UGSOOPFHSA-N 214872 US9296734, 73 Beta-secretase 1 Homo sapiens 4.7 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373033 329965747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377784 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H17F4N5O3/c1-3-6-31-16-10-26-14(9-27-16)17(30)28-11-4-5-13(21)12(7-11)19(2)8-15(20(22,23)24)32-18(25)29-19/h1,4-5,7,9-10,15H,6,8H2,2H3,(H2,25,29)(H,28,30)/t15-,19-/m0/s1 GXNMNFHBLIOQPC-KXBFYZLASA-N 214844 US9296734, 45 Beta-secretase 1 Homo sapiens 2.3 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732127 329965720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377785 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C20H13F5N4O/c21-11-19(8-17(20(23,24)25)30-18(27)29-19)15-7-12(3-6-16(15)22)1-4-14-5-2-13(9-26)10-28-14/h2-3,5-7,10,17H,8,11H2,(H2,27,29)/t17-,19+/m0/s1 KXGLPHKAHQSZAZ-PKOBYXMFSA-N 214926 US9296734, 125 Beta-secretase 1 Homo sapiens 509 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86279155 329965801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377786 CNC(=O)c1ccc(nc1)C#Cc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17F5N4O2/c1-28-18(31)13-4-6-14(29-10-13)5-2-12-3-7-16(23)15(8-12)20(11-22)9-17(21(24,25)26)32-19(27)30-20/h3-4,6-8,10,17H,9,11H2,1H3,(H2,27,30)(H,28,31)/t17-,20+/m0/s1 PYBDYTDDQZGBLA-FXAWDEMLSA-N 214927 US9296734, 126 Beta-secretase 1 Homo sapiens 26600 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372865 329965802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377787 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(OC(F)F)cn1 InChI=1S/C20H14F7N3O2/c21-10-19(8-16(20(25,26)27)32-18(28)30-19)14-7-11(2-6-15(14)22)1-3-12-4-5-13(9-29-12)31-17(23)24/h2,4-7,9,16-17H,8,10H2,(H2,28,30)/t16-,19+/m0/s1 SXSDFPIELXYPDS-QFBILLFUSA-N 214928 US9296734, 127 Beta-secretase 1 Homo sapiens 2960 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372770 329965803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377788 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(OC2CCC2)cn1 InChI=1S/C23H20F5N3O2/c24-13-22(11-20(23(26,27)28)33-21(29)31-22)18-10-14(5-9-19(18)25)4-6-15-7-8-17(12-30-15)32-16-2-1-3-16/h5,7-10,12,16,20H,1-3,11,13H2,(H2,29,31)/t20-,22+/m0/s1 DIQWQJDTQHYMGZ-RBBKRZOGSA-N 214929 US9296734, 128 Beta-secretase 1 Homo sapiens 20500 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372887 329965804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377789 CNC(=O)c1ccnc(c1)C#Cc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17F5N4O2/c1-28-18(31)13-6-7-29-14(9-13)4-2-12-3-5-16(23)15(8-12)20(11-22)10-17(21(24,25)26)32-19(27)30-20/h3,5-9,17H,10-11H2,1H3,(H2,27,30)(H,28,31)/t17-,20+/m0/s1 GKXQYJGONFQFOV-FXAWDEMLSA-N 214930 US9296734, 129 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373014 329965805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377790 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1cccc2[nH]ccc12 214931 US9296734, 130 Beta-secretase 1 Homo sapiens 5620 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373003 329965806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377791 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc2[nH]ccc2c1 214932 US9296734, 131 Beta-secretase 1 Homo sapiens 577 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372918 329965807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377792 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc2cc[nH]c2c1 214933 US9296734, 132 Beta-secretase 1 Homo sapiens 2200 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373126 329965808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377793 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1cccc2cc[nH]c12 214934 US9296734, 133 Beta-secretase 1 Homo sapiens 5600 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373342 329965809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377794 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(cc(Cl)n2)-c2ccccc2)ccc1F InChI=1S/C23H17ClF5N3O2/c24-19-8-14(13-4-2-1-3-5-13)9-20(31-19)33-15-6-7-17(26)16(10-15)22(12-25)11-18(23(27,28)29)34-21(30)32-22/h1-10,18H,11-12H2,(H2,30,32)/t18-,22+/m0/s1 FQMMQDRJEHNIAE-PGRDOPGGSA-N 215043 US9296734, 235 Beta-secretase 1 Homo sapiens >40000 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732267 329965912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377795 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2F)C#N)cc(F)c1F InChI=1S/C19H12F7N5O2/c20-7-18(4-13(19(24,25)26)33-17(28)31-18)10-2-9(3-11(21)14(10)23)30-16(32)15-12(22)1-8(5-27)6-29-15/h1-3,6,13H,4,7H2,(H2,28,31)(H,30,32)/t13-,18+/m0/s1 BDYXTRMCPMSAOK-SCLBCKFNSA-N 215042 US9296734, 234 Beta-secretase 1 Homo sapiens 38 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372807 329965911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377796 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F InChI=1S/C18H12ClF7N4O2/c19-7-1-11(22)14(28-5-7)15(31)29-8-2-9(13(23)10(21)3-8)17(6-20)4-12(18(24,25)26)32-16(27)30-17/h1-3,5,12H,4,6H2,(H2,27,30)(H,29,31)/t12-,17+/m0/s1 HLDJICBVNWASST-YVEFUNNKSA-N 215041 US9296734, 233 Beta-secretase 1 Homo sapiens 29 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372911 329965910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377797 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H15F6N5O2/c1-9-2-10(6-27)7-29-16(9)17(32)30-11-3-12(15(23)13(22)4-11)19(8-21)5-14(20(24,25)26)33-18(28)31-19/h2-4,7,14H,5,8H2,1H3,(H2,28,31)(H,30,32)/t14-,19+/m0/s1 WWNBOKULGBAUQN-IFXJQAMLSA-N 215040 US9296734, 232 Beta-secretase 1 Homo sapiens 16 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373270 329965909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377798 COc1cccnc1Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17F5N4O2/c1-17(8-13(18(21,22)23)29-16(24)27-17)10-6-9(7-11(19)14(10)20)26-15-12(28-2)4-3-5-25-15/h3-7,13H,8H2,1-2H3,(H2,24,27)(H,25,26)/t13-,17-/m0/s1 SXKABSWAMBWBIC-GUYCJALGSA-N 215039 US9296734, 231 Beta-secretase 1 Homo sapiens 177 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732266 329965908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377799 Cc1cc(NC(=O)c2ncc(cc2C)C(F)F)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H19F7N4O2/c1-9-4-12(31-18(33)16-10(2)3-11(7-30-16)17(24)25)5-13(15(9)23)20(8-22)6-14(21(26,27)28)34-19(29)32-20/h3-5,7,14,17H,6,8H2,1-2H3,(H2,29,32)(H,31,33)/t14-,20+/m0/s1 FEXATESTSZOOOK-VBKZILBWSA-N 215024 US9296734, 216 Beta-secretase 1 Homo sapiens 94 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732264 329965893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377800 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C20H20F5N5O3/c1-9-4-11(29-17(31)16-10(2)28-14(32-3)7-27-16)5-12(15(9)22)19(8-21)6-13(20(23,24)25)33-18(26)30-19/h4-5,7,13H,6,8H2,1-3H3,(H2,26,30)(H,29,31)/t13-,19+/m0/s1 RCIZZFCSNZBZDS-ORAYPTAESA-N 215025 US9296734, 217 Beta-secretase 1 Homo sapiens 81 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373037 329965894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377801 Cc1cc(NC(=O)c2cnc(OCC#C)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O3/c1-3-4-33-16-9-28-14(8-29-16)18(32)30-12-5-11(2)17(23)13(6-12)20(10-22)7-15(21(24,25)26)34-19(27)31-20/h1,5-6,8-9,15H,4,7,10H2,2H3,(H2,27,31)(H,30,32)/t15-,20+/m0/s1 CZQQVDFRGLIQQV-MGPUTAFESA-N 215026 US9296734, 218 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372825 329965895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377802 Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O2/c1-10-4-13(30-18(32)17-11(2)3-12(7-27)8-29-17)5-14(16(10)23)20(9-22)6-15(21(24,25)26)33-19(28)31-20/h3-5,8,15H,6,9H2,1-2H3,(H2,28,31)(H,30,32)/t15-,20+/m0/s1 IHCNTVZLTALTSC-MGPUTAFESA-N 215027 US9296734, 219 Beta-secretase 1 Homo sapiens 20 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373412 329965896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377803 Cc1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2C)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H20F8N4O3/c1-10-3-12(33-18(35)17-11(2)4-13(7-32-17)36-9-21(25,26)27)5-14(16(10)24)20(8-23)6-15(22(28,29)30)37-19(31)34-20/h3-5,7,15H,6,8-9H2,1-2H3,(H2,31,34)(H,33,35)/t15-,20+/m0/s1 MOOUDUIAIKIHRY-MGPUTAFESA-N 215028 US9296734, 220 Beta-secretase 1 Homo sapiens 66 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372973 329965897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377804 Cc1cc(NC(=O)c2ccc(cn2)C(F)F)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F7N4O2/c1-9-4-11(30-17(32)13-3-2-10(7-29-13)16(23)24)5-12(15(9)22)19(8-21)6-14(20(25,26)27)33-18(28)31-19/h2-5,7,14,16H,6,8H2,1H3,(H2,28,31)(H,30,32)/t14-,19+/m0/s1 UROOROFDAZOMMK-IFXJQAMLSA-N 215029 US9296734, 221 Beta-secretase 1 Homo sapiens 73 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372979 329965898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377805 COc1cc(Cl)cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H18ClF5N4O3/c1-9-3-11(29-17(31)16-13(32-2)4-10(21)7-28-16)5-12(15(9)23)19(8-22)6-14(20(24,25)26)33-18(27)30-19/h3-5,7,14H,6,8H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19+/m0/s1 JXOVRQCLHXZZQU-IFXJQAMLSA-N 215030 US9296734, 222 Beta-secretase 1 Homo sapiens 91 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372989 329965899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377806 Cc1cc(NC(=O)c2ccc(F)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16F6N4O2/c1-9-4-11(28-16(30)13-3-2-10(21)7-27-13)5-12(15(9)22)18(8-20)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 XACDJBVGVFXITK-KBXCAEBGSA-N 215031 US9296734, 223 Beta-secretase 1 Homo sapiens 57 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372913 329965900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377807 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F5N4O3/c1-18(7-14(19(22,23)24)31-17(25)28-18)11-5-9(6-12(20)15(11)21)27-16(29)13-4-3-10(30-2)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,25,28)(H,27,29)/t14-,18-/m0/s1 CYIXTWNWTMZLDA-KSSFIOAISA-N 215008 US9296734, 201 Beta-secretase 1 Homo sapiens 45 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373358 329965879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377808 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O2/c1-9-4-11(28-16(30)13-3-2-10(20)7-27-13)5-12(15(9)22)18(8-21)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 GYMHODDGJSNQFR-KBXCAEBGSA-N 215032 US9296734, 224 Beta-secretase 1 Homo sapiens 13 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373023 329965901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377809 Cc1cc(NC(=O)c2ccc(cn2)C#N)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16F5N5O2/c1-10-4-12(29-17(31)14-3-2-11(7-26)8-28-14)5-13(16(10)22)19(9-21)6-15(20(23,24)25)32-18(27)30-19/h2-5,8,15H,6,9H2,1H3,(H2,27,30)(H,29,31)/t15-,19+/m0/s1 KPBLVVYSAUHPAJ-HNAYVOBHSA-N 215033 US9296734, 225 Beta-secretase 1 Homo sapiens 57 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373287 329965902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377810 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C21H21F5N4O3/c1-10-4-12(29-18(31)17-11(2)5-13(32-3)8-28-17)6-14(16(10)23)20(9-22)7-15(21(24,25)26)33-19(27)30-20/h4-6,8,15H,7,9H2,1-3H3,(H2,27,30)(H,29,31)/t15-,20+/m0/s1 PNFLNXGLLPYZMA-MGPUTAFESA-N 215034 US9296734, 226 Beta-secretase 1 Homo sapiens 48 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373497 329965903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377811 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C20H19F5N4O3/c1-9-4-11(31-3)8-27-16(9)17(30)28-10-5-12(15(22)13(21)6-10)19(2)7-14(20(23,24)25)32-18(26)29-19/h4-6,8,14H,7H2,1-3H3,(H2,26,29)(H,28,30)/t14-,19-/m0/s1 UZGPYPZLRRIGMS-LIRRHRJNSA-N 215009 US9296734, 202 Beta-secretase 1 Homo sapiens 61 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372954 329965880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377812 COc1cnc(cn1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H18F5N5O3/c1-9-3-10(28-16(30)12-6-27-14(31-2)7-26-12)4-11(15(9)21)18(8-20)5-13(19(22,23)24)32-17(25)29-18/h3-4,6-7,13H,5,8H2,1-2H3,(H2,25,29)(H,28,30)/t13-,18+/m0/s1 LYSVSZDZWGUCLE-SCLBCKFNSA-N 215035 US9296734, 227 Beta-secretase 1 Homo sapiens 30 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372867 329965904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377813 Cc1cc(NC(=O)c2ncc(OC(F)F)cc2C)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H19F7N4O3/c1-9-3-11(31-17(33)16-10(2)4-12(7-30-16)34-18(24)25)5-13(15(9)23)20(8-22)6-14(21(26,27)28)35-19(29)32-20/h3-5,7,14,18H,6,8H2,1-2H3,(H2,29,32)(H,31,33)/t14-,20+/m0/s1 DOJKVGOVJKQTDR-VBKZILBWSA-N 215036 US9296734, 228 Beta-secretase 1 Homo sapiens 32 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373136 329965905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377814 COc1ccc(nc1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H19F5N4O3/c1-10-5-11(28-17(30)14-4-3-12(31-2)8-27-14)6-13(16(10)22)19(9-21)7-15(20(23,24)25)32-18(26)29-19/h3-6,8,15H,7,9H2,1-2H3,(H2,26,29)(H,28,30)/t15-,19+/m0/s1 WMSIVQROFPBHJD-HNAYVOBHSA-N 215037 US9296734, 229 Beta-secretase 1 Homo sapiens 44 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373367 329965906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377815 Cc1cc(Nc2ncnc3cc(Cl)cnc23)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16ClF5N6O/c1-9-2-11(31-17-16-13(29-8-30-17)3-10(21)6-28-16)4-12(15(9)23)19(7-22)5-14(20(24,25)26)33-18(27)32-19/h2-4,6,8,14H,5,7H2,1H3,(H2,27,32)(H,29,30,31)/t14-,19+/m0/s1 SJFOTMZTIGRPJX-IFXJQAMLSA-N 215038 US9296734, 230 Beta-secretase 1 Homo sapiens 49 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732265 329965907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377816 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F InChI=1S/C18H13ClF6N4O2/c1-17(5-12(18(23,24)25)31-16(26)29-17)9-3-8(4-10(20)13(9)22)28-15(30)14-11(21)2-7(19)6-27-14/h2-4,6,12H,5H2,1H3,(H2,26,29)(H,28,30)/t12-,17-/m0/s1 HJJKIPLMIWXFHS-SJCJKPOMSA-N 215012 US9296734, 205 Beta-secretase 1 Homo sapiens 39 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373416 329965882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377817 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F InChI=1S/C21H17F5N6O4/c1-20(6-14(21(24,25)26)36-19(27)32-20)11-4-10(5-12(22)17(11)23)31-18(33)13-7-30-15(8-29-13)35-9-16-28-2-3-34-16/h2-5,7-8,14H,6,9H2,1H3,(H2,27,32)(H,31,33)/t14-,20-/m0/s1 OXVSBNLXZOHRER-XOBRGWDASA-N 215011 US9296734, 204 Beta-secretase 1 Homo sapiens 6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373325 329965881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377818 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(Cl)c1F InChI=1S/C19H14ClF4N5O2/c1-18(6-14(19(22,23)24)31-17(26)29-18)11-4-10(5-12(20)15(11)21)28-16(30)13-3-2-9(7-25)8-27-13/h2-5,8,14H,6H2,1H3,(H2,26,29)(H,28,30)/t14-,18-/m0/s1 BGMZPQBWEKJUKD-KSSFIOAISA-N 215014 US9296734, 206 Beta-secretase 1 Homo sapiens 23 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732252 329965883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377819 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F InChI=1S/C19H13ClF8N4O2/c1-17(5-12(19(26,27)28)34-16(29)32-17)9-3-8(4-11(21)13(9)22)31-15(33)14-10(20)2-7(6-30-14)18(23,24)25/h2-4,6,12H,5H2,1H3,(H2,29,32)(H,31,33)/t12-,17-/m0/s1 SPOPJOZGEOZUEX-SJCJKPOMSA-N 214994 US9296734, 187 Beta-secretase 1 Homo sapiens 75 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372975 329965865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377820 CC#CCOc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C23H21F5N4O3/c1-4-5-6-34-14-7-12(2)19(30-11-14)20(33)31-13-8-15(18(25)16(24)9-13)22(3)10-17(23(26,27)28)35-21(29)32-22/h7-9,11,17H,6,10H2,1-3H3,(H2,29,32)(H,31,33)/t17-,22-/m0/s1 WIIGVRWZTXZZEY-JTSKRJEESA-N 214995 US9296734, 188 Beta-secretase 1 Homo sapiens 6 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373248 329965866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377821 CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H19F5N4O3/c1-3-4-7-33-13-5-6-16(29-11-13)19(32)30-12-8-14(18(24)15(23)9-12)21(2)10-17(22(25,26)27)34-20(28)31-21/h5-6,8-9,11,17H,7,10H2,1-2H3,(H2,28,31)(H,30,32)/t17-,21-/m0/s1 PSPJRBGCZKBSQX-UWJYYQICSA-N 214996 US9296734, 189 Beta-secretase 1 Homo sapiens 3 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372756 329965867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377822 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F5N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1 BAVHIXAGHWHFIZ-LIRRHRJNSA-N 214997 US9296734, 190 Beta-secretase 1 Homo sapiens 2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373309 329965868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377823 Cc1cc(OCC2CC2)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C23H23F5N4O3/c1-11-5-14(34-10-12-3-4-12)9-30-19(11)20(33)31-13-6-15(18(25)16(24)7-13)22(2)8-17(23(26,27)28)35-21(29)32-22/h5-7,9,12,17H,3-4,8,10H2,1-2H3,(H2,29,32)(H,31,33)/t17-,22-/m0/s1 ZFVIXMFRDAHNJY-JTSKRJEESA-N 214998 US9296734, 191 Beta-secretase 1 Homo sapiens 97 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372920 329965869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377824 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H17F5N4O3/c1-3-6-32-12-4-5-15(28-10-12)18(31)29-11-7-13(17(23)14(22)8-11)20(2)9-16(21(24,25)26)33-19(27)30-20/h1,4-5,7-8,10,16H,6,9H2,2H3,(H2,27,30)(H,29,31)/t16-,20-/m0/s1 IVLBKNZKOKOKBT-JXFKEZNVSA-N 214999 US9296734, 192 Beta-secretase 1 Homo sapiens 10 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372809 329965870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377825 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F InChI=1S/C18H14F7N5O2/c1-17(4-12(18(23,24)25)32-16(26)30-17)8-2-7(3-9(19)13(8)20)29-15(31)11-6-27-10(5-28-11)14(21)22/h2-3,5-6,12,14H,4H2,1H3,(H2,26,30)(H,29,31)/t12-,17-/m0/s1 VTVGTRYCYBHBOJ-SJCJKPOMSA-N 215000 US9296734, 193 Beta-secretase 1 Homo sapiens 75 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373194 329965871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377826 Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F8N4O3/c1-9-3-11(35-8-20(24,25)26)7-31-16(9)17(34)32-10-4-12(15(23)13(22)5-10)19(2)6-14(21(27,28)29)36-18(30)33-19/h3-5,7,14H,6,8H2,1-2H3,(H2,30,33)(H,32,34)/t14-,19-/m0/s1 PMKFKGOFOICSCX-LIRRHRJNSA-N 215001 US9296734, 194 Beta-secretase 1 Homo sapiens 156 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373125 329965872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377827 COc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-4-9(5-11(21)14(10)22)28-16(30)15-12(31-2)3-8(20)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 PSHOVOIOCRZCGO-UGSOOPFHSA-N 215002 US9296734, 195 Beta-secretase 1 Homo sapiens 71 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372990 329965873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377828 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C19H15F8N5O3/c1-17(4-12(19(25,26)27)35-16(28)32-17)9-2-8(3-10(20)14(9)21)31-15(33)11-5-30-13(6-29-11)34-7-18(22,23)24/h2-3,5-6,12H,4,7H2,1H3,(H2,28,32)(H,31,33)/t12-,17-/m0/s1 LVAPAZMDWGCBAC-SJCJKPOMSA-N 214993 US9296734, 186 Beta-secretase 1 Homo sapiens 21 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372817 329965864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377829 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H13ClF7N5O2/c1-16(4-10(17(23,24)25)32-15(26)28-16)7-2-6(3-9(19)11(7)20)27-13(31)12-8(18)5-30(29-12)14(21)22/h2-3,5,10,14H,4H2,1H3,(H2,26,28)(H,27,31)/t10-,16-/m0/s1 JKSUNYVCXXLKLU-QFYYESIMSA-N 215003 US9296734, 196 Beta-secretase 1 Homo sapiens 11 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372797 329965874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377830 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F8N5O3/c1-8-15(30-6-13(31-8)35-7-19(23,24)25)16(34)32-9-3-10(14(22)11(21)4-9)18(2)5-12(20(26,27)28)36-17(29)33-18/h3-4,6,12H,5,7H2,1-2H3,(H2,29,33)(H,32,34)/t12-,18-/m0/s1 URXDDNHYDQLRAI-SGTLLEGYSA-N 215004 US9296734, 197 Beta-secretase 1 Homo sapiens 27 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372862 329965875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377831 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C19H14ClF7N4O2/c1-18(5-12(19(25,26)27)33-17(28)31-18)9-3-8(4-11(21)13(9)22)30-16(32)14-10(20)2-7(6-29-14)15(23)24/h2-4,6,12,15H,5H2,1H3,(H2,28,31)(H,30,32)/t12-,18-/m0/s1 FXPVAGYMPYOYKV-SGTLLEGYSA-N 215005 US9296734, 198 Beta-secretase 1 Homo sapiens 58 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373055 329965876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377832 COCc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H18ClF5N4O3/c1-19(6-14(20(24,25)26)33-18(27)30-19)12-4-11(5-13(22)15(12)23)29-17(31)16-9(8-32-2)3-10(21)7-28-16/h3-5,7,14H,6,8H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 INBJWWLIZYJULR-LIRRHRJNSA-N 215006 US9296734, 199 Beta-secretase 1 Homo sapiens 16 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372884 329965877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377833 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)cc(F)c1F InChI=1S/C19H15F7N4O2/c1-18(6-13(19(24,25)26)32-17(27)30-18)10-4-9(5-11(20)14(10)21)29-16(31)12-3-2-8(7-28-12)15(22)23/h2-5,7,13,15H,6H2,1H3,(H2,27,30)(H,29,31)/t13-,18-/m0/s1 ISQWYOURAYVBHY-UGSOOPFHSA-N 215007 US9296734, 200 Beta-secretase 1 Homo sapiens 40 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373290 329965878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377834 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(Cl)c1F InChI=1S/C18H14Cl2F4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 SZNVTIQOGRMEDD-GUYCJALGSA-N 215015 US9296734, 207 Beta-secretase 1 Homo sapiens 11 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373230 329965884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377835 COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(19)14(9)20)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 UJACHSGNPAQFMC-SJCJKPOMSA-N 215016 US9296734, 208 Beta-secretase 1 Homo sapiens 12 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373102 329965885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377836 COc1ccc(nc1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17ClF4N4O3/c1-18(7-14(19(22,23)24)31-17(25)28-18)11-5-9(6-12(20)15(11)21)27-16(29)13-4-3-10(30-2)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,25,28)(H,27,29)/t14-,18-/m0/s1 MSRIEPUHODTAMI-KSSFIOAISA-N 215017 US9296734, 209 Beta-secretase 1 Homo sapiens 15 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372830 329965886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377837 Cc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16ClF4N5O2/c1-9-3-10(7-26)8-28-16(9)17(31)29-11-4-12(15(22)13(21)5-11)19(2)6-14(20(23,24)25)32-18(27)30-19/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 ZBZPGJLTVUOKJO-LIRRHRJNSA-N 215018 US9296734, 210 Beta-secretase 1 Homo sapiens 11 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373224 329965887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377838 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(Cl)c1F InChI=1S/C18H14ClF6N5O2/c1-17(4-12(18(23,24)25)32-16(26)30-17)8-2-7(3-9(19)13(8)20)29-15(31)11-6-27-10(5-28-11)14(21)22/h2-3,5-6,12,14H,4H2,1H3,(H2,26,30)(H,29,31)/t12-,17-/m0/s1 CBBIUJLSFAPYDR-SJCJKPOMSA-N 215019 US9296734, 211 Beta-secretase 1 Homo sapiens 62 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373163 329965888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377839 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(Cl)c1F InChI=1S/C20H16ClF4N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1 LVURSRPBGNGMPV-LIRRHRJNSA-N 215020 US9296734, 212 Beta-secretase 1 Homo sapiens <2 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373160 329965889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377840 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(Cl)c1F InChI=1S/C18H14BrClF4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 SCVKCUCVUJRXBL-GUYCJALGSA-N 215021 US9296734, 213 Beta-secretase 1 Homo sapiens 10 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373201 329965890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377841 COc1cnc(C(=O)Nc2cc(Cl)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H18ClF4N5O3/c1-8-15(26-7-13(27-8)31-3)16(30)28-9-4-10(14(21)11(20)5-9)18(2)6-12(19(22,23)24)32-17(25)29-18/h4-5,7,12H,6H2,1-3H3,(H2,25,29)(H,28,30)/t12-,18-/m0/s1 MRJRDKDTZRAYCS-SGTLLEGYSA-N 215023 US9296734, 215 Beta-secretase 1 Homo sapiens 48 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373505 329965892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377842 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(Cl)c1F InChI=1S/C19H15ClF7N5O3/c1-17(4-12(19(25,26)27)35-16(28)32-17)9-2-8(3-10(20)14(9)21)31-15(33)11-5-30-13(6-29-11)34-7-18(22,23)24/h2-3,5-6,12H,4,7H2,1H3,(H2,28,32)(H,31,33)/t12-,17-/m0/s1 SWFQZHRMBVAQEJ-SJCJKPOMSA-N 215022 US9296734, 214 Beta-secretase 1 Homo sapiens 8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372970 329965891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377843 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1Cl InChI=1S/C18H14Cl2F4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(21)14(10)20)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 VODWVVCPSRNTMY-GUYCJALGSA-N 215045 US9296734, 236 Beta-secretase 1 Homo sapiens 11 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732276 329965913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377844 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(20)14(9)19)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 PCFLHPOLXMMRAD-SJCJKPOMSA-N 215046 US9296734, 237 Beta-secretase 1 Homo sapiens 29 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373228 329965914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377845 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl InChI=1S/C19H14ClF4N5O2/c1-18(6-14(19(22,23)24)31-17(26)29-18)11-4-10(5-12(21)15(11)20)28-16(30)13-3-2-9(7-25)8-27-13/h2-5,8,14H,6H2,1H3,(H2,26,29)(H,28,30)/t14-,18-/m0/s1 XOQVCCZUTDOIAW-KSSFIOAISA-N 215047 US9296734, 238 Beta-secretase 1 Homo sapiens 8 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372869 329965915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377846 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(F)c1 InChI=1S/C19H16F6N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-3-8(4-11(20)14(10)22)28-16(30)15-12(21)5-9(31-2)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 HQSLQGZKDXFBJY-UGSOOPFHSA-N 215048 US9296734, 239 Beta-secretase 1 Homo sapiens 33 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373209 329965916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 377847 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cc2F)cc(F)c1F InChI=1S/C18H13BrF6N4O2/c1-17(5-12(18(23,24)25)31-16(26)29-17)9-3-8(4-10(20)13(9)22)28-15(30)14-11(21)2-7(19)6-27-14/h2-4,6,12H,5H2,1H3,(H2,26,29)(H,28,30)/t12-,17-/m0/s1 ZZPJGOKPTZEOIK-SJCJKPOMSA-N 215049 US9296734, 240 Beta-secretase 1 Homo sapiens 20 4.2 US Patent 10.7270/Q2DR2TB3 aid1802460 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90382583 329965917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378097 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H15ClF5N5O/c21-11-5-10-3-4-28-17(16(10)29-8-11)30-12-1-2-14(23)13(6-12)19(9-22)7-15(20(24,25)26)32-18(27)31-19/h1-6,8,15H,7,9H2,(H2,27,31)(H,28,30)/t15-,19+/m0/s1 CCHOGVQCNCTVED-HNAYVOBHSA-N 214807 US9296734, 22::US9296734, 8 Beta-secretase 1 Homo sapiens 57 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732113 329965684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378098 Cc1cc(Cl)cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16ClF4N5O2/c1-8-3-9(19)6-25-13(8)15(29)27-10-4-11(14(20)26-7-10)17(2)5-12(18(21,22)23)30-16(24)28-17/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 OYOWKRLQEBXXFF-SJCJKPOMSA-N 214860 US9296734, 61 Beta-secretase 1 Homo sapiens 39.1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322074 329965735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378099 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c20-9-18(6-15(19(22,23)24)31-17(26)29-18)12-5-11(2-3-13(12)21)28-16(30)14-4-1-10(7-25)8-27-14/h1-5,8,15H,6,9H2,(H2,26,29)(H,28,30)/t15-,18+/m0/s1 QCMXWFUAVCHHIA-MAUKXSAKSA-N 50432603 CHEMBL2347187::US9296734, 59 Beta-secretase 1 Homo sapiens 27 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HM 4J1E 71305057 164161478 CHEMBL2347187 ZINC95602098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378100 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17ClF4N4O2/c1-9-5-10(20)8-26-15(9)16(29)27-11-3-4-13(21)12(6-11)18(2)7-14(19(22,23)24)30-17(25)28-18/h3-6,8,14H,7H2,1-2H3,(H2,25,28)(H,27,29)/t14-,18-/m0/s1 FLOQLFHUIOTUTO-KSSFIOAISA-N 214831 US9296734, 31 Beta-secretase 1 Homo sapiens 14.4 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322073 329965707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378101 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF5N5O2/c20-12-3-9(6-26)7-28-15(12)16(31)29-10-1-2-13(22)11(4-10)18(8-21)5-14(19(23,24)25)32-17(27)30-18/h1-4,7,14H,5,8H2,(H2,27,30)(H,29,31)/t14-,18+/m0/s1 MOMLEQNWBDCETG-KBXCAEBGSA-N 214832 US9296734, 32 Beta-secretase 1 Homo sapiens 54.4 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668048 329965708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378102 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H18F5N5O3/c1-9-15(26-7-14(27-9)31-2)16(30)28-10-3-4-12(21)11(5-10)18(8-20)6-13(19(22,23)24)32-17(25)29-18/h3-5,7,13H,6,8H2,1-2H3,(H2,25,29)(H,28,30)/t13-,18+/m0/s1 FOWQPYBFNSIGLL-SCLBCKFNSA-N 214833 US9296734, 33 Beta-secretase 1 Homo sapiens 100 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321765 329965709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378103 COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O3/c1-31-13-4-9(20)7-27-15(13)16(30)28-10-2-3-12(22)11(5-10)18(8-21)6-14(19(23,24)25)32-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 OJXHVKRDKPVNQU-KBXCAEBGSA-N 214846 US9296734, 47 Beta-secretase 1 Homo sapiens 67.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321764 329965722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378104 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(7-14(18(21,22)23)29-16(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)8-25-13/h2-6,8,14H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,17-/m0/s1 GLPZXCBSTJTISQ-YOEHRIQHSA-N 214826 US9296734, 26::US9296734, 60 Beta-secretase 1 Homo sapiens 13.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71667461 329965702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378105 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(7-14(18(21,22)23)29-16(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)8-25-13/h2-6,8,14H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,17-/m0/s1 GLPZXCBSTJTISQ-YOEHRIQHSA-N 214826 US9296734, 26::US9296734, 60 Beta-secretase 1 Homo sapiens 4.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71667461 329965702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378106 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H14F4N6O2/c1-17(5-13(18(20,21)22)30-16(24)28-17)11-4-10(8-26-14(11)19)27-15(29)12-3-2-9(6-23)7-25-12/h2-4,7-8,13H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1 GZQHKBFOERBNAG-GUYCJALGSA-N 214861 US9296734, 62 Beta-secretase 1 Homo sapiens 28.6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321762 329965736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378107 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C19H15F4N5O2/c1-18(8-15(19(21,22)23)30-17(24)28-18)12-7-10(3-5-13(12)20)27-16(29)14-6-4-11(25-2)9-26-14/h3-7,9,15H,8H2,1H3,(H2,24,28)(H,27,29)/t15-,18-/m0/s1 MQGTZQMQZZRLLU-YJBOKZPZSA-N 214992 US9296734, 185 Beta-secretase 1 Homo sapiens 2.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221534 329965863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378108 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C19H16ClF5N4O3/c1-31-10-5-12(20)15(27-7-10)16(30)28-9-2-3-13(22)11(4-9)18(8-21)6-14(19(23,24)25)32-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 DDSHXFILKTVOHT-KBXCAEBGSA-N 214849 US9296734, 50 Beta-secretase 1 Homo sapiens 26.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321124 329965725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378109 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C21H14F6N6O/c22-9-20(5-16(21(25,26)27)34-19(29)33-20)13-4-11(1-2-14(13)23)32-18-17-12(15(24)8-31-18)3-10(6-28)7-30-17/h1-4,7-8,16H,5,9H2,(H2,29,33)(H,31,32)/t16-,20+/m0/s1 LWXHQLQQXIEDPY-OXJNMPFZSA-N 214809 US9296734, 10 Beta-secretase 1 Homo sapiens 108 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321123 329965686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378110 Cc1cc(OCC2CC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C23H23F5N4O3/c1-12-6-15(34-10-13-2-3-13)9-30-19(12)20(33)31-14-4-5-17(25)16(7-14)22(11-24)8-18(23(26,27)28)35-21(29)32-22/h4-7,9,13,18H,2-3,8,10-11H2,1H3,(H2,29,32)(H,31,33)/t18-,22+/m0/s1 WXNCHWJYOUAHGQ-PGRDOPGGSA-N 214837 US9296734, 37 Beta-secretase 1 Homo sapiens 15.7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373221 329965713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378111 COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O3/c1-32-14-4-10(7-26)8-28-16(14)17(31)29-11-2-3-13(22)12(5-11)19(9-21)6-15(20(23,24)25)33-18(27)30-19/h2-5,8,15H,6,9H2,1H3,(H2,27,30)(H,29,31)/t15-,19+/m0/s1 GSULBDRDQOJUHA-HNAYVOBHSA-N 214847 US9296734, 48 Beta-secretase 1 Homo sapiens 32.2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373184 329965723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378112 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H14BrF5N4O2/c19-9-1-4-13(26-7-9)15(29)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)30-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1 QKABRHMRLFQOCY-WMLDXEAASA-N 214851 US9296734, 52 Beta-secretase 1 Homo sapiens 17.6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322077 329965727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378113 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cnc1F InChI=1S/C18H13ClF4N6O2/c1-17(4-12(18(21,22)23)31-16(25)29-17)10-3-9(7-27-14(10)20)28-15(30)13-11(19)2-8(5-24)6-26-13/h2-3,6-7,12H,4H2,1H3,(H2,25,29)(H,28,30)/t12-,17-/m0/s1 SCUMFBXTHSZDFG-SJCJKPOMSA-N 214865 US9296734, 66 Beta-secretase 1 Homo sapiens 35.1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732133 329965740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378114 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cnc1F InChI=1S/C20H14F5N7O/c1-19(4-14(20(23,24)25)33-18(27)32-19)12-3-10(7-29-16(12)22)31-17-15-11(13(21)8-30-17)2-9(5-26)6-28-15/h2-3,6-8,14H,4H2,1H3,(H2,27,32)(H,30,31)/t14-,19-/m0/s1 ONSSCAPLXLEXND-LIRRHRJNSA-N 214877 US9296734, 78 Beta-secretase 1 Homo sapiens 64.1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732134 329965752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378115 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H14ClF5N6O/c20-9-3-13-15(27-6-9)16(29-8-28-13)30-10-1-2-12(22)11(4-10)18(7-21)5-14(19(23,24)25)32-17(26)31-18/h1-4,6,8,14H,5,7H2,(H2,26,31)(H,28,29,30)/t14-,18+/m0/s1 CVTKHHCVVGKASF-KBXCAEBGSA-N 214810 US9296734, 11 Beta-secretase 1 Homo sapiens 63.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372932 329965687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378116 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C20H14F5N7O/c1-27-11-5-14-16(28-7-11)17(30-9-29-14)31-10-2-3-13(22)12(4-10)19(8-21)6-15(20(23,24)25)33-18(26)32-19/h2-5,7,9,15H,6,8H2,(H2,26,32)(H,29,30,31)/t15-,19+/m0/s1 FXIBSISNODTNIJ-HNAYVOBHSA-N 214822 US9296734, 23 Beta-secretase 1 Homo sapiens 192 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221527 329965698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378117 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F5N4O3/c1-30-11-3-5-14(26-8-11)16(29)27-10-2-4-13(21)12(6-10)18(9-20)7-15(19(22,23)24)31-17(25)28-18/h2-6,8,15H,7,9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 HHBMLXDPSJOPLK-MAUKXSAKSA-N 214848 US9296734, 49 Beta-secretase 1 Homo sapiens 19.7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668050 329965724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378118 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1 MELQHVBGGSKVJQ-YJBOKZPZSA-N 50432601 CHEMBL2347208::US9296734, 102 Beta-secretase 1 Homo sapiens 11.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HL 4J1F 71305058 164161476 CHEMBL2347208 ZINC95604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378119 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cnc1F InChI=1S/C19H15ClF4N6O/c1-18(6-13(19(22,23)24)31-17(25)30-18)12-5-11(8-28-15(12)21)29-16-14-9(2-3-26-16)4-10(20)7-27-14/h2-5,7-8,13H,6H2,1H3,(H2,25,30)(H,26,29)/t13-,18-/m0/s1 UTRZDSNQTMKVHA-UGSOOPFHSA-N 214875 US9296734, 76 Beta-secretase 1 Homo sapiens 42 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321122 329965750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378120 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)cnc1F InChI=1S/C18H14ClF4N7O/c1-17(4-12(18(21,22)23)31-16(24)30-17)10-3-9(6-26-14(10)20)29-15-13-11(27-7-28-15)2-8(19)5-25-13/h2-3,5-7,12H,4H2,1H3,(H2,24,30)(H,27,28,29)/t12-,17-/m0/s1 GDGGLXWHVCHUOD-SJCJKPOMSA-N 214873 US9296734, 74 Beta-secretase 1 Homo sapiens 37.6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320811 329965748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378121 Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C19H16F4N6O2/c1-9-3-10(6-24)7-26-14(9)16(30)28-11-4-12(15(20)27-8-11)18(2)5-13(19(21,22)23)31-17(25)29-18/h3-4,7-8,13H,5H2,1-2H3,(H2,25,29)(H,28,30)/t13-,18-/m0/s1 AOLLQRLVRFPHMU-UGSOOPFHSA-N 214866 US9296734, 67 Beta-secretase 1 Homo sapiens 23 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321761 329965741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378122 COc1cnc(C(=O)Nc2cnc(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)10-3-8(6-26-14(10)20)27-15(29)13-11(19)4-9(30-2)7-25-13/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 QDBLNVMBHVAXAF-SJCJKPOMSA-N 214868 US9296734, 69 Beta-secretase 1 Homo sapiens 25.3 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321760 329965743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378123 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cnc1F InChI=1S/C20H15F4N7O/c1-19(6-14(20(22,23)24)32-18(26)31-19)13-5-12(9-29-16(13)21)30-17-15-11(2-3-27-17)4-10(7-25)8-28-15/h2-5,8-9,14H,6H2,1H3,(H2,26,31)(H,27,30)/t14-,19-/m0/s1 VFSFJNSLXGLHOI-LIRRHRJNSA-N 214876 US9296734, 77 Beta-secretase 1 Homo sapiens 24.8 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320809 329965751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378124 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C#N)cnc1F InChI=1S/C19H14F4N8O/c1-18(4-13(19(21,22)23)32-17(25)31-18)11-3-10(7-27-15(11)20)30-16-14-12(28-8-29-16)2-9(5-24)6-26-14/h2-3,6-8,13H,4H2,1H3,(H2,25,31)(H,28,29,30)/t13-,18-/m0/s1 KJBKHJJJGKNGTR-UGSOOPFHSA-N 214874 US9296734, 75 Beta-secretase 1 Homo sapiens 91.2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320810 329965749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378125 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)cnc1F InChI=1S/C17H13Cl2F4N5O2/c1-16(4-11(17(21,22)23)30-15(24)28-16)9-3-8(6-26-13(9)20)27-14(29)12-10(19)2-7(18)5-25-12/h2-3,5-6,11H,4H2,1H3,(H2,24,28)(H,27,29)/t11-,16-/m0/s1 WTQJLKGKDKGXBB-ZBEGNZNMSA-N 214867 US9296734, 68 Beta-secretase 1 Homo sapiens 111 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321449 329965742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378126 Cc1cc(Cl)cnc1C(=S)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4OS/c1-9-4-10(20)7-27-15(9)16(31)28-11-2-3-13(22)12(5-11)18(8-21)6-14(19(23,24)25)30-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,31)/t14-,18+/m0/s1 KWXZSPGMEBATPQ-KBXCAEBGSA-N 214889 US9296734, 90 Beta-secretase 1 Homo sapiens 909 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321448 329965764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378127 Cc1c(nc2ccccn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O2/c1-11-17(29-16-4-2-3-7-31(11)16)18(32)28-12-5-6-14(23)13(8-12)20(10-22)9-15(21(24,25)26)33-19(27)30-20/h2-8,15H,9-10H2,1H3,(H2,27,30)(H,28,32)/t15-,20+/m0/s1 VBRNPACCSYLXRZ-MGPUTAFESA-N 214806 US9296734, 7 Beta-secretase 1 Homo sapiens 888 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320808 329965683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378128 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F InChI=1S/C18H14F7N5O2/c1-17(4-12(18(23,24)25)32-16(26)30-17)8-2-7(3-9(19)13(8)20)29-15(31)11-6-27-10(5-28-11)14(21)22/h2-3,5-6,12,14H,4H2,1H3,(H2,26,30)(H,29,31)/t12-,17-/m0/s1 VTVGTRYCYBHBOJ-SJCJKPOMSA-N 215000 US9296734, 193 Beta-secretase 1 Homo sapiens 21.3 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373194 329965871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378129 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C20H14F5N7O/c1-19(5-13(20(23,24)25)33-18(27)32-19)16-11(21)2-3-14(30-16)31-17-15-10(12(22)8-29-17)4-9(6-26)7-28-15/h2-4,7-8,13H,5H2,1H3,(H2,27,32)(H,29,30,31)/t13-,19-/m0/s1 WFWYGKDLGMHHLO-DJJJIMSYSA-N 214888 US9296734, 89 Beta-secretase 1 Homo sapiens 383 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320807 329965763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378130 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C18H13ClF7N5O2/c1-16(5-10(18(24,25)26)33-15(27)31-16)13-9(20)2-3-11(29-13)30-14(32)12-8(19)4-7(6-28-12)17(21,22)23/h2-4,6,10H,5H2,1H3,(H2,27,31)(H,29,30,32)/t10-,16-/m0/s1 XUSLPMBGYMTYIP-QFYYESIMSA-N 214880 US9296734, 81 Beta-secretase 1 Homo sapiens 18.6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321446 329965755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378131 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClF4N6O2/c1-17(5-11(18(21,22)23)31-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(6-24)7-26-13/h2-4,7,11H,5H2,1H3,(H2,25,29)(H,27,28,30)/t11-,17-/m0/s1 SEDNJKRDPITJTN-GTNSWQLSSA-N 214881 US9296734, 82 Beta-secretase 1 Homo sapiens 4.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321445 329965756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378132 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F6N4O2/c19-8-17(6-14(18(22,23)24)30-16(25)28-17)11-5-10(2-3-12(11)21)27-15(29)13-4-1-9(20)7-26-13/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1 NJIHNSPWTBSFKB-WMLDXEAASA-N 214856 US9296734, 57 Beta-secretase 1 Homo sapiens 106 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321444 329965732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378133 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H13Cl2F5N4O2/c19-8-3-11(20)14(27-6-8)15(30)28-9-1-2-12(22)10(4-9)17(7-21)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 SXGOGHFRCNZQNM-SUMWQHHRSA-N 214857 US9296734, 58 Beta-secretase 1 Homo sapiens 65.2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668049 329965733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378134 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF4N5O2/c1-16(6-11(17(20,21)22)29-15(23)27-16)13-9(19)3-5-12(25-13)26-14(28)10-4-2-8(18)7-24-10/h2-5,7,11H,6H2,1H3,(H2,23,27)(H,25,26,28)/t11-,16-/m0/s1 FWHRMLYVMNQBGS-ZBEGNZNMSA-N 214882 US9296734, 83 Beta-secretase 1 Homo sapiens 38.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321127 329965757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378135 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C19H16F4N6O2/c1-9-5-10(7-24)8-26-14(9)16(30)28-13-4-3-11(20)15(27-13)18(2)6-12(19(21,22)23)31-17(25)29-18/h3-5,8,12H,6H2,1-2H3,(H2,25,29)(H,27,28,30)/t12-,18-/m0/s1 RJBTVAGNSNUOCY-SGTLLEGYSA-N 214883 US9296734, 84 Beta-secretase 1 Homo sapiens 4.8 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321126 329965758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378136 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cc2Cl)ccc1F InChI=1S/C18H13BrClF5N4O2/c19-8-3-11(20)14(27-6-8)15(30)28-9-1-2-12(22)10(4-9)17(7-21)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 BWKHCKWUYYLDFL-SUMWQHHRSA-N 214855 US9296734, 56 Beta-secretase 1 Homo sapiens 37.7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321125 329965731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378137 CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](C)(C[C@H](O1)C(F)(F)F)c1cc(Br)cnc1F InChI=1S/C23H22BrF4N3O4/c1-21(2,3)35-20(33)31(18(32)13-8-6-5-7-9-13)19-30-22(4,11-16(34-19)23(26,27)28)15-10-14(24)12-29-17(15)25/h5-10,12,16H,11H2,1-4H3/t16-,22-/m0/s1 UUZWHMNPDWIYBW-AOMKIAJQSA-N 214859 US9296734, 136 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732129 329965734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378138 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1cncc(c1)C#N InChI=1S/C18H13F5N4O/c19-9-17(5-15(18(21,22)23)28-16(25)27-17)13-4-11(1-2-14(13)20)12-3-10(6-24)7-26-8-12/h1-4,7-8,15H,5,9H2,(H2,25,27)/t15-,17+/m0/s1 LDPGWWMERKOONX-DOTOQJQBSA-N 214904 US9296734, 103 Beta-secretase 1 Homo sapiens 3850 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732149 329965779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378139 COC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 InChI=1S/C19H16F5N3O4/c1-29-16(28)10-4-5-26-15(6-10)30-11-2-3-13(21)12(7-11)18(9-20)8-14(19(22,23)24)31-17(25)27-18/h2-7,14H,8-9H2,1H3,(H2,25,27)/t14-,18+/m0/s1 KUHXAKYQJRXJGH-KBXCAEBGSA-N 214907 US9296734, 106 Beta-secretase 1 Homo sapiens 3560 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372961 329965782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378140 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cnccn2)ccc1F InChI=1S/C16H13F5N4O2/c17-8-15(6-12(16(19,20)21)27-14(22)25-15)10-5-9(1-2-11(10)18)26-13-7-23-3-4-24-13/h1-5,7,12H,6,8H2,(H2,22,25)/t12-,15+/m0/s1 RCRIODLOKFVBKZ-SWLSCSKDSA-N 214892 US9296734, 92 Beta-secretase 1 Homo sapiens 1650 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732148 329965767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378141 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 BLTKBPLCDMBXIL-XJKSGUPXSA-N 214893 US9296734, 93 Beta-secretase 1 Homo sapiens 1840 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372839 329965768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378142 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 BLTKBPLCDMBXIL-XJKSGUPXSA-N 214893 US9296734, 93 Beta-secretase 1 Homo sapiens 4850 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372839 329965768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378143 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C17H13F6N3O2/c18-8-16(7-13(17(21,22)23)28-15(24)26-16)10-6-9(3-4-11(10)19)27-14-12(20)2-1-5-25-14/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 PZOIBDWDOFHTCP-XJKSGUPXSA-N 214895 US9296734, 94 Beta-secretase 1 Homo sapiens 294 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380068 329965770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378144 COC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 InChI=1S/C19H16F5N3O4/c1-29-16(28)10-4-5-26-15(6-10)30-11-2-3-13(21)12(7-11)18(9-20)8-14(19(22,23)24)31-17(25)27-18/h2-7,14H,8-9H2,1H3,(H2,25,27)/t14-,18+/m0/s1 KUHXAKYQJRXJGH-KBXCAEBGSA-N 214907 US9296734, 106 Beta-secretase 1 Homo sapiens 2140 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372961 329965782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378145 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncc(Cl)cc2F)ccc1F InChI=1S/C17H12ClF6N3O2/c18-8-3-12(21)14(26-6-8)28-9-1-2-11(20)10(4-9)16(7-19)5-13(17(22,23)24)29-15(25)27-16/h1-4,6,13H,5,7H2,(H2,25,27)/t13-,16+/m0/s1 SNHXIEQWICIVNI-XJKSGUPXSA-N 214896 US9296734, 95 Beta-secretase 1 Homo sapiens 2590 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372915 329965771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378146 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2C#N)ccc1F InChI=1S/C18H13F5N4O2/c19-9-17(7-14(18(21,22)23)29-16(25)27-17)12-6-11(3-4-13(12)20)28-15-10(8-24)2-1-5-26-15/h1-6,14H,7,9H2,(H2,25,27)/t14-,17+/m0/s1 AUNCNQOOBYHNQN-WMLDXEAASA-N 214908 US9296734, 107 Beta-secretase 1 Homo sapiens 3610 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373245 329965783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378147 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccn2)ccc1F InChI=1S/C16H13F5N4O2/c17-8-15(7-12(16(19,20)21)27-13(22)25-15)10-6-9(2-3-11(10)18)26-14-23-4-1-5-24-14/h1-6,12H,7-8H2,(H2,22,25)/t12-,15+/m0/s1 CKDWVTYJRHIJRQ-SWLSCSKDSA-N 214909 US9296734, 108 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373212 329965784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378148 CNC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 InChI=1S/C19H17F5N4O3/c1-26-16(29)10-4-5-27-15(6-10)30-11-2-3-13(21)12(7-11)18(9-20)8-14(19(22,23)24)31-17(25)28-18/h2-7,14H,8-9H2,1H3,(H2,25,28)(H,26,29)/t14-,18+/m0/s1 GTJYYQGHZSAKEF-KBXCAEBGSA-N 214897 US9296734, 96 Beta-secretase 1 Homo sapiens 3270 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373057 329965772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378149 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2nccc(c2F)C(F)(F)F)ccc1F InChI=1S/C18H12F9N3O2/c19-7-16(6-12(18(25,26)27)32-15(28)30-16)10-5-8(1-2-11(10)20)31-14-13(21)9(3-4-29-14)17(22,23)24/h1-5,12H,6-7H2,(H2,28,30)/t12-,16+/m0/s1 ZKPWDRUCTOKPHI-BLLLJJGKSA-N 214910 US9296734, 109 Beta-secretase 1 Homo sapiens 8180 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373043 329965785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378150 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2Cl)ccc1F InChI=1S/C17H13ClF5N3O2/c18-11-2-1-5-25-14(11)27-9-3-4-12(20)10(6-9)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1 XRSAAOSZIHJCAU-XJKSGUPXSA-N 214898 US9296734, 97 Beta-secretase 1 Homo sapiens 1500 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373030 329965773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378151 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cccc(n2)C(F)(F)F)ccc1F InChI=1S/C18H13F8N3O2/c19-8-16(7-13(18(24,25)26)31-15(27)29-16)10-6-9(4-5-11(10)20)30-14-3-1-2-12(28-14)17(21,22)23/h1-6,13H,7-8H2,(H2,27,29)/t13-,16+/m0/s1 QIFYHPHEHQRDPC-XJKSGUPXSA-N 214911 US9296734, 110 Beta-secretase 1 Homo sapiens 4560 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373188 329965786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378152 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)cc(Cl)n2)ccc1F InChI=1S/C17H12BrClF5N3O2/c18-8-3-13(19)26-14(4-8)28-9-1-2-11(21)10(5-9)16(7-20)6-12(17(22,23)24)29-15(25)27-16/h1-5,12H,6-7H2,(H2,25,27)/t12-,16+/m0/s1 NNPNVJMRYAFUEL-BLLLJJGKSA-N 214899 US9296734, 98 Beta-secretase 1 Homo sapiens 2900 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380069 329965774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378153 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(ccn2)C(F)(F)F)ccc1F InChI=1S/C18H13F8N3O2/c19-8-16(7-13(18(24,25)26)31-15(27)29-16)11-6-10(1-2-12(11)20)30-14-5-9(3-4-28-14)17(21,22)23/h1-6,13H,7-8H2,(H2,27,29)/t13-,16+/m0/s1 IEZGFSJHDOMVTB-XJKSGUPXSA-N 214900 US9296734, 99 Beta-secretase 1 Homo sapiens 3760 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372937 329965775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378154 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1 MELQHVBGGSKVJQ-YJBOKZPZSA-N 50432601 CHEMBL2347208::US9296734, 102 Beta-secretase 1 Homo sapiens 2820 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HL 4J1F 71305058 164161476 CHEMBL2347208 ZINC95604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378155 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(N)cnc1F InChI=1S/C11H11F5N4O/c12-4-10(6-1-5(17)3-19-8(6)13)2-7(11(14,15)16)21-9(18)20-10/h1,3,7H,2,4,17H2,(H2,18,20)/t7-,10+/m0/s1 JLHVUZMQJMBDBI-OIBJUYFYSA-N 214941 US9296734, 138 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732195 329965816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378156 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H13ClF5N5O2/c18-8-1-2-11(25-5-8)14(29)27-9-3-10(13(20)26-6-9)16(7-19)4-12(17(21,22)23)30-15(24)28-16/h1-3,5-6,12H,4,7H2,(H2,24,28)(H,27,29)/t12-,16+/m0/s1 VHFDRILWGLQYGO-BLLLJJGKSA-N 214943 US9296734, 139 Beta-secretase 1 Homo sapiens 418 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732197 329965818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378157 Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C19H15F5N6O2/c1-9-2-10(5-25)6-27-14(9)16(31)29-11-3-12(15(21)28-7-11)18(8-20)4-13(19(22,23)24)32-17(26)30-18/h2-3,6-7,13H,4,8H2,1H3,(H2,26,30)(H,29,31)/t13-,18+/m0/s1 FAMQARXBUVCIHO-SCLBCKFNSA-N 214944 US9296734, 140 Beta-secretase 1 Homo sapiens 338 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732198 329965819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378158 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H13F5N6O2/c19-8-17(4-13(18(21,22)23)31-16(25)29-17)11-3-10(7-27-14(11)20)28-15(30)12-2-1-9(5-24)6-26-12/h1-3,6-7,13H,4,8H2,(H2,25,29)(H,28,30)/t13-,17+/m0/s1 QHERQDCOGJOAIH-SUMWQHHRSA-N 214945 US9296734, 141 Beta-secretase 1 Homo sapiens 639 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732199 329965820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378159 COc1ccc(nc1)C(=O)Nc1cnc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-30-10-2-3-12(25-7-10)15(29)27-9-4-11(14(20)26-6-9)17(8-19)5-13(18(21,22)23)31-16(24)28-17/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17+/m0/s1 MYBWSBFMLSJZHA-SUMWQHHRSA-N 214946 US9296734, 142 Beta-secretase 1 Homo sapiens 587 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732200 329965821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378160 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF4N4O2/c19-11-4-5-13(25-8-11)15(28)26-12-3-1-2-10(6-12)17(9-20)7-14(18(21,22)23)29-16(24)27-17/h1-6,8,14H,7,9H2,(H2,24,27)(H,26,28)/t14-,17+/m0/s1 QAZFGWQKRSWCHW-WMLDXEAASA-N 214948 US9296734, 143 Beta-secretase 1 Homo sapiens 154 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732210 329965823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378161 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C19H15F4N5O2/c20-10-18(7-15(19(21,22)23)30-17(25)28-18)12-2-1-3-13(6-12)27-16(29)14-5-4-11(8-24)9-26-14/h1-6,9,15H,7,10H2,(H2,25,28)(H,27,29)/t15-,18+/m0/s1 GIRLXEOJFTYCJV-MAUKXSAKSA-N 214949 US9296734, 144 Beta-secretase 1 Homo sapiens 67 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372984 329965824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378162 COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H18F4N4O3/c1-29-13-5-6-14(25-9-13)16(28)26-12-4-2-3-11(7-12)18(10-20)8-15(19(21,22)23)30-17(24)27-18/h2-7,9,15H,8,10H2,1H3,(H2,24,27)(H,26,28)/t15-,18+/m0/s1 URKAGSPSTOXMJN-MAUKXSAKSA-N 214950 US9296734, 145 Beta-secretase 1 Homo sapiens 55 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372790 329965825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378163 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(Nc2nccc3cc(Cl)cnc23)c1 InChI=1S/C20H16ClF4N5O/c21-13-6-11-4-5-27-17(16(11)28-9-13)29-14-3-1-2-12(7-14)19(10-22)8-15(20(23,24)25)31-18(26)30-19/h1-7,9,15H,8,10H2,(H2,26,30)(H,27,29)/t15-,19+/m0/s1 WUZUAEBAYWXFPN-HNAYVOBHSA-N 214951 US9296734, 146 Beta-secretase 1 Homo sapiens 119 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373045 329965826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378164 COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17ClF3N5O3/c1-17(6-13(18(20,21)22)30-16(23)27-17)11-5-10(8-25-15(11)29-2)26-14(28)12-4-3-9(19)7-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,27)(H,26,28)/t13-,17-/m0/s1 GHQNDDOLLUWAEX-GUYCJALGSA-N 214952 US9296734, 147 Beta-secretase 1 Homo sapiens 119 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732213 329965827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378165 Cn1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(c1=O)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F3N6O3/c1-18(7-14(19(20,21)22)31-17(23)27-18)12-6-11(9-28(3)16(12)30)26-15(29)13-5-4-10(24-2)8-25-13/h4-6,8-9,14H,7H2,1,3H3,(H2,23,27)(H,26,29)/t14-,18-/m0/s1 URDLEYOXJFCRBU-KSSFIOAISA-N 214954 US9296734, 149 Beta-secretase 1 Homo sapiens 21 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221530 329965829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378166 Cn1cc(NC(=O)c2ccc(Cl)cn2)cc(c1=O)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17ClF3N5O3/c1-17(6-13(18(20,21)22)30-16(23)26-17)11-5-10(8-27(2)15(11)29)25-14(28)12-4-3-9(19)7-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,26)(H,25,28)/t13-,17-/m0/s1 VVZBXLLBZPUQTA-GUYCJALGSA-N 214953 US9296734, 148 Beta-secretase 1 Homo sapiens 12.7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732216 329965828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378167 Cc1cc(cnc1C(=O)Nc1cc(c(=O)n(C)c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)[N+]#[C-] InChI=1S/C20H19F3N6O3/c1-10-5-11(25-3)8-26-15(10)16(30)27-12-6-13(17(31)29(4)9-12)19(2)7-14(20(21,22)23)32-18(24)28-19/h5-6,8-9,14H,7H2,1-2,4H3,(H2,24,28)(H,27,30)/t14-,19-/m0/s1 IMYLDBAEJBMUTQ-LIRRHRJNSA-N 214955 US9296734, 150 Beta-secretase 1 Homo sapiens 10.1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221531 329965830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378168 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)nccc2c1 InChI=1S/C21H18F5N5O2/c1-32-13-6-11-4-5-28-18(17(11)29-9-13)30-12-2-3-15(23)14(7-12)20(10-22)8-16(21(24,25)26)33-19(27)31-20/h2-7,9,16H,8,10H2,1H3,(H2,27,31)(H,28,30)/t16-,20+/m0/s1 PPYQHFMHFSENLU-OXJNMPFZSA-N 214811 US9296734, 12 Beta-secretase 1 Homo sapiens 163 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373140 329965688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378169 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)ncnc2c1 InChI=1S/C20H17F5N6O2/c1-32-11-5-14-16(27-7-11)17(29-9-28-14)30-10-2-3-13(22)12(4-10)19(8-21)6-15(20(23,24)25)33-18(26)31-19/h2-5,7,9,15H,6,8H2,1H3,(H2,26,31)(H,28,29,30)/t15-,19+/m0/s1 YCEXVDPBJXUFCT-HNAYVOBHSA-N 214812 US9296734, 13 Beta-secretase 1 Homo sapiens 95.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373214 329965689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378170 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F6N5O3/c1-8-5-9(32-16(21)22)7-27-13(8)15(31)29-12-4-3-10(20)14(28-12)18(2)6-11(19(23,24)25)33-17(26)30-18/h3-5,7,11,16H,6H2,1-2H3,(H2,26,30)(H,28,29,31)/t11-,18-/m0/s1 BQDHJFDZJGFRGD-VOJFVSQTSA-N 214884 US9296734, 85 Beta-secretase 1 Homo sapiens 29.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372943 329965759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378171 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Br)cc2Cl)ccc1F InChI=1S/C17H13BrClF4N5O2/c1-16(5-10(17(21,22)23)30-15(24)28-16)13-9(20)2-3-11(26-13)27-14(29)12-8(19)4-7(18)6-25-12/h2-4,6,10H,5H2,1H3,(H2,24,28)(H,26,27,29)/t10-,16-/m0/s1 PSJPVNQAMAUNCL-QFYYESIMSA-N 214885 US9296734, 86 Beta-secretase 1 Homo sapiens 21.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372823 329965760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378172 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C19H16F4N6O3/c1-3-6-31-14-9-25-11(8-26-14)16(30)28-13-5-4-10(20)15(27-13)18(2)7-12(19(21,22)23)32-17(24)29-18/h1,4-5,8-9,12H,6-7H2,2H3,(H2,24,29)(H,27,28,30)/t12-,18-/m0/s1 IVYZSVSPKSDHAE-SGTLLEGYSA-N 214886 US9296734, 87 Beta-secretase 1 Homo sapiens 8.4 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372933 329965761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378173 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C21H18F4N4O3/c1-3-8-31-13-5-7-16(27-11-13)18(30)28-12-4-6-15(22)14(9-12)20(2)10-17(21(23,24)25)32-19(26)29-20/h1,4-7,9,11,17H,8,10H2,2H3,(H2,26,29)(H,28,30)/t17-,20-/m0/s1 AZZGFFZEMLXLBI-PXNSSMCTSA-N 214828 US9296734, 28 Beta-secretase 1 Homo sapiens 9.3 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373328 329965704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378174 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 InChI=1S/C19H13ClF5N3O2/c20-10-2-4-13-14(6-10)29-16(27-13)9-1-3-12(22)11(5-9)18(8-21)7-15(19(23,24)25)30-17(26)28-18/h1-6,15H,7-8H2,(H2,26,28)/t15-,18+/m0/s1 SBFYDEMGEKSXPD-MAUKXSAKSA-N 214906 US9296734, 105 Beta-secretase 1 Homo sapiens 2810 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86279476 329965781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378175 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16F5N3O/c1-2-3-12-6-14(10-27-9-12)13-4-5-16(22)15(7-13)19(11-21)8-17(20(23,24)25)29-18(26)28-19/h4-7,9-10,17H,8,11H2,1H3,(H2,26,28)/t17-,19+/m0/s1 DHWUQWORXAPEQU-PKOBYXMFSA-N 214905 US9296734, 104 Beta-secretase 1 Homo sapiens 1250 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732150 329965780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378176 C[Si](C)(C)C#Cc1ccc(cn1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H22F5N3OSi/c1-32(2,3)9-8-16-6-4-15(12-29-16)14-5-7-18(24)17(10-14)21(13-23)11-19(22(25,26)27)31-20(28)30-21/h4-7,10,12,19H,11,13H2,1-3H3,(H2,28,30)/t19-,21+/m0/s1 TXEXYNLIFRHREB-PZJWPPBQSA-N 214912 US9296734, 111 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732153 329965787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378177 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc(nc1)C#C InChI=1S/C19H14F5N3O/c1-2-13-5-3-12(9-26-13)11-4-6-15(21)14(7-11)18(10-20)8-16(19(22,23)24)28-17(25)27-18/h1,3-7,9,16H,8,10H2,(H2,25,27)/t16-,18+/m0/s1 IPSZDIRCXGMIKX-FUHWJXTLSA-N 214913 US9296734, 112 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732154 329965788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378178 CC#Cc1ccc(cn1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16F5N3O/c1-2-3-14-6-4-13(10-27-14)12-5-7-16(22)15(8-12)19(11-21)9-17(20(23,24)25)29-18(26)28-19/h4-8,10,17H,9,11H2,1H3,(H2,26,28)/t17-,19+/m0/s1 LNHBNRHZKHIMAL-PKOBYXMFSA-N 214914 US9296734, 113 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373311 329965789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378179 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ncc2cc(F)ccc2n1 InChI=1S/C20H14F6N4O/c21-9-19(7-16(20(24,25)26)31-18(27)30-19)13-6-10(1-3-14(13)23)17-28-8-11-5-12(22)2-4-15(11)29-17/h1-6,8,16H,7,9H2,(H2,27,30)/t16-,19+/m0/s1 LNKIBKDCFYGLFQ-QFBILLFUSA-N 214915 US9296734, 114 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372801 329965790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378180 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc2cc(F)ccc2n1 InChI=1S/C21H15F6N3O/c22-10-20(9-18(21(25,26)27)31-19(28)30-20)14-8-12(1-4-15(14)24)16-5-2-11-7-13(23)3-6-17(11)29-16/h1-8,18H,9-10H2,(H2,28,30)/t18-,20+/m0/s1 YILQIXUDHIWHLI-AZUAARDMSA-N 214917 US9296734, 116 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373268 329965792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378181 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc2ccc(F)cc2n1 InChI=1S/C21H15F6N3O/c22-10-20(9-18(21(25,26)27)31-19(28)30-20)14-7-12(2-5-15(14)24)16-6-3-11-1-4-13(23)8-17(11)29-16/h1-8,18H,9-10H2,(H2,28,30)/t18-,20+/m0/s1 UHSSQPZEAZMYFY-AZUAARDMSA-N 214918 US9296734, 117 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373074 329965793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378182 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nc3ccc(Cl)cc3o2)ccc1F InChI=1S/C19H15ClF4N4O2/c1-18(8-15(19(22,23)24)30-16(25)28-18)11-7-10(3-4-12(11)21)26-17-27-13-5-2-9(20)6-14(13)29-17/h2-7,15H,8H2,1H3,(H2,25,28)(H,26,27)/t15-,18-/m0/s1 UPLXDXPJVCXTNE-YJBOKZPZSA-N 214829 US9296734, 29 Beta-secretase 1 Homo sapiens 3010 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732124 329965705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378183 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1cncc(c1)-c1nnco1 InChI=1S/C19H14F5N5O2/c20-8-18(5-15(19(22,23)24)31-17(25)28-18)13-4-10(1-2-14(13)21)11-3-12(7-26-6-11)16-29-27-9-30-16/h1-4,6-7,9,15H,5,8H2,(H2,25,28)/t15-,18+/m0/s1 YYGUFYAAYKWHBT-MAUKXSAKSA-N 214919 US9296734, 118 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373258 329965794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378184 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nc3cc(Cl)ccc3o2)ccc1F InChI=1S/C19H15ClF4N4O2/c1-18(8-15(19(22,23)24)30-16(25)28-18)11-7-10(3-4-12(11)21)26-17-27-13-6-9(20)2-5-14(13)29-17/h2-7,15H,8H2,1H3,(H2,25,28)(H,26,27)/t15-,18-/m0/s1 HIVPMXQNVHLELJ-YJBOKZPZSA-N 214830 US9296734, 30 Beta-secretase 1 Homo sapiens 2880 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373205 329965706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378185 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncccc2F)ccc1F InChI=1S/C17H14F6N4O/c18-8-16(7-13(17(21,22)23)28-15(24)27-16)10-6-9(3-4-11(10)19)26-14-12(20)2-1-5-25-14/h1-6,13H,7-8H2,(H2,24,27)(H,25,26)/t13-,16+/m0/s1 GDUSNHCSCKNJDG-XJKSGUPXSA-N 214813 US9296734, 14 Beta-secretase 1 Homo sapiens 758 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372859 329965690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378186 COc1cccnc1Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17F5N4O2/c1-28-13-3-2-6-25-15(13)26-10-4-5-12(20)11(7-10)17(9-19)8-14(18(21,22)23)29-16(24)27-17/h2-7,14H,8-9H2,1H3,(H2,24,27)(H,25,26)/t14-,17+/m0/s1 ZRECHVBPKMGVMR-WMLDXEAASA-N 214814 US9296734, 15 Beta-secretase 1 Homo sapiens 122 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373428 329965691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378187 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2cc(Cl)ccn2)ccc1F InChI=1S/C17H14ClF5N4O/c18-9-3-4-25-14(5-9)26-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)27-16/h1-6,13H,7-8H2,(H2,24,27)(H,25,26)/t13-,16+/m0/s1 VISQHWDWNXZVRO-XJKSGUPXSA-N 214815 US9296734, 16 Beta-secretase 1 Homo sapiens 5820 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732156 329965692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378188 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ccnc(Br)c2)ccc1F InChI=1S/C17H14BrF5N4O/c18-14-6-10(3-4-25-14)26-9-1-2-12(20)11(5-9)16(8-19)7-13(17(21,22)23)28-15(24)27-16/h1-6,13H,7-8H2,(H2,24,27)(H,25,26)/t13-,16+/m0/s1 BFEJKLKXVPTLDJ-XJKSGUPXSA-N 214816 US9296734, 17 Beta-secretase 1 Homo sapiens 4340 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373053 329965693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378189 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2cc(ccn2)-c2ccccc2)ccc1F InChI=1S/C23H19F5N4O/c24-13-22(12-19(23(26,27)28)33-21(29)32-22)17-11-16(6-7-18(17)25)31-20-10-15(8-9-30-20)14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H2,29,32)(H,30,31)/t19-,22+/m0/s1 OMZLCNLYCYMZHV-SIKLNZKXSA-N 214916 US9296734, 115 Beta-secretase 1 Homo sapiens 3160 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732155 329965791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378190 CCCCOC(=O)C[C@](C)(N[S@](=O)C(C)(C)C)c1cc(Br)ccc1F InChI=1S/C18H27BrFNO3S/c1-6-7-10-24-16(22)12-18(5,21-25(23)17(2,3)4)14-11-13(19)8-9-15(14)20/h8-9,11,21H,6-7,10,12H2,1-5H3/t18-,25+/m0/s1 VBVGWYOJHMPSDI-AVRWGWEMSA-N 214825 US9296734, 100 Beta-secretase 1 Homo sapiens 3260 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221528 329965701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378191 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ccccn2)ccc1F InChI=1S/C17H14F5N3O2/c18-9-16(8-13(17(20,21)22)27-15(23)25-16)11-7-10(4-5-12(11)19)26-14-3-1-2-6-24-14/h1-7,13H,8-9H2,(H2,23,25)/t13-,16+/m0/s1 HKNKUOLXKSNPAZ-XJKSGUPXSA-N 214902 US9296734, 101 Beta-secretase 1 Homo sapiens 2110 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373220 329965777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378192 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ccnc(c2)C#N)ccc1F InChI=1S/C18H14F5N5O/c19-9-17(7-15(18(21,22)23)29-16(25)28-17)13-6-10(1-2-14(13)20)27-11-3-4-26-12(5-11)8-24/h1-6,15H,7,9H2,(H2,25,28)(H,26,27)/t15-,17+/m0/s1 JPFOYLHJDGSLGD-DOTOQJQBSA-N 214823 US9296734, 24 Beta-secretase 1 Homo sapiens 7000 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372857 329965699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378193 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H13ClF6N6O2/c1-15(4-8(16(21,22)23)31-14(24)27-15)11-7(18)2-3-9(25-11)26-12(30)10-6(17)5-29(28-10)13(19)20/h2-3,5,8,13H,4H2,1H3,(H2,24,27)(H,25,26,30)/t8-,15-/m0/s1 QULLJJPMSGZADZ-AYVTZFPOSA-N 214887 US9296734, 88 Beta-secretase 1 Homo sapiens 10 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86296218 329965762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378194 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C18H13ClF6N4O2/c19-8-3-12(22)14(27-6-8)15(30)28-9-1-2-11(21)10(4-9)17(7-20)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 UZHJMGZWQADGGB-SUMWQHHRSA-N 214834 US9296734, 34 Beta-secretase 1 Homo sapiens 42 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372960 329965710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378195 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H16F5N5O3/c1-2-5-32-16-9-27-14(8-28-16)17(31)29-11-3-4-13(22)12(6-11)19(10-21)7-15(20(23,24)25)33-18(26)30-19/h1,3-4,6,8-9,15H,5,7,10H2,(H2,26,30)(H,29,31)/t15-,19+/m0/s1 HJQKIZCMADWYMN-HNAYVOBHSA-N 214835 US9296734, 35 Beta-secretase 1 Homo sapiens 5.1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373092 329965711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378196 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H13ClF7N5O2/c18-9-5-30(14(21)22)29-12(9)13(31)27-7-1-2-10(20)8(3-7)16(6-19)4-11(17(23,24)25)32-15(26)28-16/h1-3,5,11,14H,4,6H2,(H2,26,28)(H,27,31)/t11-,16+/m0/s1 AJNKEIVJJYXWJM-MEDUHNTESA-N 214836 US9296734, 36 Beta-secretase 1 Homo sapiens 24 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71666140 329965712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378197 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C23H19F5N4O2/c24-12-22(10-19(23(26,27)28)34-21(29)32-22)16-9-15(6-7-17(16)25)31-20(33)18-8-5-14(11-30-18)4-3-13-1-2-13/h5-9,11,13,19H,1-2,10,12H2,(H2,29,32)(H,31,33)/t19-,22+/m0/s1 PIQHHBYCBNFASS-SIKLNZKXSA-N 214852 US9296734, 53 Beta-secretase 1 Homo sapiens 196 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732128 329965728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378089 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-30-14-7-25-12(6-26-14)15(29)27-9-2-3-11(20)10(4-9)17(8-19)5-13(18(21,22)23)31-16(24)28-17/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17+/m0/s1 BLNHQDSKCVQIOQ-SUMWQHHRSA-N 214801 US9296734, 2 Beta-secretase 1 Homo sapiens 32 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668202 329965678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378090 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-30-14-7-25-12(6-26-14)15(29)27-9-2-3-11(20)10(4-9)17(8-19)5-13(18(21,22)23)31-16(24)28-17/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m1/s1 BLNHQDSKCVQIOQ-CXAGYDPISA-N 214824 US9296734, 25 Beta-secretase 1 Homo sapiens 2370 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372856 329965700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378091 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF5N4O2/c19-9-1-4-13(26-7-9)15(29)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)30-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1 IDHAZTOESFWNSY-WMLDXEAASA-N 214802 US9296734, 3 Beta-secretase 1 Homo sapiens 32 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71667462 329965679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378092 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H15ClF5N5O/c21-11-5-10-3-4-28-17(16(10)29-8-11)30-12-1-2-14(23)13(6-12)19(9-22)7-15(20(24,25)26)32-18(27)31-19/h1-6,8,15H,7,9H2,(H2,27,31)(H,28,30)/t15-,19+/m0/s1 CCHOGVQCNCTVED-HNAYVOBHSA-N 214807 US9296734, 22::US9296734, 8 Beta-secretase 1 Homo sapiens 203 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732113 329965684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378093 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)nccc2n1 InChI=1S/C20H17F5N6O2/c1-32-15-8-28-16-13(30-15)4-5-27-17(16)29-10-2-3-12(22)11(6-10)19(9-21)7-14(20(23,24)25)33-18(26)31-19/h2-6,8,14H,7,9H2,1H3,(H2,26,31)(H,27,29)/t14-,19+/m0/s1 PCNDBEIQPLJGIC-IFXJQAMLSA-N 214808 US9296734, 9 Beta-secretase 1 Homo sapiens 372 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373087 329965685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378094 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O2/c1-9-4-10(20)7-27-15(9)16(30)28-11-2-3-13(22)12(5-11)18(8-21)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 GSHVOYWQLKOCLX-KBXCAEBGSA-N 214803 US9296734, 4 Beta-secretase 1 Homo sapiens 31 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732142 329965680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378095 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17ClF5N5O2/c1-10-17(30-16-5-2-11(22)8-32(10)16)18(33)29-12-3-4-14(24)13(6-12)20(9-23)7-15(21(25,26)27)34-19(28)31-20/h2-6,8,15H,7,9H2,1H3,(H2,28,31)(H,29,33)/t15-,20+/m0/s1 HCDBRYXKOZVMHM-MGPUTAFESA-N 214805 US9296734, 6 Beta-secretase 1 Homo sapiens 52.2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732111 329965682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378096 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C20H16F8N4O3/c21-8-18(6-15(20(26,27)28)35-17(29)32-18)12-5-10(1-3-13(12)22)31-16(33)14-4-2-11(7-30-14)34-9-19(23,24)25/h1-5,7,15H,6,8-9H2,(H2,29,32)(H,31,33)/t15-,18+/m0/s1 GXYRXKLMYVNONT-MAUKXSAKSA-N 214804 US9296734, 5 Beta-secretase 1 Homo sapiens 263 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668200 329965681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375787 CC1(COCC(N)=N1)c1cccc(Nc2nsc3cc(Br)ccc23)c1 InChI=1S/C18H17BrN4OS/c1-18(10-24-9-16(20)22-18)11-3-2-4-13(7-11)21-17-14-6-5-12(19)8-15(14)25-23-17/h2-8H,9-10H2,1H3,(H2,20,22)(H,21,23) IRNHZHZGEZSMNC-UHFFFAOYSA-N 213710 US9284284, 1 Beta-secretase 1 Homo sapiens 1500 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549811 329729228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375788 Cn1nc(Nc2cccc(c2)C2(C)COCC(N)=N2)c2ccc(Br)cc12 InChI=1S/C19H20BrN5O/c1-19(11-26-10-17(21)23-19)12-4-3-5-14(8-12)22-18-15-7-6-13(20)9-16(15)25(2)24-18/h3-9H,10-11H2,1-2H3,(H2,21,23)(H,22,24) ULLQWIFBVSWJHE-UHFFFAOYSA-N 213711 US9284284, 2 Beta-secretase 1 Homo sapiens 5200 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549812 329729229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375789 CC1(COCC(N)=N1)c1cccc(Nc2noc3ccccc23)c1 InChI=1S/C18H18N4O2/c1-18(11-23-10-16(19)21-18)12-5-4-6-13(9-12)20-17-14-7-2-3-8-15(14)24-22-17/h2-9H,10-11H2,1H3,(H2,19,21)(H,20,22) PHZPZMNFNUMKEH-UHFFFAOYSA-N 213712 US9284284, 3 Beta-secretase 1 Homo sapiens 8900 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549813 329729230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375790 CC1(COCC(N)=N1)c1cc(NCc2ccco2)ccc1F InChI=1S/C16H18FN3O2/c1-16(10-21-9-15(18)20-16)13-7-11(4-5-14(13)17)19-8-12-3-2-6-22-12/h2-7,19H,8-10H2,1H3,(H2,18,20) JLUMEQSFNWWCPP-UHFFFAOYSA-N 213713 US9284284, 4 Beta-secretase 1 Homo sapiens 1900 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549814 329729231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375791 NC1=NC(CF)(COC1)c1cc(NCc2ccc(Br)cc2Cl)ccc1F InChI=1S/C18H17BrClF2N3O/c19-12-2-1-11(15(20)5-12)7-24-13-3-4-16(22)14(6-13)18(9-21)10-26-8-17(23)25-18/h1-6,24H,7-10H2,(H2,23,25) WMBXACSSTBZEHH-UHFFFAOYSA-N 213714 US9284284, 5 Beta-secretase 1 Homo sapiens 3600 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549815 329729232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375792 NC1=NC(COC1)(C(F)F)c1cc(NCc2cc(Br)co2)ccc1F InChI=1S/C16H15BrF3N3O2/c17-9-3-11(25-6-9)5-22-10-1-2-13(18)12(4-10)16(15(19)20)8-24-7-14(21)23-16/h1-4,6,15,22H,5,7-8H2,(H2,21,23) CDLGKJBMNRHHIV-UHFFFAOYSA-N 213715 US9284284, 6 Beta-secretase 1 Homo sapiens 6200 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549950 329729233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375793 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C18H14ClF3N6O/c19-9-3-13-15(24-5-9)16(26-8-25-13)27-10-1-2-12(20)11(4-10)18(17(21)22)7-29-6-14(23)28-18/h1-5,8,17H,6-7H2,(H2,23,28)(H,25,26,27)/t18-/m0/s1 UMASOBCVAWOXNZ-SFHVURJKSA-N 213716 US9284284, 7 Beta-secretase 1 Homo sapiens 36 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549951 329729234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375794 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F InChI=1S/C19H15BrF3N5O/c20-11-5-10-3-4-25-17(16(10)26-7-11)27-12-1-2-14(21)13(6-12)19(18(22)23)9-29-8-15(24)28-19/h1-7,18H,8-9H2,(H2,24,28)(H,25,27)/t19-/m0/s1 PZBFITCCFKBBLL-IBGZPJMESA-N 213717 US9284284, 8 Beta-secretase 1 Homo sapiens 21 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549953 329729235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375795 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1 AYBCGPRPLJRSKE-FQEVSTJZSA-N 213718 US9284284, 9 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549952 329729236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375796 COCCOc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)nccc2c1 InChI=1S/C22H22F3N5O3/c1-31-6-7-33-15-8-13-4-5-27-20(19(13)28-10-15)29-14-2-3-17(23)16(9-14)22(21(24)25)12-32-11-18(26)30-22/h2-5,8-10,21H,6-7,11-12H2,1H3,(H2,26,30)(H,27,29)/t22-/m0/s1 VPJLMCOWNDPWKS-QFIPXVFZSA-N 213719 US9284284, 10 Beta-secretase 1 Homo sapiens 600 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549954 329729237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375797 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(OCCCl)cnc23)ccc1F InChI=1S/C21H19ClF3N5O2/c22-4-6-32-14-7-12-3-5-27-19(18(12)28-9-14)29-13-1-2-16(23)15(8-13)21(20(24)25)11-31-10-17(26)30-21/h1-3,5,7-9,20H,4,6,10-11H2,(H2,26,30)(H,27,29)/t21-/m0/s1 WKXJFKGDXFNTNH-NRFANRHFSA-N 213720 US9284284, 11 Beta-secretase 1 Homo sapiens 1900 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71549955 329729238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375798 Cc1cn2ccnc(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c2n1 InChI=1S/C18H17F3N6O/c1-10-7-27-5-4-23-15(16(27)24-10)25-11-2-3-13(19)12(6-11)18(17(20)21)9-28-8-14(22)26-18/h2-7,17H,8-9H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1 SVCVFKHLSFFKPD-SFHVURJKSA-N 213721 US9284284, 12 Beta-secretase 1 Homo sapiens 350 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550087 329729239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375799 CC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3ccnc23)ccc1F InChI=1S/C18H16F3N5O/c1-11-9-27-10-18(25-11,17(20)21)13-8-12(2-3-14(13)19)24-15-16-23-5-7-26(16)6-4-22-15/h2-8,17H,9-10H2,1H3,(H,22,24)/t18-/m0/s1 QWEPSFBIRVVVPL-SFHVURJKSA-N 213722 US9284284, 13 Beta-secretase 1 Homo sapiens 1400 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90394097 329729240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375800 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3c(Br)cnc23)ccc1F InChI=1S/C17H14BrF3N6O/c18-12-6-24-15-14(23-3-4-27(12)15)25-9-1-2-11(19)10(5-9)17(16(20)21)8-28-7-13(22)26-17/h1-6,16H,7-8H2,(H2,22,26)(H,23,25)/t17-/m0/s1 BJZKNBJZMFMEOE-KRWDZBQOSA-N 213723 US9284284, 14 Beta-secretase 1 Homo sapiens 570 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550089 329729241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375801 COc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C17H17F3N4O2/c1-25-13-3-2-6-22-15(13)23-10-4-5-12(18)11(7-10)17(16(19)20)9-26-8-14(21)24-17/h2-7,16H,8-9H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1 XJJGBQFMBPQWRK-KRWDZBQOSA-N 213724 US9284284, 15 Beta-secretase 1 Homo sapiens 300 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550090 329729242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375802 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccn2)ccc1F InChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1 FBODVRNZZXUAQO-HNNXBMFYSA-N 213725 US9284284, 16 Beta-secretase 1 Homo sapiens 8600 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550091 329729243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375803 COc1ccnc(Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)n1 InChI=1S/C16H16F3N5O2/c1-25-13-4-5-21-15(23-13)22-9-2-3-11(17)10(6-9)16(14(18)19)8-26-7-12(20)24-16/h2-6,14H,7-8H2,1H3,(H2,20,24)(H,21,22,23)/t16-/m0/s1 ZVVHGCHZVFJFGH-INIZCTEOSA-N 213726 US9284284, 17 Beta-secretase 1 Homo sapiens 1800 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550092 329729244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375804 COc1nccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H16F3N5O2/c1-25-14-13(21-4-5-22-14)23-9-2-3-11(17)10(6-9)16(15(18)19)8-26-7-12(20)24-16/h2-6,15H,7-8H2,1H3,(H2,20,24)(H,21,23)/t16-/m0/s1 FOXRQWMEUJAVSI-INIZCTEOSA-N 213727 US9284284, 18 Beta-secretase 1 Homo sapiens 2400 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550093 329729245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375805 CCOc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C18H19F3N4O2/c1-2-27-14-4-3-7-23-16(14)24-11-5-6-13(19)12(8-11)18(17(20)21)10-26-9-15(22)25-18/h3-8,17H,2,9-10H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1 DXSUWZXOEJTTEK-SFHVURJKSA-N 213728 US9284284, 19 Beta-secretase 1 Homo sapiens 1300 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550219 329729246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375806 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OCC(F)F)ccc1F InChI=1S/C18H17F5N4O2/c19-12-4-3-10(26-16-13(2-1-5-25-16)29-7-14(20)21)6-11(12)18(17(22)23)9-28-8-15(24)27-18/h1-6,14,17H,7-9H2,(H2,24,27)(H,25,26)/t18-/m0/s1 CIKVIYFCFMSDCC-SFHVURJKSA-N 213729 US9284284, 20 Beta-secretase 1 Homo sapiens 1300 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550507 329729247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375807 COc1cncnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C16H16F3N5O2/c1-25-12-5-21-8-22-14(12)23-9-2-3-11(17)10(4-9)16(15(18)19)7-26-6-13(20)24-16/h2-5,8,15H,6-7H2,1H3,(H2,20,24)(H,21,22,23)/t16-/m0/s1 UUWNFSRJFSYNFG-INIZCTEOSA-N 213730 US9284284, 21 Beta-secretase 1 Homo sapiens 1500 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550220 329729248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375808 NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OC(F)F)ccc1F InChI=1S/C17H15F5N4O2/c18-11-4-3-9(25-14-12(28-16(21)22)2-1-5-24-14)6-10(11)17(15(19)20)8-27-7-13(23)26-17/h1-6,15-16H,7-8H2,(H2,23,26)(H,24,25)/t17-/m0/s1 DIRLKEDRYQRESC-KRWDZBQOSA-N 213731 US9284284, 22 Beta-secretase 1 Homo sapiens 970 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550368 329729249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375809 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C20H17ClF4N6O/c1-18(8-32-19(2,17(26)31-18)20(23,24)25)12-6-11(3-4-13(12)22)30-16-15-14(28-9-29-16)5-10(21)7-27-15/h3-7,9H,8H2,1-2H3,(H2,26,31)(H,28,29,30)/t18-,19+/m0/s1 UKTPFPDAFCJVOO-RBUKOAKNSA-N 213732 US9284284, 23 Beta-secretase 1 Homo sapiens 40 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550221 329729250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375810 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F InChI=1S/C21H17F7N6O/c1-18(8-35-19(2,17(29)34-18)21(26,27)28)12-6-11(3-4-13(12)22)33-16-15-14(31-9-32-16)5-10(7-30-15)20(23,24)25/h3-7,9H,8H2,1-2H3,(H2,29,34)(H,31,32,33)/t18-,19+/m0/s1 YVWNIBGRPWQPFV-RBUKOAKNSA-N 213733 US9284284, 24 Beta-secretase 1 Homo sapiens 83 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550222 329729251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375811 COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)12-9-11(6-7-13(12)20)26-15-14(28-3)5-4-8-25-15/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1 QYOZAFLHUMEJQT-ZWKOTPCHSA-N 213734 US9284284, 25 Beta-secretase 1 Homo sapiens 210 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550223 329729252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375812 COc1cc(cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)[N+]([O-])=O InChI=1S/C17H16F3N5O4/c1-28-13-5-10(25(26)27)6-22-15(13)23-9-2-3-12(18)11(4-9)17(16(19)20)8-29-7-14(21)24-17/h2-6,16H,7-8H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1 MALBXUIZEBZONF-KRWDZBQOSA-N 213735 US9284284, 26 Beta-secretase 1 Homo sapiens 2900 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550224 329729253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375813 COc1cc(N)cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F InChI=1S/C17H18F3N5O2/c1-26-13-4-9(21)6-23-15(13)24-10-2-3-12(18)11(5-10)17(16(19)20)8-27-7-14(22)25-17/h2-6,16H,7-8,21H2,1H3,(H2,22,25)(H,23,24)/t17-/m0/s1 BULJFAPFXZXMNJ-KRWDZBQOSA-N 213736 US9284284, 27 Beta-secretase 1 Homo sapiens 3000 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550508 329729254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375814 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H16F7N7O/c1-17(7-35-18(2,16(28)34-17)20(25,26)27)14-10(21)3-4-12(32-14)33-15-13-11(30-8-31-15)5-9(6-29-13)19(22,23)24/h3-6,8H,7H2,1-2H3,(H2,28,34)(H,30,31,32,33)/t17-,18+/m0/s1 NTKVVULXBBNHFM-ZWKOTPCHSA-N 213737 US9284284, 28 Beta-secretase 1 Homo sapiens 68 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550363 329729255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375815 COc1ccccc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)15-11(20)8-9-14(26-15)25-12-6-4-5-7-13(12)28-3/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1 OCCFUDYHZHVICL-ZWKOTPCHSA-N 213738 US9284284, 29 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550364 329729256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375816 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncccc2C#N)ccc1F InChI=1S/C18H16F4N6O/c1-16(9-29-17(2,15(24)28-16)18(20,21)22)13-11(19)5-6-12(26-13)27-14-10(8-23)4-3-7-25-14/h3-7H,9H2,1-2H3,(H2,24,28)(H,25,26,27)/t16-,17+/m0/s1 RNILDPYSUMNZGG-DLBZAZTESA-N 213739 US9284284, 30 Beta-secretase 1 Homo sapiens 1500 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550365 329729257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375817 COc1cccnc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C18H19F4N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)13-10(19)6-7-12(25-13)26-14-11(28-3)5-4-8-24-14/h4-8H,9H2,1-3H3,(H2,23,27)(H,24,25,26)/t16-,17+/m0/s1 MLQXAUFWLNAFMN-DLBZAZTESA-N 213740 US9284284, 31 Beta-secretase 1 Homo sapiens 6400 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550366 329729258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 375818 Cn1nc(Nc2cccc(c2)[C@]2(C)COCC(N)=N2)c2ccccc12 InChI=1S/C19H21N5O/c1-19(12-25-11-17(20)22-19)13-6-5-7-14(10-13)21-18-15-8-3-4-9-16(15)24(2)23-18/h3-10H,11-12H2,1-2H3,(H2,20,22)(H,21,23)/t19-/m0/s1 LOEXEBKBXGBOKS-IBGZPJMESA-N 213741 US9284284, 32 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q25D8QP0 aid1802412 US9284284 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550367 329729259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378198 Cc1cc(OCC2CC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C23H23F5N4O3/c1-12-6-15(34-10-13-2-3-13)9-30-19(12)20(33)31-14-4-5-17(25)16(7-14)22(11-24)8-18(23(26,27)28)35-21(29)32-22/h4-7,9,13,18H,2-3,8,10-11H2,1H3,(H2,29,32)(H,31,33)/t18-,22+/m0/s1 WXNCHWJYOUAHGQ-PGRDOPGGSA-N 214837 US9296734, 37 Beta-secretase 1 Homo sapiens 487 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373221 329965713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378199 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F8N5O3/c1-9-15(30-6-14(31-9)35-8-19(23,24)25)16(34)32-10-2-3-12(22)11(4-10)18(7-21)5-13(20(26,27)28)36-17(29)33-18/h2-4,6,13H,5,7-8H2,1H3,(H2,29,33)(H,32,34)/t13-,18+/m0/s1 ODHABBQDVVKTQC-SCLBCKFNSA-N 214838 US9296734, 38 Beta-secretase 1 Homo sapiens 325 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373296 329965714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378200 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O3/c1-2-3-6-33-17-10-28-15(9-29-17)18(32)30-12-4-5-14(23)13(7-12)20(11-22)8-16(21(24,25)26)34-19(27)31-20/h4-5,7,9-10,16H,6,8,11H2,1H3,(H2,27,31)(H,30,32)/t16-,20+/m0/s1 ZQRUMCHTMHCZNJ-OXJNMPFZSA-N 214839 US9296734, 39 Beta-secretase 1 Homo sapiens 3.2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71666292 329965715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378201 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)F)ccc1F InChI=1S/C19H14ClF7N4O2/c20-11-3-8(15(23)24)6-29-14(11)16(32)30-9-1-2-12(22)10(4-9)18(7-21)5-13(19(25,26)27)33-17(28)31-18/h1-4,6,13,15H,5,7H2,(H2,28,31)(H,30,32)/t13-,18+/m0/s1 PLNJNRADWOMKFK-SCLBCKFNSA-N 214840 US9296734, 40 Beta-secretase 1 Homo sapiens 105 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372778 329965716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378202 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F InChI=1S/C19H15F7N4O2/c20-8-18(6-14(19(24,25)26)32-17(27)30-18)11-5-10(2-3-12(11)21)29-16(31)13-4-1-9(7-28-13)15(22)23/h1-5,7,14-15H,6,8H2,(H2,27,30)(H,29,31)/t14-,18+/m0/s1 ZCQVZHCVHQSLIL-KBXCAEBGSA-N 214841 US9296734, 41 Beta-secretase 1 Homo sapiens 88 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668199 329965717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378203 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F7N4O3/c1-9-4-11(33-17(23)24)7-29-15(9)16(32)30-10-2-3-13(22)12(5-10)19(8-21)6-14(20(25,26)27)34-18(28)31-19/h2-5,7,14,17H,6,8H2,1H3,(H2,28,31)(H,30,32)/t14-,19+/m0/s1 NZEODUFKKLRLJY-IFXJQAMLSA-N 214842 US9296734, 42 Beta-secretase 1 Homo sapiens 51 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372938 329965718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378204 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H13ClF8N4O2/c20-11-3-8(18(23,24)25)6-30-14(11)15(33)31-9-1-2-12(22)10(4-9)17(7-21)5-13(19(26,27)28)34-16(29)32-17/h1-4,6,13H,5,7H2,(H2,29,32)(H,31,33)/t13-,17+/m0/s1 NPEULXQYTNVDQM-SUMWQHHRSA-N 214843 US9296734, 44 Beta-secretase 1 Homo sapiens 88 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373024 329965719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378205 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H14F8N6O/c21-8-18(6-14(20(26,27)28)35-17(29)34-18)10-5-9(1-2-11(10)22)32-16-15-12(3-4-30-16)33-13(7-31-15)19(23,24)25/h1-5,7,14H,6,8H2,(H2,29,34)(H,30,32)/t14-,18+/m0/s1 IURFYSRDINCJOH-KBXCAEBGSA-N 214817 US9296734, 18 Beta-secretase 1 Homo sapiens 336 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373123 329965694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378206 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F InChI=1S/C20H14ClF6N5O/c21-9-3-11-14(24)7-30-17(16(11)29-6-9)31-10-1-2-13(23)12(4-10)19(8-22)5-15(20(25,26)27)33-18(28)32-19/h1-4,6-7,15H,5,8H2,(H2,28,32)(H,30,31)/t15-,19+/m0/s1 JHWNFAOXAHDKHT-HNAYVOBHSA-N 214818 US9296734, 19 Beta-secretase 1 Homo sapiens 552 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372925 329965695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378207 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H19F6N5O/c26-12-24(9-20(25(29,30)31)37-23(32)36-24)17-8-15(5-6-18(17)27)35-22-21-16(19(28)11-34-22)7-14(10-33-21)4-3-13-1-2-13/h5-8,10-11,13,20H,1-2,9,12H2,(H2,32,36)(H,34,35)/t20-,24+/m0/s1 NFBLCWCDSNPHRU-GBXCKJPGSA-N 214853 US9296734, 54 Beta-secretase 1 Homo sapiens 2330 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380057 329965729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378208 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H20F5N5O/c26-13-24(11-20(25(28,29)30)36-23(31)35-24)18-10-17(5-6-19(18)27)34-22-21-16(7-8-32-22)9-15(12-33-21)4-3-14-1-2-14/h5-10,12,14,20H,1-2,11,13H2,(H2,31,35)(H,32,34)/t20-,24+/m0/s1 ZQMBZFBSBQLNJQ-GBXCKJPGSA-N 214854 US9296734, 55 Beta-secretase 1 Homo sapiens 1020 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373138 329965730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378209 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cn(nc23)C(F)F)ccc1F InChI=1S/C19H15F7N6O/c20-8-18(6-13(19(24,25)26)33-17(27)30-18)11-5-10(1-2-12(11)21)29-15-14-9(3-4-28-15)7-32(31-14)16(22)23/h1-5,7,13,16H,6,8H2,(H2,27,30)(H,28,29)/t13-,18+/m0/s1 XTXNGKARNCUBIT-SCLBCKFNSA-N 214819 US9296734, 20 Beta-secretase 1 Homo sapiens 10600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372847 329965696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378210 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C21H17F5N6O4/c22-10-20(6-15(21(24,25)26)36-19(27)32-20)12-5-11(1-2-13(12)23)31-18(33)14-7-30-16(8-29-14)35-9-17-28-3-4-34-17/h1-5,7-8,15H,6,9-10H2,(H2,27,32)(H,31,33)/t15-,20+/m0/s1 NMMJHDIUOMFUHW-MGPUTAFESA-N 214845 US9296734, 46 Beta-secretase 1 Homo sapiens 19 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372802 329965721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378211 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F5N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1 BAVHIXAGHWHFIZ-LIRRHRJNSA-N 214997 US9296734, 190 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373309 329965868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378212 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C(=O)NC1CC1 InChI=1S/C16H16F5N3O2/c17-7-15(6-12(16(19,20)21)26-14(22)24-15)10-5-8(1-4-11(10)18)13(25)23-9-2-3-9/h1,4-5,9,12H,2-3,6-7H2,(H2,22,24)(H,23,25)/t12-,15+/m0/s1 JWRXCQVVSVKPKE-SWLSCSKDSA-N 214989 US9296734, 182 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373219 329965862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378213 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3sc(nc23)C(F)F)ccc1F InChI=1S/C18H13F7N6OS/c19-5-17(4-10(18(23,24)25)32-16(26)31-17)8-3-7(1-2-9(8)20)29-13-11-14(28-6-27-13)33-15(30-11)12(21)22/h1-3,6,10,12H,4-5H2,(H2,26,31)(H,27,28,29)/t10-,17+/m0/s1 QBDINLOBCUJFMN-DYZYQPBXSA-N 214820 US9296734, 21 Beta-secretase 1 Homo sapiens 506 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373222 329965697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378214 COC1CCN(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H24F4N4O3/c1-18(10-15(19(21,22)23)30-16(24)26-18)13-9-11(3-4-14(13)20)25-17(28)27-7-5-12(29-2)6-8-27/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,24,26)(H,25,28)/t15-,18-/m0/s1 VAIOWIBYRXKPBX-YJBOKZPZSA-N 214920 US9296734, 119 Beta-secretase 1 Homo sapiens 2080 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732158 329965795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378215 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)OCC#C)ccc1F InChI=1S/C21H24F4N4O3/c1-3-10-31-14-6-8-29(9-7-14)19(30)27-13-4-5-16(22)15(11-13)20(2)12-17(21(23,24)25)32-18(26)28-20/h1,4-5,11,14,17H,6-10,12H2,2H3,(H2,26,28)(H,27,30)/t17-,20-/m0/s1 BJPMPGYEQJMIBY-PXNSSMCTSA-N 214921 US9296734, 120 Beta-secretase 1 Homo sapiens 1140 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372991 329965796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378216 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCc3ccccc3C2)ccc1F InChI=1S/C22H22F4N4O2/c1-21(11-18(22(24,25)26)32-19(27)29-21)16-10-15(6-7-17(16)23)28-20(31)30-9-8-13-4-2-3-5-14(13)12-30/h2-7,10,18H,8-9,11-12H2,1H3,(H2,27,29)(H,28,31)/t18-,21-/m0/s1 WVRXWZDCCAXIHV-RXVVDRJESA-N 214922 US9296734, 121 Beta-secretase 1 Homo sapiens 687 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372828 329965797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378217 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)C(F)F)ccc1F InChI=1S/C19H22F6N4O2/c1-18(9-14(19(23,24)25)31-16(26)28-18)12-8-11(2-3-13(12)20)27-17(30)29-6-4-10(5-7-29)15(21)22/h2-3,8,10,14-15H,4-7,9H2,1H3,(H2,26,28)(H,27,30)/t14-,18-/m0/s1 VXTHXAFTWHFRJL-KSSFIOAISA-N 214923 US9296734, 122 Beta-secretase 1 Homo sapiens 826 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372860 329965798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378218 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC=CC2)ccc1F InChI=1S/C18H20F4N4O2/c1-17(10-14(18(20,21)22)28-15(23)25-17)12-9-11(5-6-13(12)19)24-16(27)26-7-3-2-4-8-26/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H2,23,25)(H,24,27)/t14-,17-/m0/s1 FUSXNZWCAWAAIL-YOEHRIQHSA-N 214924 US9296734, 123 Beta-secretase 1 Homo sapiens 908 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373375 329965799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378219 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(=CC2)C#CC2CC2)ccc1F InChI=1S/C23H24F4N4O2/c1-22(13-19(23(25,26)27)33-20(28)30-22)17-12-16(6-7-18(17)24)29-21(32)31-10-8-15(9-11-31)5-4-14-2-3-14/h6-8,12,14,19H,2-3,9-11,13H2,1H3,(H2,28,30)(H,29,32)/t19-,22-/m0/s1 BZKSFWQFKKJRJY-UGKGYDQZSA-N 214925 US9296734, 124 Beta-secretase 1 Homo sapiens 525 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372844 329965800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378220 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 InChI=1S/C18H16ClF4N5O3/c1-17(6-11(18(21,22)23)31-16(24)28-17)14-10(20)3-4-12(26-14)27-15(29)13-9(19)5-8(30-2)7-25-13/h3-5,7,11H,6H2,1-2H3,(H2,24,28)(H,26,27,29)/t11-,17-/m0/s1 JPBZAFYFPRSQGL-GTNSWQLSSA-N 214879 US9296734, 80 Beta-secretase 1 Homo sapiens 51 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373241 329965754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378221 NC1=NC(C[C@H](O1)C(F)(F)F)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H13ClF6N4O2/c19-8-1-4-12(27-7-8)14(30)28-9-2-3-11(20)10(5-9)17(15(21)22)6-13(18(23,24)25)31-16(26)29-17/h1-5,7,13,15H,6H2,(H2,26,29)(H,28,30)/t13-,17?/m0/s1 KBBIFDWOKVWATN-CWQZNGJJSA-N 214935 US9296734, 134 Beta-secretase 1 Homo sapiens 55 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221529 329965810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378222 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H12ClF7N6O2/c17-6-4-30(13(20)21)29-10(6)12(31)27-9-2-1-7(19)11(26-9)15(5-18)3-8(16(22,23)24)32-14(25)28-15/h1-2,4,8,13H,3,5H2,(H2,25,28)(H,26,27,31)/t8-,15+/m0/s1 KWVDGCQFUZMFKY-VXJOIVPMSA-N 214937 US9296734, 135 Beta-secretase 1 Homo sapiens 31 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322076 329965812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378223 CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](C)(C[C@H](O1)C(F)(F)F)c1cc(Br)cnc1F InChI=1S/C23H22BrF4N3O4/c1-21(2,3)35-20(33)31(18(32)13-8-6-5-7-9-13)19-30-22(4,11-16(34-19)23(26,27)28)15-10-14(24)12-29-17(15)25/h5-10,12,16H,11H2,1-4H3/t16-,22-/m0/s1 UUZWHMNPDWIYBW-AOMKIAJQSA-N 214859 US9296734, 136 Beta-secretase 1 Homo sapiens 132 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732129 329965734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378224 COc1cnc(cn1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C17H16F4N6O3/c1-16(4-11(17(19,20)21)30-15(22)27-16)9-3-8(5-25-13(9)18)26-14(28)10-6-24-12(29-2)7-23-10/h3,5-7,11H,4H2,1-2H3,(H2,22,27)(H,26,28)/t11-,16-/m0/s1 JTQMFDWBJLBTFV-ZBEGNZNMSA-N 214869 US9296734, 70 Beta-secretase 1 Homo sapiens 31 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372971 329965744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378225 COc1ccc(nc1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17F4N5O3/c1-17(6-13(18(20,21)22)30-16(23)27-17)11-5-9(7-25-14(11)19)26-15(28)12-4-3-10(29-2)8-24-12/h3-5,7-8,13H,6H2,1-2H3,(H2,23,27)(H,26,28)/t13-,17-/m0/s1 FLWXUGDYFSVDDG-GUYCJALGSA-N 214862 US9296734, 63 Beta-secretase 1 Homo sapiens 24 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373127 329965737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378226 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)cnc1F InChI=1S/C17H14F5N5O2/c1-16(5-12(17(20,21)22)29-15(23)27-16)10-4-9(7-25-13(10)19)26-14(28)11-3-2-8(18)6-24-11/h2-4,6-7,12H,5H2,1H3,(H2,23,27)(H,26,28)/t12-,16-/m0/s1 AOLJGWNKLPFUQF-LRDDRELGSA-N 214863 US9296734, 64 Beta-secretase 1 Homo sapiens 38 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372851 329965738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378227 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cnc1F InChI=1S/C19H16F7N5O3/c1-17(5-13(19(24,25)26)34-16(27)31-17)11-4-9(6-29-14(11)20)30-15(32)12-3-2-10(7-28-12)33-8-18(21,22)23/h2-4,6-7,13H,5,8H2,1H3,(H2,27,31)(H,30,32)/t13-,17-/m0/s1 LXQNZSAYQWYOSE-GUYCJALGSA-N 214864 US9296734, 65 Beta-secretase 1 Homo sapiens 124 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373216 329965739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378228 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H17F5N4O3/c1-3-6-32-12-4-5-15(28-10-12)18(31)29-11-7-13(17(23)14(22)8-11)20(2)9-16(21(24,25)26)33-19(27)30-20/h1,4-5,7-8,10,16H,6,9H2,2H3,(H2,27,30)(H,29,31)/t16-,20-/m0/s1 IVLBKNZKOKOKBT-JXFKEZNVSA-N 214999 US9296734, 192 Beta-secretase 1 Homo sapiens 75 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372809 329965870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378229 CC(C)n1cc(Cl)c(n1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H19ClF4N6O2/c1-8(2)29-7-11(19)13(28-29)15(30)26-9-4-10(14(20)25-6-9)17(3)5-12(18(21,22)23)31-16(24)27-17/h4,6-8,12H,5H2,1-3H3,(H2,24,27)(H,26,30)/t12-,17-/m0/s1 SNRWOCPTNOGWCY-SJCJKPOMSA-N 214870 US9296734, 71 Beta-secretase 1 Homo sapiens 5140 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373233 329965745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378230 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cnc1F InChI=1S/C16H13ClF6N6O2/c1-15(3-9(16(21,22)23)31-14(24)27-15)7-2-6(4-25-11(7)18)26-12(30)10-8(17)5-29(28-10)13(19)20/h2,4-5,9,13H,3H2,1H3,(H2,24,27)(H,26,30)/t9-,15-/m0/s1 VJJOURSDKWNMOD-VFZGTOFNSA-N 214871 US9296734, 72 Beta-secretase 1 Homo sapiens 31 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322384 329965746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378231 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H13F6N5O2/c1-27-9-2-3-13(28-7-9)16(31)29-10-4-11(15(22)12(21)5-10)18(8-20)6-14(19(23,24)25)32-17(26)30-18/h2-5,7,14H,6,8H2,(H2,26,30)(H,29,31)/t14-,18+/m0/s1 WWEZNTGCKLTDTB-KBXCAEBGSA-N 214957 US9296734, 151 Beta-secretase 1 Homo sapiens 78 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221532 329965832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378232 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H13ClF6N4O2/c19-8-1-2-12(27-6-8)15(30)28-9-3-10(14(22)11(21)4-9)17(7-20)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 LKJAOKBSWHVMOZ-SUMWQHHRSA-N 214958 US9296734, 152 Beta-secretase 1 Homo sapiens 87 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372917 329965833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378233 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H15F6N5O3/c1-31-13-6-26-11(5-27-13)15(30)28-8-2-9(14(21)10(20)3-8)17(7-19)4-12(18(22,23)24)32-16(25)29-17/h2-3,5-6,12H,4,7H2,1H3,(H2,25,29)(H,28,30)/t12-,17+/m0/s1 DUUQRTIHQFRRGG-YVEFUNNKSA-N 214959 US9296734, 153 Beta-secretase 1 Homo sapiens 126 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372957 329965834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378234 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H13F6N5O2/c1-27-9-2-3-13(28-7-9)16(31)29-10-4-11(15(22)12(21)5-10)18(8-20)6-14(19(23,24)25)32-17(26)30-18/h2-5,7,14H,6,8H2,(H2,26,30)(H,29,31)/t14-,18+/m0/s1 WWEZNTGCKLTDTB-KBXCAEBGSA-N 214957 US9296734, 151 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221532 329965832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378235 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H15F6N5O3/c1-2-3-33-15-8-28-13(7-29-15)17(32)30-10-4-11(16(23)12(22)5-10)19(9-21)6-14(20(24,25)26)34-18(27)31-19/h1,4-5,7-8,14H,3,6,9H2,(H2,27,31)(H,30,32)/t14-,19+/m0/s1 RBGBTWHAFLDYKK-IFXJQAMLSA-N 214960 US9296734, 154 Beta-secretase 1 Homo sapiens 9.6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322386 329965835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378236 CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17F6N5O3/c1-2-3-4-34-16-9-29-14(8-30-16)18(33)31-11-5-12(17(24)13(23)6-11)20(10-22)7-15(21(25,26)27)35-19(28)32-20/h5-6,8-9,15H,4,7,10H2,1H3,(H2,28,32)(H,31,33)/t15-,20+/m0/s1 ABNNLCLVBNJIHE-MGPUTAFESA-N 214961 US9296734, 155 Beta-secretase 1 Homo sapiens 3.67 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322385 329965836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378237 CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](C)(C[C@H](O1)C(F)(F)F)c1nc(Br)ccc1F InChI=1S/C23H22BrF4N3O4/c1-21(2,3)35-20(33)31(18(32)13-8-6-5-7-9-13)19-30-22(4,12-15(34-19)23(26,27)28)17-14(25)10-11-16(24)29-17/h5-11,15H,12H2,1-4H3/t15-,22-/m0/s1 QOOQHMTUMGFXEJ-NYHFZMIOSA-N 214878 US9296734, 156 Beta-secretase 1 Homo sapiens 123 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373025 329965753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378238 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H13BrF6N4O2/c19-8-1-2-12(27-6-8)15(30)28-9-3-10(14(22)11(21)4-9)17(7-20)5-13(18(23,24)25)31-16(26)29-17/h1-4,6,13H,5,7H2,(H2,26,29)(H,28,30)/t13-,17+/m0/s1 GTOZMJXAAXGVCP-SUMWQHHRSA-N 214963 US9296734, 157 Beta-secretase 1 Homo sapiens 81 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732231 329965838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378239 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H16F6N4O3/c1-2-5-33-12-3-4-15(29-9-12)18(32)30-11-6-13(17(24)14(23)7-11)20(10-22)8-16(21(25,26)27)34-19(28)31-20/h1,3-4,6-7,9,16H,5,8,10H2,(H2,28,31)(H,30,32)/t16-,20+/m0/s1 GYJSKKAYNGWACC-OXJNMPFZSA-N 214965 US9296734, 159 Beta-secretase 1 Homo sapiens 93 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322387 329965840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378240 CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H18F6N4O3/c1-2-3-6-34-13-4-5-16(30-10-13)19(33)31-12-7-14(18(25)15(24)8-12)21(11-23)9-17(22(26,27)28)35-20(29)32-21/h4-5,7-8,10,17H,6,9,11H2,1H3,(H2,29,32)(H,31,33)/t17-,21+/m0/s1 BWAGQZRQEBCFMS-LAUBAEHRSA-N 214966 US9296734, 160 Beta-secretase 1 Homo sapiens 21 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322704 329965841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378241 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H14ClF6N5O/c21-10-3-9-1-2-29-17(16(9)30-7-10)31-11-4-12(15(24)13(23)5-11)19(8-22)6-14(20(25,26)27)33-18(28)32-19/h1-5,7,14H,6,8H2,(H2,28,32)(H,29,31)/t14-,19+/m0/s1 TVJLCQMCGCIIEQ-IFXJQAMLSA-N 214967 US9296734, 161 Beta-secretase 1 Homo sapiens 535 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372805 329965842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378242 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H14F6N6O/c22-9-20(6-15(21(25,26)27)34-19(29)33-20)13-4-12(5-14(23)16(13)24)32-18-17-11(1-2-30-18)3-10(7-28)8-31-17/h1-5,8,15H,6,9H2,(H2,29,33)(H,30,32)/t15-,20+/m0/s1 RFMIJNWLSHTMCQ-MGPUTAFESA-N 214968 US9296734, 162 Beta-secretase 1 Homo sapiens 271 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372948 329965843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378243 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)cc(F)c1F InChI=1S/C23H18F6N4O2/c24-11-22(9-18(23(27,28)29)35-21(30)33-22)15-7-14(8-16(25)19(15)26)32-20(34)17-6-5-13(10-31-17)4-3-12-1-2-12/h5-8,10,12,18H,1-2,9,11H2,(H2,30,33)(H,32,34)/t18-,22+/m0/s1 LMQKUKVSRBPYRO-PGRDOPGGSA-N 214964 US9296734, 158 Beta-secretase 1 Homo sapiens 379 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732230 329965839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378244 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H14F5N5O2/c1-18(7-14(19(22,23)24)31-17(25)29-18)11-5-10(6-12(20)15(11)21)28-16(30)13-4-3-9(26-2)8-27-13/h3-6,8,14H,7H2,1H3,(H2,25,29)(H,28,30)/t14-,18-/m0/s1 VWEJPIJCLODAAQ-KSSFIOAISA-N 214970 US9296734, 163 Beta-secretase 1 Homo sapiens 2.8 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221533 329965844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378245 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF5N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 BISIHUNURPYIFU-GUYCJALGSA-N 214971 US9296734, 164 Beta-secretase 1 Homo sapiens 5.2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322705 329965845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378246 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16F5N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(19)14(9)20)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 NBFXBDBSLJNUCE-SJCJKPOMSA-N 214972 US9296734, 165 Beta-secretase 1 Homo sapiens 9.8 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322706 329965846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378247 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O2/c1-9-3-10(7-26)8-28-16(9)17(31)29-11-4-12(15(22)13(21)5-11)19(2)6-14(20(23,24)25)32-18(27)30-19/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 SPAJVRVAEDJRFN-LIRRHRJNSA-N 214973 US9296734, 166 Beta-secretase 1 Homo sapiens 6.8 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322707 329965847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378248 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(F)c1F InChI=1S/C19H13ClF5N5O2/c1-18(5-13(19(23,24)25)32-17(27)30-18)10-3-9(4-12(21)14(10)22)29-16(31)15-11(20)2-8(6-26)7-28-15/h2-4,7,13H,5H2,1H3,(H2,27,30)(H,29,31)/t13-,18-/m0/s1 QEPXCKWQQACKKF-UGSOOPFHSA-N 214974 US9296734, 167 Beta-secretase 1 Homo sapiens 5.7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78322708 329965848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378249 COc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O3/c1-19(6-14(20(23,24)25)33-18(27)30-19)11-4-10(5-12(21)15(11)22)29-17(31)16-13(32-2)3-9(7-26)8-28-16/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 VKYSOWBJISLWOU-LIRRHRJNSA-N 214975 US9296734, 168 Beta-secretase 1 Homo sapiens 6.1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373088 329965849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378250 CC1OB(OC1(C)C)c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F InChI=1S/C24H24BF5N2O4/c1-14-22(2,3)36-25(35-14)16-9-10-18(27)17(11-16)23(13-26)12-19(24(28,29)30)34-21(32-23)31-20(33)15-7-5-4-6-8-15/h4-11,14,19H,12-13H2,1-3H3,(H,31,32,33)/t14?,19-,23+/m0/s1 SSMPOHCDGCJMIY-GKTOABQUSA-N 214891 US9296734, 169 Beta-secretase 1 Homo sapiens 8.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380067 329965766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378251 Cc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O2/c1-8-3-9(20)7-27-15(8)16(30)28-10-4-11(14(22)12(21)5-10)18(2)6-13(19(23,24)25)31-17(26)29-18/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 UQWCZZUGRPGCBV-UGSOOPFHSA-N 214977 US9296734, 170 Beta-secretase 1 Homo sapiens 14 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372965 329965851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378252 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C(F)F InChI=1S/C20H17F7N4O2/c1-8-3-9(16(23)24)7-29-15(8)17(32)30-10-4-11(14(22)12(21)5-10)19(2)6-13(20(25,26)27)33-18(28)31-19/h3-5,7,13,16H,6H2,1-2H3,(H2,28,31)(H,30,32)/t13-,19-/m0/s1 RZNASLIUEOWJBI-DJJJIMSYSA-N 214978 US9296734, 171 Beta-secretase 1 Homo sapiens 17 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78323012 329965852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378253 NC1=N[C@@](CO)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F InChI=1S/C17H14BrF4N3O3/c18-9-3-4-24-14(5-9)27-10-1-2-12(19)11(6-10)16(8-26)7-13(17(20,21)22)28-15(23)25-16/h1-6,13,26H,7-8H2,(H2,23,25)/t13-,16+/m0/s1 XPIQTARPFRASRN-XJKSGUPXSA-N 214894 US9296734, 172 Beta-secretase 1 Homo sapiens 19 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373026 329965769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378254 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F InChI=1S/C19H14F5N5O2/c1-18(7-14(19(22,23)24)31-17(25)29-18)11-5-10(6-12(20)15(11)21)28-16(30)13-4-3-9(26-2)8-27-13/h3-6,8,14H,7H2,1H3,(H2,25,29)(H,28,30)/t14-,18-/m0/s1 VWEJPIJCLODAAQ-KSSFIOAISA-N 214970 US9296734, 163 Beta-secretase 1 Homo sapiens 2860 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124221533 329965844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378255 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H15ClF5N5O/c1-19(7-14(20(24,25)26)32-18(27)31-19)12-5-11(6-13(22)15(12)23)30-17-16-9(2-3-28-17)4-10(21)8-29-16/h2-6,8,14H,7H2,1H3,(H2,27,31)(H,28,30)/t14-,19-/m0/s1 DKBRLMWJUPMGKF-LIRRHRJNSA-N 214983 US9296734, 176 Beta-secretase 1 Homo sapiens 102 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732245 329965857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378256 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H15F5N6O/c1-20(7-15(21(24,25)26)33-19(28)32-20)13-5-12(6-14(22)16(13)23)31-18-17-11(2-3-29-18)4-10(8-27)9-30-17/h2-6,9,15H,7H2,1H3,(H2,28,32)(H,29,31)/t15-,20-/m0/s1 SWFXRUVBVUKMPN-YWZLYKJASA-N 214987 US9296734, 180 Beta-secretase 1 Homo sapiens 36 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372912 329965861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378257 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H14F6N6O/c1-20(5-15(21(25,26)27)34-19(29)33-20)12-3-10(4-13(22)16(12)24)32-18-17-11(14(23)8-31-18)2-9(6-28)7-30-17/h2-4,7-8,15H,5H2,1H3,(H2,29,33)(H,31,32)/t15-,20-/m0/s1 URUUZKVGBQRBGH-YWZLYKJASA-N 214984 US9296734, 177 Beta-secretase 1 Homo sapiens 275 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732246 329965858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378258 COc1cnc2c(Nc3cc(F)c(F)c(c3)[C@]3(C)C[C@H](OC(N)=N3)C(F)(F)F)nccc2n1 InChI=1S/C20H17F5N6O2/c1-19(7-13(20(23,24)25)33-18(26)31-19)10-5-9(6-11(21)15(10)22)29-17-16-12(3-4-27-17)30-14(32-2)8-28-16/h3-6,8,13H,7H2,1-2H3,(H2,26,31)(H,27,29)/t13-,19-/m0/s1 BAGSELRCANBMKO-DJJJIMSYSA-N 214985 US9296734, 178 Beta-secretase 1 Homo sapiens 240 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732247 329965859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378259 COc1cnc2c(Nc3cc(F)c(F)c(c3)[C@]3(C)C[C@H](OC(N)=N3)C(F)(F)F)nccc2c1 InChI=1S/C21H18F5N5O2/c1-20(8-15(21(24,25)26)33-19(27)31-20)13-6-11(7-14(22)16(13)23)30-18-17-10(3-4-28-18)5-12(32-2)9-29-17/h3-7,9,15H,8H2,1-2H3,(H2,27,31)(H,28,30)/t15-,20-/m0/s1 DUDZXWAXAOTJSE-YWZLYKJASA-N 214986 US9296734, 179 Beta-secretase 1 Homo sapiens 224 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90382575 329965860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378260 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H18F5N5O3/c1-8-15(26-7-13(27-8)31-3)16(30)28-9-4-10(14(21)11(20)5-9)18(2)6-12(19(22,23)24)32-17(25)29-18/h4-5,7,12H,6H2,1-3H3,(H2,25,29)(H,28,30)/t12-,18-/m0/s1 JZWAAFAQFIIWCU-SGTLLEGYSA-N 214980 US9296734, 173 Beta-secretase 1 Homo sapiens 85 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373110 329965854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378261 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F7N4O3/c1-8-3-10(33-17(23)24)7-29-15(8)16(32)30-9-4-11(14(22)12(21)5-9)19(2)6-13(20(25,26)27)34-18(28)31-19/h3-5,7,13,17H,6H2,1-2H3,(H2,28,31)(H,30,32)/t13-,19-/m0/s1 XMPNDCVYVQQNTC-DJJJIMSYSA-N 214981 US9296734, 174 Beta-secretase 1 Homo sapiens 26 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372894 329965855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378262 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H14BrF5N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 LYGNDZWTGVVFRF-GUYCJALGSA-N 214982 US9296734, 175 Beta-secretase 1 Homo sapiens 6.6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372854 329965856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378263 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF5N4OS/c19-9-1-4-13(26-7-9)15(30)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)29-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,30)/t14-,17+/m0/s1 BRPDMTKDYSZVAZ-WMLDXEAASA-N 214890 US9296734, 91 Beta-secretase 1 Homo sapiens 548 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373107 329965765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378264 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C19H16F4N6O3/c1-3-4-31-14-9-25-12(8-26-14)16(30)28-10-5-11(15(20)27-7-10)18(2)6-13(19(21,22)23)32-17(24)29-18/h1,5,7-9,13H,4,6H2,2H3,(H2,24,29)(H,28,30)/t13-,18-/m0/s1 FZAKIPOCIJPZTE-UGSOOPFHSA-N 214872 US9296734, 73 Beta-secretase 1 Homo sapiens 2.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373033 329965747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378265 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H17F4N5O3/c1-3-6-31-16-10-26-14(9-27-16)17(30)28-11-4-5-13(21)12(7-11)19(2)8-15(20(22,23)24)32-18(25)29-19/h1,4-5,7,9-10,15H,6,8H2,2H3,(H2,25,29)(H,28,30)/t15-,19-/m0/s1 GXNMNFHBLIOQPC-KXBFYZLASA-N 214844 US9296734, 45 Beta-secretase 1 Homo sapiens 0.5 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732127 329965720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378266 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C20H13F5N4O/c21-11-19(8-17(20(23,24)25)30-18(27)29-19)15-7-12(3-6-16(15)22)1-4-14-5-2-13(9-26)10-28-14/h2-3,5-7,10,17H,8,11H2,(H2,27,29)/t17-,19+/m0/s1 KXGLPHKAHQSZAZ-PKOBYXMFSA-N 214926 US9296734, 125 Beta-secretase 1 Homo sapiens 509 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86279155 329965801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378267 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16F5N5O2/c1-10-4-11(7-26)8-28-16(10)17(31)29-12-2-3-14(22)13(5-12)19(9-21)6-15(20(23,24)25)32-18(27)30-19/h2-5,8,15H,6,9H2,1H3,(H2,27,30)(H,29,31)/t15-,19+/m0/s1 CBFVEIDAVVTRFQ-HNAYVOBHSA-N 214850 US9296734, 126 Beta-secretase 1 Homo sapiens 7460 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71668047 329965726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378268 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(OC(F)F)cn1 InChI=1S/C20H14F7N3O2/c21-10-19(8-16(20(25,26)27)32-18(28)30-19)14-7-11(2-6-15(14)22)1-3-12-4-5-13(9-29-12)31-17(23)24/h2,4-7,9,16-17H,8,10H2,(H2,28,30)/t16-,19+/m0/s1 SXSDFPIELXYPDS-QFBILLFUSA-N 214928 US9296734, 127 Beta-secretase 1 Homo sapiens 2460 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372770 329965803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378269 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(OC2CCC2)cn1 InChI=1S/C23H20F5N3O2/c24-13-22(11-20(23(26,27)28)33-21(29)31-22)18-10-14(5-9-19(18)25)4-6-15-7-8-17(12-30-15)32-16-2-1-3-16/h5,7-10,12,16,20H,1-3,11,13H2,(H2,29,31)/t20-,22+/m0/s1 DIQWQJDTQHYMGZ-RBBKRZOGSA-N 214929 US9296734, 128 Beta-secretase 1 Homo sapiens 5980 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372887 329965804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378270 CNC(=O)c1ccnc(c1)C#Cc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H17F5N4O2/c1-28-18(31)13-6-7-29-14(9-13)4-2-12-3-5-16(23)15(8-12)20(11-22)10-17(21(24,25)26)32-19(27)30-20/h3,5-9,17H,10-11H2,1H3,(H2,27,30)(H,28,31)/t17-,20+/m0/s1 GKXQYJGONFQFOV-FXAWDEMLSA-N 214930 US9296734, 129 Beta-secretase 1 Homo sapiens >15600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373014 329965805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378271 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1cccc2[nH]ccc12 214931 US9296734, 130 Beta-secretase 1 Homo sapiens 2080 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373003 329965806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378272 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc2[nH]ccc2c1 214932 US9296734, 131 Beta-secretase 1 Homo sapiens 1810 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372918 329965807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378273 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc2cc[nH]c2c1 214933 US9296734, 132 Beta-secretase 1 Homo sapiens 3100 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373126 329965808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378274 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1cccc2cc[nH]c12 214934 US9296734, 133 Beta-secretase 1 Homo sapiens 4600 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373342 329965809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378275 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(cc(Cl)n2)-c2ccccc2)ccc1F InChI=1S/C23H17ClF5N3O2/c24-19-8-14(13-4-2-1-3-5-13)9-20(31-19)33-15-6-7-17(26)16(10-15)22(12-25)11-18(23(27,28)29)34-21(30)32-22/h1-10,18H,11-12H2,(H2,30,32)/t18-,22+/m0/s1 FQMMQDRJEHNIAE-PGRDOPGGSA-N 215043 US9296734, 235 Beta-secretase 1 Homo sapiens 8170 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732267 329965912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378276 CN(C)\N=C(\C[C@](CF)(N[S@](=O)C(C)(C)C)c1cccc(F)c1F)C(F)(F)F InChI=1S/C17H23F6N3OS/c1-15(2,3)28(27)25-16(10-18,11-7-6-8-12(19)14(11)20)9-13(17(21,22)23)24-26(4)5/h6-8,25H,9-10H2,1-5H3/b24-13-/t16-,28-/m1/s1 DOMAEUAPMZIXDO-KVGZYLRZSA-N 214956 US9296734, 234 Beta-secretase 1 Homo sapiens 57 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214956&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90380080 329965831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378277 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F InChI=1S/C18H12ClF7N4O2/c19-7-1-11(22)14(28-5-7)15(31)29-8-2-9(13(23)10(21)3-8)17(6-20)4-12(18(24,25)26)32-16(27)30-17/h1-3,5,12H,4,6H2,(H2,27,30)(H,29,31)/t12-,17+/m0/s1 HLDJICBVNWASST-YVEFUNNKSA-N 215041 US9296734, 233 Beta-secretase 1 Homo sapiens 78 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372911 329965910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378278 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H15F6N5O2/c1-9-2-10(6-27)7-29-16(9)17(32)30-11-3-12(15(23)13(22)4-11)19(8-21)5-14(20(24,25)26)33-18(28)31-19/h2-4,7,14H,5,8H2,1H3,(H2,28,31)(H,30,32)/t14-,19+/m0/s1 WWNBOKULGBAUQN-IFXJQAMLSA-N 215040 US9296734, 232 Beta-secretase 1 Homo sapiens 55 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373270 329965909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378279 COc1cccnc1Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H17F5N4O2/c1-17(8-13(18(21,22)23)29-16(24)27-17)10-6-9(7-11(19)14(10)20)26-15-12(28-2)4-3-5-25-15/h3-7,13H,8H2,1-2H3,(H2,24,27)(H,25,26)/t13-,17-/m0/s1 SXKABSWAMBWBIC-GUYCJALGSA-N 215039 US9296734, 231 Beta-secretase 1 Homo sapiens 162 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732266 329965908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378280 Cc1cc(NC(=O)c2ncc(cc2C)C(F)F)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H19F7N4O2/c1-9-4-12(31-18(33)16-10(2)3-11(7-30-16)17(24)25)5-13(15(9)23)20(8-22)6-14(21(26,27)28)34-19(29)32-20/h3-5,7,14,17H,6,8H2,1-2H3,(H2,29,32)(H,31,33)/t14-,20+/m0/s1 FEXATESTSZOOOK-VBKZILBWSA-N 215024 US9296734, 216 Beta-secretase 1 Homo sapiens 35 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732264 329965893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378281 CC[Si](CC)(CC)c1cc(Br)nc(c1F)[C@@](CC(=O)OC(C)(C)C)(N[S@](=O)C(C)(C)C)C(F)F InChI=1S/C23H38BrF3N2O3SSi/c1-10-34(11-2,12-3)15-13-16(24)28-19(18(15)25)23(20(26)27,29-33(31)22(7,8)9)14-17(30)32-21(4,5)6/h13,20,29H,10-12,14H2,1-9H3/t23-,33-/m1/s1 IIMLZMCOKFOIHB-PVAZPRTOSA-N 214939 US9296734, 217 Beta-secretase 1 Homo sapiens 38 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732173 329965814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378282 FC(F)[C@@]1(C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H16ClF6N5O3/c25-13-6-8-15(32-11-13)20(38)34-17-9-7-14(26)18(33-17)23(21(27)28)10-16(24(29,30)31)39-22(36-23)35-19(37)12-4-2-1-3-5-12/h1-9,11,16,21H,10H2,(H,33,34,38)(H,35,36,37)/t16-,23+/m0/s1 FJASYXQBTMOCMD-QMHKHESXSA-N 214940 US9296734, 218 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732182 329965815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378283 Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F5N5O2/c1-10-4-13(30-18(32)17-11(2)3-12(7-27)8-29-17)5-14(16(10)23)20(9-22)6-15(21(24,25)26)33-19(28)31-20/h3-5,8,15H,6,9H2,1-2H3,(H2,28,31)(H,30,32)/t15-,20+/m0/s1 IHCNTVZLTALTSC-MGPUTAFESA-N 215027 US9296734, 219 Beta-secretase 1 Homo sapiens 11 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373412 329965896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378284 CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Br)cnc1F InChI=1S/C23H21BrF5N3O4/c1-21(2,3)36-20(34)32(18(33)13-7-5-4-6-8-13)19-31-22(12-25,10-16(35-19)23(27,28)29)15-9-14(24)11-30-17(15)26/h4-9,11,16H,10,12H2,1-3H3/t16-,22+/m0/s1 AZADPTMTRMDTQW-KSFYIVLOSA-N 214942 US9296734, 220 Beta-secretase 1 Homo sapiens 429 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732193 329965817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378285 Cc1cc(NC(=O)c2ccc(cn2)C(F)F)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F7N4O2/c1-9-4-11(30-17(32)13-3-2-10(7-29-13)16(23)24)5-12(15(9)22)19(8-21)6-14(20(25,26)27)33-18(28)31-19/h2-5,7,14,16H,6,8H2,1H3,(H2,28,31)(H,30,32)/t14-,19+/m0/s1 UROOROFDAZOMMK-IFXJQAMLSA-N 215029 US9296734, 221 Beta-secretase 1 Homo sapiens 33 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372979 329965898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378286 COc1cc(Cl)cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H18ClF5N4O3/c1-9-3-11(29-17(31)16-13(32-2)4-10(21)7-28-16)5-12(15(9)23)19(8-22)6-14(20(24,25)26)33-18(27)30-19/h3-5,7,14H,6,8H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19+/m0/s1 JXOVRQCLHXZZQU-IFXJQAMLSA-N 215030 US9296734, 222 Beta-secretase 1 Homo sapiens 29 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372989 329965899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378287 Cc1cc(NC(=O)c2ccc(F)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16F6N4O2/c1-9-4-11(28-16(30)13-3-2-10(21)7-27-13)5-12(15(9)22)18(8-20)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 XACDJBVGVFXITK-KBXCAEBGSA-N 215031 US9296734, 223 Beta-secretase 1 Homo sapiens 29 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372913 329965900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378288 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17F5N4O3/c1-18(7-14(19(22,23)24)31-17(25)28-18)11-5-9(6-12(20)15(11)21)27-16(29)13-4-3-10(30-2)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,25,28)(H,27,29)/t14-,18-/m0/s1 CYIXTWNWTMZLDA-KSSFIOAISA-N 215008 US9296734, 201 Beta-secretase 1 Homo sapiens 15 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373358 329965879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378289 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O2/c1-9-4-11(28-16(30)13-3-2-10(20)7-27-13)5-12(15(9)22)18(8-21)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1 GYMHODDGJSNQFR-KBXCAEBGSA-N 215032 US9296734, 224 Beta-secretase 1 Homo sapiens 7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373023 329965901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378290 CN(C)\N=C(\C[C@](CF)(N[S@](=O)C(C)(C)C)c1cccc(Br)c1)C(F)(F)F InChI=1S/C17H24BrF4N3OS/c1-15(2,3)27(26)24-16(11-19,12-7-6-8-13(18)9-12)10-14(17(20,21)22)23-25(4)5/h6-9,24H,10-11H2,1-5H3/b23-14-/t16-,27-/m1/s1 RGXIOOONLGUZHN-FFMYHJDOSA-N 214947 US9296734, 225 Beta-secretase 1 Homo sapiens 24 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373001 329965822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378291 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C21H21F5N4O3/c1-10-4-12(29-18(31)17-11(2)5-13(32-3)8-28-17)6-14(16(10)23)20(9-22)7-15(21(24,25)26)33-19(27)30-20/h4-6,8,15H,7,9H2,1-3H3,(H2,27,30)(H,29,31)/t15-,20+/m0/s1 PNFLNXGLLPYZMA-MGPUTAFESA-N 215034 US9296734, 226 Beta-secretase 1 Homo sapiens 49 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373497 329965903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378292 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C20H19F5N4O3/c1-9-4-11(31-3)8-27-16(9)17(30)28-10-5-12(15(22)13(21)6-10)19(2)7-14(20(23,24)25)32-18(26)29-19/h4-6,8,14H,7H2,1-3H3,(H2,26,29)(H,28,30)/t14-,19-/m0/s1 UZGPYPZLRRIGMS-LIRRHRJNSA-N 215009 US9296734, 202 Beta-secretase 1 Homo sapiens 35 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372954 329965880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378293 COc1cnc(cn1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H18F5N5O3/c1-9-3-10(28-16(30)12-6-27-14(31-2)7-26-12)4-11(15(9)21)18(8-20)5-13(19(22,23)24)32-17(25)29-18/h3-4,6-7,13H,5,8H2,1-2H3,(H2,25,29)(H,28,30)/t13-,18+/m0/s1 LYSVSZDZWGUCLE-SCLBCKFNSA-N 215035 US9296734, 227 Beta-secretase 1 Homo sapiens 23 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372867 329965904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378294 Cc1cc(NC(=O)c2ncc(OC(F)F)cc2C)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H19F7N4O3/c1-9-3-11(31-17(33)16-10(2)4-12(7-30-16)34-18(24)25)5-13(15(9)23)20(8-22)6-14(21(26,27)28)35-19(29)32-20/h3-5,7,14,18H,6,8H2,1-2H3,(H2,29,32)(H,31,33)/t14-,20+/m0/s1 DOJKVGOVJKQTDR-VBKZILBWSA-N 215036 US9296734, 228 Beta-secretase 1 Homo sapiens 28 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373136 329965905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378295 COc1ccc(nc1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H19F5N4O3/c1-10-5-11(28-17(30)14-4-3-12(31-2)8-27-14)6-13(16(10)22)19(9-21)7-15(20(23,24)25)32-18(26)29-19/h3-6,8,15H,7,9H2,1-2H3,(H2,26,29)(H,28,30)/t15-,19+/m0/s1 WMSIVQROFPBHJD-HNAYVOBHSA-N 215037 US9296734, 229 Beta-secretase 1 Homo sapiens 34 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373367 329965906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378296 Cc1cc(Nc2ncnc3cc(Cl)cnc23)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H16ClF5N6O/c1-9-2-11(31-17-16-13(29-8-30-17)3-10(21)6-28-16)4-12(15(9)23)19(7-22)5-14(20(24,25)26)33-18(27)32-19/h2-4,6,8,14H,5,7H2,1H3,(H2,27,32)(H,29,30,31)/t14-,19+/m0/s1 SJFOTMZTIGRPJX-IFXJQAMLSA-N 215038 US9296734, 230 Beta-secretase 1 Homo sapiens 57 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732265 329965907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378297 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F InChI=1S/C18H13ClF6N4O2/c1-17(5-12(18(23,24)25)31-16(26)29-17)9-3-8(4-10(20)13(9)22)28-15(30)14-11(21)2-7(19)6-27-14/h2-4,6,12H,5H2,1H3,(H2,26,29)(H,28,30)/t12-,17-/m0/s1 HJJKIPLMIWXFHS-SJCJKPOMSA-N 215012 US9296734, 205 Beta-secretase 1 Homo sapiens 10 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373416 329965882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378298 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F InChI=1S/C21H17F5N6O4/c1-20(6-14(21(24,25)26)36-19(27)32-20)11-4-10(5-12(22)17(11)23)31-18(33)13-7-30-15(8-29-13)35-9-16-28-2-3-34-16/h2-5,7-8,14H,6,9H2,1H3,(H2,27,32)(H,31,33)/t14-,20-/m0/s1 OXVSBNLXZOHRER-XOBRGWDASA-N 215011 US9296734, 204 Beta-secretase 1 Homo sapiens 3 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373325 329965881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378299 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(Cl)c1F InChI=1S/C19H14ClF4N5O2/c1-18(6-14(19(22,23)24)31-17(26)29-18)11-4-10(5-12(20)15(11)21)28-16(30)13-3-2-9(7-25)8-27-13/h2-5,8,14H,6H2,1H3,(H2,26,29)(H,28,30)/t14-,18-/m0/s1 BGMZPQBWEKJUKD-KSSFIOAISA-N 215014 US9296734, 206 Beta-secretase 1 Homo sapiens 12 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732252 329965883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378300 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F InChI=1S/C19H13ClF8N4O2/c1-17(5-12(19(26,27)28)34-16(29)32-17)9-3-8(4-11(21)13(9)22)31-15(33)14-10(20)2-7(6-30-14)18(23,24)25/h2-4,6,12H,5H2,1H3,(H2,29,32)(H,31,33)/t12-,17-/m0/s1 SPOPJOZGEOZUEX-SJCJKPOMSA-N 214994 US9296734, 187 Beta-secretase 1 Homo sapiens 15 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372975 329965865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378301 CC#CCOc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C23H21F5N4O3/c1-4-5-6-34-14-7-12(2)19(30-11-14)20(33)31-13-8-15(18(25)16(24)9-13)22(3)10-17(23(26,27)28)35-21(29)32-22/h7-9,11,17H,6,10H2,1-3H3,(H2,29,32)(H,31,33)/t17-,22-/m0/s1 WIIGVRWZTXZZEY-JTSKRJEESA-N 214995 US9296734, 188 Beta-secretase 1 Homo sapiens 12 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373248 329965866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378302 CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H19F5N4O3/c1-3-4-7-33-13-5-6-16(29-11-13)19(32)30-12-8-14(18(24)15(23)9-12)21(2)10-17(22(25,26)27)34-20(28)31-21/h5-6,8-9,11,17H,7,10H2,1-2H3,(H2,28,31)(H,30,32)/t17-,21-/m0/s1 PSPJRBGCZKBSQX-UWJYYQICSA-N 214996 US9296734, 189 Beta-secretase 1 Homo sapiens 3 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372756 329965867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378303 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F5N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1 BAVHIXAGHWHFIZ-LIRRHRJNSA-N 214997 US9296734, 190 Beta-secretase 1 Homo sapiens 2 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373309 329965868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378304 Cc1cc(OCC2CC2)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C23H23F5N4O3/c1-11-5-14(34-10-12-3-4-12)9-30-19(11)20(33)31-13-6-15(18(25)16(24)7-13)22(2)8-17(23(26,27)28)35-21(29)32-22/h5-7,9,12,17H,3-4,8,10H2,1-2H3,(H2,29,32)(H,31,33)/t17-,22-/m0/s1 ZFVIXMFRDAHNJY-JTSKRJEESA-N 214998 US9296734, 191 Beta-secretase 1 Homo sapiens 549 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372920 329965869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378305 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H17F5N4O3/c1-3-6-32-12-4-5-15(28-10-12)18(31)29-11-7-13(17(23)14(22)8-11)20(2)9-16(21(24,25)26)33-19(27)30-20/h1,4-5,7-8,10,16H,6,9H2,2H3,(H2,27,30)(H,29,31)/t16-,20-/m0/s1 IVLBKNZKOKOKBT-JXFKEZNVSA-N 214999 US9296734, 192 Beta-secretase 1 Homo sapiens 12 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372809 329965870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378306 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F InChI=1S/C18H14F7N5O2/c1-17(4-12(18(23,24)25)32-16(26)30-17)8-2-7(3-9(19)13(8)20)29-15(31)11-6-27-10(5-28-11)14(21)22/h2-3,5-6,12,14H,4H2,1H3,(H2,26,30)(H,29,31)/t12-,17-/m0/s1 VTVGTRYCYBHBOJ-SJCJKPOMSA-N 215000 US9296734, 193 Beta-secretase 1 Homo sapiens 18 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373194 329965871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378307 Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C21H18F8N4O3/c1-9-3-11(35-8-20(24,25)26)7-31-16(9)17(34)32-10-4-12(15(23)13(22)5-10)19(2)6-14(21(27,28)29)36-18(30)33-19/h3-5,7,14H,6,8H2,1-2H3,(H2,30,33)(H,32,34)/t14-,19-/m0/s1 PMKFKGOFOICSCX-LIRRHRJNSA-N 215001 US9296734, 194 Beta-secretase 1 Homo sapiens 213 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373125 329965872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378308 COc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H16ClF5N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-4-9(5-11(21)14(10)22)28-16(30)15-12(31-2)3-8(20)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 PSHOVOIOCRZCGO-UGSOOPFHSA-N 215002 US9296734, 195 Beta-secretase 1 Homo sapiens 11 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372990 329965873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378309 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C19H15F8N5O3/c1-17(4-12(19(25,26)27)35-16(28)32-17)9-2-8(3-10(20)14(9)21)31-15(33)11-5-30-13(6-29-11)34-7-18(22,23)24/h2-3,5-6,12H,4,7H2,1H3,(H2,28,32)(H,31,33)/t12-,17-/m0/s1 LVAPAZMDWGCBAC-SJCJKPOMSA-N 214993 US9296734, 186 Beta-secretase 1 Homo sapiens 15 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372817 329965864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378310 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H13ClF7N5O2/c1-16(4-10(17(23,24)25)32-15(26)28-16)7-2-6(3-9(19)11(7)20)27-13(31)12-8(18)5-30(29-12)14(21)22/h2-3,5,10,14H,4H2,1H3,(H2,26,28)(H,27,31)/t10-,16-/m0/s1 JKSUNYVCXXLKLU-QFYYESIMSA-N 215003 US9296734, 196 Beta-secretase 1 Homo sapiens 7 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372797 329965874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378311 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H17F8N5O3/c1-8-15(30-6-13(31-8)35-7-19(23,24)25)16(34)32-9-3-10(14(22)11(21)4-9)18(2)5-12(20(26,27)28)36-17(29)33-18/h3-4,6,12H,5,7H2,1-2H3,(H2,29,33)(H,32,34)/t12-,18-/m0/s1 URXDDNHYDQLRAI-SGTLLEGYSA-N 215004 US9296734, 197 Beta-secretase 1 Homo sapiens 49 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372862 329965875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378312 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C19H14ClF7N4O2/c1-18(5-12(19(25,26)27)33-17(28)31-18)9-3-8(4-11(21)13(9)22)30-16(32)14-10(20)2-7(6-29-14)15(23)24/h2-4,6,12,15H,5H2,1H3,(H2,28,31)(H,30,32)/t12-,18-/m0/s1 FXPVAGYMPYOYKV-SGTLLEGYSA-N 215005 US9296734, 198 Beta-secretase 1 Homo sapiens 15 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373055 329965876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378313 COCc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C20H18ClF5N4O3/c1-19(6-14(20(24,25)26)33-18(27)30-19)12-4-11(5-13(22)15(12)23)29-17(31)16-9(8-32-2)3-10(21)7-28-16/h3-5,7,14H,6,8H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 INBJWWLIZYJULR-LIRRHRJNSA-N 215006 US9296734, 199 Beta-secretase 1 Homo sapiens 13 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372884 329965877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378314 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)cc(F)c1F InChI=1S/C19H15F7N4O2/c1-18(6-13(19(24,25)26)32-17(27)30-18)10-4-9(5-11(20)14(10)21)29-16(31)12-3-2-8(7-28-12)15(22)23/h2-5,7,13,15H,6H2,1H3,(H2,27,30)(H,29,31)/t13-,18-/m0/s1 ISQWYOURAYVBHY-UGSOOPFHSA-N 215007 US9296734, 200 Beta-secretase 1 Homo sapiens 14 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373290 329965878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378315 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(Cl)c1F InChI=1S/C18H14Cl2F4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 SZNVTIQOGRMEDD-GUYCJALGSA-N 215015 US9296734, 207 Beta-secretase 1 Homo sapiens 20 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373230 329965884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378316 COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(19)14(9)20)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 UJACHSGNPAQFMC-SJCJKPOMSA-N 215016 US9296734, 208 Beta-secretase 1 Homo sapiens 3 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373102 329965885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378317 COc1ccc(nc1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C19H17ClF4N4O3/c1-18(7-14(19(22,23)24)31-17(25)28-18)11-5-9(6-12(20)15(11)21)27-16(29)13-4-3-10(30-2)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,25,28)(H,27,29)/t14-,18-/m0/s1 MSRIEPUHODTAMI-KSSFIOAISA-N 215017 US9296734, 209 Beta-secretase 1 Homo sapiens 35 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372830 329965886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378318 Cc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N InChI=1S/C20H16ClF4N5O2/c1-9-3-10(7-26)8-28-16(9)17(31)29-11-4-12(15(22)13(21)5-11)19(2)6-14(20(23,24)25)32-18(27)30-19/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1 ZBZPGJLTVUOKJO-LIRRHRJNSA-N 215018 US9296734, 210 Beta-secretase 1 Homo sapiens 34 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373224 329965887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378319 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(Cl)c1F InChI=1S/C18H14ClF6N5O2/c1-17(4-12(18(23,24)25)32-16(26)30-17)8-2-7(3-9(19)13(8)20)29-15(31)11-6-27-10(5-28-11)14(21)22/h2-3,5-6,12,14H,4H2,1H3,(H2,26,30)(H,29,31)/t12-,17-/m0/s1 CBBIUJLSFAPYDR-SJCJKPOMSA-N 215019 US9296734, 211 Beta-secretase 1 Homo sapiens 47 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373163 329965888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378320 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(Cl)c1F InChI=1S/C20H16ClF4N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1 LVURSRPBGNGMPV-LIRRHRJNSA-N 215020 US9296734, 212 Beta-secretase 1 Homo sapiens 1 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373160 329965889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378321 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(Cl)c1F InChI=1S/C18H14BrClF4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 SCVKCUCVUJRXBL-GUYCJALGSA-N 215021 US9296734, 213 Beta-secretase 1 Homo sapiens 31.9 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373201 329965890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378322 COc1cnc(C(=O)Nc2cc(Cl)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H18ClF4N5O3/c1-8-15(26-7-13(27-8)31-3)16(30)28-9-4-10(14(21)11(20)5-9)18(2)6-12(19(22,23)24)32-17(25)29-18/h4-5,7,12H,6H2,1-3H3,(H2,25,29)(H,28,30)/t12-,18-/m0/s1 MRJRDKDTZRAYCS-SGTLLEGYSA-N 215023 US9296734, 215 Beta-secretase 1 Homo sapiens 63 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373505 329965892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378323 FC[C@]1(C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F)c1nc(Br)ccc1F InChI=1S/C18H13BrF5N3O2/c19-13-7-6-11(21)14(25-13)17(9-20)8-12(18(22,23)24)29-16(27-17)26-15(28)10-4-2-1-3-5-10/h1-7,12H,8-9H2,(H,26,27,28)/t12-,17+/m0/s1 IVSZSGKQXOHUDC-YVEFUNNKSA-N 214936 US9296734, 214 Beta-secretase 1 Homo sapiens 29 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=214936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=214936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732168 329965811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378324 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1Cl InChI=1S/C18H14Cl2F4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(21)14(10)20)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1 VODWVVCPSRNTMY-GUYCJALGSA-N 215045 US9296734, 236 Beta-secretase 1 Homo sapiens 39 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86732276 329965913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378325 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(20)14(9)19)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1 PCFLHPOLXMMRAD-SJCJKPOMSA-N 215046 US9296734, 237 Beta-secretase 1 Homo sapiens 13 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373228 329965914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378326 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl InChI=1S/C19H14ClF4N5O2/c1-18(6-14(19(22,23)24)31-17(26)29-18)11-4-10(5-12(21)15(11)20)28-16(30)13-3-2-9(7-25)8-27-13/h2-5,8,14H,6H2,1H3,(H2,26,29)(H,28,30)/t14-,18-/m0/s1 XOQVCCZUTDOIAW-KSSFIOAISA-N 215047 US9296734, 238 Beta-secretase 1 Homo sapiens 6 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90372869 329965915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378327 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(F)c1 InChI=1S/C19H16F6N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-3-8(4-11(20)14(10)22)28-16(30)15-12(21)5-9(31-2)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1 HQSLQGZKDXFBJY-UGSOOPFHSA-N 215048 US9296734, 239 Beta-secretase 1 Homo sapiens 12 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90373209 329965916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 378328 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cc2F)cc(F)c1F InChI=1S/C18H13BrF6N4O2/c1-17(5-12(18(23,24)25)31-16(26)29-17)9-3-8(4-10(20)13(9)22)28-15(30)14-11(21)2-7(19)6-27-14/h2-4,6,12H,5H2,1H3,(H2,26,29)(H,28,30)/t12-,17-/m0/s1 ZZPJGOKPTZEOIK-SJCJKPOMSA-N 215049 US9296734, 240 Beta-secretase 1 Homo sapiens 22 37.00 C US Patent 10.7270/Q2DR2TB3 aid1802462 US9296734 Minatti, AE; Low, JD; Allen, JR; Chen, J; Chen, N; Cheng, Y; Judd, T; Liu, Q; Lopez, P; Qian, W; Rumfelt, S; Rzasa, RM; Tamayo, NA; Xue, Q; Yang, B; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=215049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=215049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90382583 329965917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386358 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(Br)cc21 InChI=1S/C21H15BrClN5O3/c22-11-7-15-19(26-9-11)31-17-4-2-13(27-18(29)16-3-1-12(23)10-25-16)8-14(17)21(15)5-6-30-20(24)28-21/h1-4,7-10H,5-6H2,(H2,24,28)(H,27,29) JSZOTDAWDNCHRL-UHFFFAOYSA-N 220769 US9296759, 34 Beta-secretase 1 Homo sapiens 13.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104844 329995776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386359 NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(O)cn3)ccc1Oc1ncc(Br)cc21 InChI=1S/C20H15BrN6O4/c21-10-5-13-18(25-7-10)31-15-2-1-11(26-17(29)14-8-24-16(28)9-23-14)6-12(15)20(13)3-4-30-19(22)27-20/h1-2,5-9H,3-4H2,(H2,22,27)(H,24,28)(H,26,29) OSNSGUNKXCWXRC-UHFFFAOYSA-N 220770 US9296759, 43 Beta-secretase 1 Homo sapiens 113 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 123887807 329995777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386360 COc1cnc(cn1)C(=O)Nc1ccc2Oc3ncc(Br)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C21H17BrN6O4/c1-30-17-10-24-15(9-25-17)18(29)27-12-2-3-16-13(7-12)21(4-5-31-20(23)28-21)14-6-11(22)8-26-19(14)32-16/h2-3,6-10H,4-5H2,1H3,(H2,23,28)(H,27,29) NPRHMVHRHMXTBN-UHFFFAOYSA-N 220771 US9296759, 44 Beta-secretase 1 Homo sapiens 47.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104891 329995778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386361 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(Cl)cc21 InChI=1S/C21H14Cl2FN5O3/c22-10-1-3-14(26-9-10)19(30)27-11-2-4-15-12(7-11)21(5-6-31-20(25)29-21)13-8-16(23)28-18(24)17(13)32-15/h1-4,7-9H,5-6H2,(H2,25,29)(H,27,30) SYHFJIGWOKCFAB-UHFFFAOYSA-N 220772 US9296759, 38 Beta-secretase 1 Homo sapiens 6.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104890 329995779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386362 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(Cl)cc21 InChI=1S/C22H14ClFN6O3/c23-17-8-14-18(19(24)29-17)33-16-4-2-12(7-13(16)22(14)5-6-32-21(26)30-22)28-20(31)15-3-1-11(9-25)10-27-15/h1-4,7-8,10H,5-6H2,(H2,26,30)(H,28,31) JFXAHGIBCYXVRC-UHFFFAOYSA-N 220773 US9296759, 46 Beta-secretase 1 Homo sapiens 7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104889 329995780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386363 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C21H16ClFN6O4/c1-31-16-9-25-13(8-26-16)19(30)27-10-2-3-14-11(6-10)21(4-5-32-20(24)29-21)12-7-15(22)28-18(23)17(12)33-14/h2-3,6-9H,4-5H2,1H3,(H2,24,29)(H,27,30) VWYSDZJSLVTJKZ-UHFFFAOYSA-N 220774 US9296759, 47 Beta-secretase 1 Homo sapiens 26.7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105162 329995781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386364 CC#CCOc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C24H18ClFN6O4/c1-2-3-7-34-19-12-28-16(11-29-19)22(33)30-13-4-5-17-14(9-13)24(6-8-35-23(27)32-24)15-10-18(25)31-21(26)20(15)36-17/h4-5,9-12H,6-8H2,1H3,(H2,27,32)(H,30,33) SVWPGEUMPZVNFG-UHFFFAOYSA-N 220775 US9296759, 48 Beta-secretase 1 Homo sapiens 0.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105160 329995782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386365 NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(Cl)cn3)ccc1Oc1c(F)nc(Cl)cc21 InChI=1S/C20H13Cl2FN6O3/c21-14-6-11-16(17(23)28-14)32-13-2-1-9(27-18(30)12-7-26-15(22)8-25-12)5-10(13)20(11)3-4-31-19(24)29-20/h1-2,5-8H,3-4H2,(H2,24,29)(H,27,30) YLNAQYXZNXDCQY-UHFFFAOYSA-N 220776 US9296759, 49 Beta-secretase 1 Homo sapiens 16.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105161 329995783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386366 COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C23H18ClFN4O3S/c1-31-14-9-16-20(17(25)10-14)32-19-5-3-13(28-21(30)18-4-2-12(24)11-27-18)8-15(19)23(16)6-7-33-22(26)29-23/h2-5,8-11H,6-7H2,1H3,(H2,26,29)(H,28,30) IZBWNYFGJABTCT-UHFFFAOYSA-N 220777 US9296759, 32 Beta-secretase 1 Homo sapiens 19.3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105159 329995784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386367 COc1cc(F)c2Oc3ccc(NC(=O)c4cnc(OC)cn4)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C23H20FN5O4S/c1-31-13-8-15-20(16(24)9-13)33-18-4-3-12(7-14(18)23(15)5-6-34-22(25)29-23)28-21(30)17-10-27-19(32-2)11-26-17/h3-4,7-11H,5-6H2,1-2H3,(H2,25,29)(H,28,30) GTNDHGPFQLLMRP-UHFFFAOYSA-N 220778 US9296759, 50 Beta-secretase 1 Homo sapiens 40.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105163 329995785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386368 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)C1=CCOCC1 InChI=1S/C26H22ClN5O4/c27-17-1-3-21(29-14-17)23(33)31-18-2-4-22-19(12-18)26(7-10-35-25(28)32-26)20-11-16(13-30-24(20)36-22)15-5-8-34-9-6-15/h1-5,11-14H,6-10H2,(H2,28,32)(H,31,33) PZNAKLZXOQENGY-UHFFFAOYSA-N 220779 US9296759, 45 Beta-secretase 1 Homo sapiens 2.7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105085 329995786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386369 COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C23H18ClFN4O4/c1-31-14-9-16-20(17(25)10-14)33-19-5-3-13(28-21(30)18-4-2-12(24)11-27-18)8-15(19)23(16)6-7-32-22(26)29-23/h2-5,8-11H,6-7H2,1H3,(H2,26,29)(H,28,30) ZHIZQQIASYDJIR-UHFFFAOYSA-N 220780 US9296759, 42 Beta-secretase 1 Homo sapiens 37.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600814 329995787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386370 NC1=NC2(CCO1)c1cccnc1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc21 InChI=1S/C21H16ClN5O3/c22-12-3-5-16(25-11-12)18(28)26-13-4-6-17-15(10-13)21(7-9-29-20(23)27-21)14-2-1-8-24-19(14)30-17/h1-6,8,10-11H,7,9H2,(H2,23,27)(H,26,28) ABCASISKWSBLPX-UHFFFAOYSA-N 220781 US9296759, 36 Beta-secretase 1 Homo sapiens 45.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105120 329995788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386371 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cc3F)ccc1Oc1ncc(Br)cc21 InChI=1S/C22H15BrClFN4O3/c23-11-7-16-20(27-10-11)32-18-4-2-13(9-15(18)22(16)5-6-31-21(26)29-22)28-19(30)14-3-1-12(24)8-17(14)25/h1-4,7-10H,5-6H2,(H2,26,29)(H,28,30) RRIWSIRLKLYADR-UHFFFAOYSA-N 220782 US9296759, 37 Beta-secretase 1 Homo sapiens 120 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105121 329995789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386372 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 InChI=1S/C26H21ClFN5O4/c27-15-3-5-19(30-12-15)24(34)31-16-4-6-21-17(10-16)26(7-9-36-25(29)33-26)18-11-20(14-2-1-8-35-13-14)32-23(28)22(18)37-21/h2-6,10-12H,1,7-9,13H2,(H2,29,33)(H,31,34) HDEPJBIWDKAKFI-UHFFFAOYSA-N 220783 US9296759, 39 Beta-secretase 1 Homo sapiens 2 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78090782 329995790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386373 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C26H23FN6O5/c1-35-21-12-29-19(11-30-21)24(34)31-15-4-5-20-16(9-15)26(6-8-37-25(28)33-26)17-10-18(14-3-2-7-36-13-14)32-23(27)22(17)38-20/h3-5,9-12H,2,6-8,13H2,1H3,(H2,28,33)(H,31,34) ASDFHCPPQKXJBI-UHFFFAOYSA-N 220784 US9296759, 51 Beta-secretase 1 Homo sapiens 2.7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105118 329995791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386374 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 InChI=1S/C27H21FN6O4/c28-24-23-19(11-21(33-24)16-2-1-8-36-14-16)27(7-9-37-26(30)34-27)18-10-17(4-6-22(18)38-23)32-25(35)20-5-3-15(12-29)13-31-20/h2-6,10-11,13H,1,7-9,14H2,(H2,30,34)(H,32,35) JDRQGSSEECRIHA-UHFFFAOYSA-N 220785 US9296759, 52 Beta-secretase 1 Homo sapiens 2 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105119 329995792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386375 COc1nc(cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1C21CCOC(N)=N1)C1CC1 InChI=1S/C25H22ClN5O4/c1-33-23-21-17(11-19(30-23)13-2-3-13)25(8-9-34-24(27)31-25)16-10-15(5-7-20(16)35-21)29-22(32)18-6-4-14(26)12-28-18/h4-7,10-13H,2-3,8-9H2,1H3,(H2,27,31)(H,29,32) KIQMVVLYTMNMPN-UHFFFAOYSA-N 220786 US9296759, 53 Beta-secretase 1 Homo sapiens 12.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105122 329995793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386376 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1CC1 InChI=1S/C24H19ClFN5O3/c25-13-3-5-17(28-11-13)22(32)29-14-4-6-19-15(9-14)24(7-8-33-23(27)31-24)16-10-18(12-1-2-12)30-21(26)20(16)34-19/h3-6,9-12H,1-2,7-8H2,(H2,27,31)(H,29,32) MZCXIDIUQODXNG-UHFFFAOYSA-N 220787 US9296759, 40 Beta-secretase 1 Homo sapiens 2.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105262 329995794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386377 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1CC1 InChI=1S/C24H21FN6O4/c1-33-19-11-27-17(10-28-19)22(32)29-13-4-5-18-14(8-13)24(6-7-34-23(26)31-24)15-9-16(12-2-3-12)30-21(25)20(15)35-18/h4-5,8-12H,2-3,6-7H2,1H3,(H2,26,31)(H,29,32) SODWNIJXKDYAMU-UHFFFAOYSA-N 220788 US9296759, 54 Beta-secretase 1 Homo sapiens 5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105263 329995795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386378 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)C1=CCCOC1 InChI=1S/C26H22ClN5O4/c27-17-3-5-21(29-13-17)23(33)31-18-4-6-22-19(11-18)26(7-9-35-25(28)32-26)20-10-16(12-30-24(20)36-22)15-2-1-8-34-14-15/h2-6,10-13H,1,7-9,14H2,(H2,28,32)(H,31,33) FVORLUIZFYFKJJ-UHFFFAOYSA-N 220789 US9296759, 35 Beta-secretase 1 Homo sapiens 5.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105290 329995796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386379 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C21H16ClFN6O3S/c1-31-16-9-25-13(8-26-16)19(30)27-10-2-3-14-11(6-10)21(4-5-33-20(24)29-21)12-7-15(22)28-18(23)17(12)32-14/h2-3,6-9H,4-5H2,1H3,(H2,24,29)(H,27,30) CQIBGGKTTCEBQS-UHFFFAOYSA-N 220790 US9296759, 55::US9296759, 56 Beta-secretase 1 Homo sapiens 913.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105196 329995797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386380 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C21H16ClFN6O3S/c1-31-16-9-25-13(8-26-16)19(30)27-10-2-3-14-11(6-10)21(4-5-33-20(24)29-21)12-7-15(22)28-18(23)17(12)32-14/h2-3,6-9H,4-5H2,1H3,(H2,24,29)(H,27,30) CQIBGGKTTCEBQS-UHFFFAOYSA-N 220790 US9296759, 55::US9296759, 56 Beta-secretase 1 Homo sapiens 6.2 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105196 329995797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386381 Cc1cccnc1Nc1ccc2Oc3c(F)nc(Cl)cc3[C@]3(CCOC(N)=N3)c2c1 InChI=1S/C21H17ClFN5O2/c1-11-3-2-7-25-19(11)26-12-4-5-15-13(9-12)21(6-8-29-20(24)28-21)14-10-16(22)27-18(23)17(14)30-15/h2-5,7,9-10H,6,8H2,1H3,(H2,24,28)(H,25,26)/t21-/m0/s1 BAKXSXKEYHDFGY-NRFANRHFSA-N 220792 US9296759, 41 Beta-secretase 1 Homo sapiens 254 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473231 329995798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386382 CCOc1cccnc1Nc1ccc2Oc3c(F)cc(OC)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C24H23FN4O3S/c1-3-31-20-5-4-9-27-22(20)28-14-6-7-19-16(11-14)24(8-10-33-23(26)29-24)17-12-15(30-2)13-18(25)21(17)32-19/h4-7,9,11-13H,3,8,10H2,1-2H3,(H2,26,29)(H,27,28) VGJXFYMPKBDUCA-UHFFFAOYSA-N 220793 US9296759, 33 Beta-secretase 1 Homo sapiens 48.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 123400481 329995799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386383 COc1cc(F)c2Oc3ccc(Nc4ncccc4OCc4ccccc4)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C29H25FN4O4/c1-35-20-15-22-26(23(30)16-20)38-24-10-9-19(14-21(24)29(22)11-13-36-28(31)34-29)33-27-25(8-5-12-32-27)37-17-18-6-3-2-4-7-18/h2-10,12,14-16H,11,13,17H2,1H3,(H2,31,34)(H,32,33) PIARLBQFYQLSSC-UHFFFAOYSA-N 220794 US9296759, 57 Beta-secretase 1 Homo sapiens 7290 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222790 329995800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386384 CCOc1cccnc1Nc1ccc2Oc3c(F)cc(OC)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C24H23FN4O4/c1-3-31-20-5-4-9-27-22(20)28-14-6-7-19-16(11-14)24(8-10-32-23(26)29-24)17-12-15(30-2)13-18(25)21(17)33-19/h4-7,9,11-13H,3,8,10H2,1-2H3,(H2,26,29)(H,27,28) SDQYMEUFNUKCHL-UHFFFAOYSA-N 220795 US9296759, 31 Beta-secretase 1 Homo sapiens 69.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 123165838 329995801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386385 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3[C@]3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C26H24N6O5/c1-34-23-13-29-20(11-30-23)24(33)31-16-4-5-21-17(9-16)26(6-8-36-25(27)32-26)18-10-19(28-12-22(18)37-21)15-3-2-7-35-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,27,32)(H,31,33)/t26-/m0/s1 NCRPESNIOMHVLM-SANMLTNESA-N 220766 US9296759, 58 Beta-secretase 1 Homo sapiens 9.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71542873 329995773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386386 Cc1ccc(nc1)C(=O)Nc1ccc2Oc3cnc(cc3[C@]3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C27H25N5O4/c1-16-4-6-21(29-13-16)25(33)31-18-5-7-23-19(11-18)27(8-10-35-26(28)32-27)20-12-22(30-14-24(20)36-23)17-3-2-9-34-15-17/h3-7,11-14H,2,8-10,15H2,1H3,(H2,28,32)(H,31,33)/t27-/m0/s1 PCVOAMKYAZLNTI-MHZLTWQESA-N 220767 US9296759, 59 Beta-secretase 1 Homo sapiens 3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117624181 329995774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386387 NC1=N[C@@]2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 InChI=1S/C26H21ClFN5O4/c27-15-1-3-19(30-13-15)24(34)31-16-2-4-21-17(11-16)26(7-10-36-25(29)33-26)18-12-20(14-5-8-35-9-6-14)32-23(28)22(18)37-21/h1-5,11-13H,6-10H2,(H2,29,33)(H,31,34)/t26-/m0/s1 RHRDPZBXIDGLJQ-SANMLTNESA-N 220768 US9296759, 63 Beta-secretase 1 Homo sapiens 1.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71542874 329995775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386388 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 InChI=1S/C27H21FN6O4/c28-24-23-19(12-21(33-24)16-5-8-36-9-6-16)27(7-10-37-26(30)34-27)18-11-17(2-4-22(18)38-23)32-25(35)20-3-1-15(13-29)14-31-20/h1-5,11-12,14H,6-10H2,(H2,30,34)(H,32,35) NBCZERPKOSFQLK-UHFFFAOYSA-N 220796 US9296759, 64 Beta-secretase 1 Homo sapiens 0.74 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105200 329995802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386389 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C26H23FN6O5/c1-35-21-13-29-19(12-30-21)24(34)31-15-2-3-20-16(10-15)26(6-9-37-25(28)33-26)17-11-18(14-4-7-36-8-5-14)32-23(27)22(17)38-20/h2-4,10-13H,5-9H2,1H3,(H2,28,33)(H,31,34) ZDWAJHAIIUUSPM-UHFFFAOYSA-N 220797 US9296759, 65 Beta-secretase 1 Homo sapiens 0.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105231 329995803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386390 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C26H23FN6O4S/c1-35-21-12-29-19(11-30-21)24(34)31-15-4-5-20-16(9-15)26(6-8-38-25(28)33-26)17-10-18(14-3-2-7-36-13-14)32-23(27)22(17)37-20/h3-5,9-12H,2,6-8,13H2,1H3,(H2,28,33)(H,31,34) PAYADDKJTAXUGJ-UHFFFAOYSA-N 220798 US9296759, 66 Beta-secretase 1 Homo sapiens 1.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105232 329995804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386391 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C26H23FN6O4S/c1-35-21-13-29-19(12-30-21)24(34)31-15-2-3-20-16(10-15)26(6-9-38-25(28)33-26)17-11-18(14-4-7-36-8-5-14)32-23(27)22(17)37-20/h2-4,10-13H,5-9H2,1H3,(H2,28,33)(H,31,34) VCIRIEUMQQAGKR-UHFFFAOYSA-N 220799 US9296759, 67 Beta-secretase 1 Homo sapiens 1.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105199 329995805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386392 NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 InChI=1S/C26H21ClFN5O3S/c27-15-3-5-19(30-12-15)24(34)31-16-4-6-21-17(10-16)26(7-9-37-25(29)33-26)18-11-20(14-2-1-8-35-13-14)32-23(28)22(18)36-21/h2-6,10-12H,1,7-9,13H2,(H2,29,33)(H,31,34) IAVGEYDFBMIOJJ-UHFFFAOYSA-N 220800 US9296759, 68 Beta-secretase 1 Homo sapiens 0.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105228 329995806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386393 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)-c1cncc(F)c1 InChI=1S/C27H17F2N7O3/c28-16-7-15(12-32-13-16)21-9-19-23(24(29)35-21)39-22-4-2-17(8-18(22)27(19)5-6-38-26(31)36-27)34-25(37)20-3-1-14(10-30)11-33-20/h1-4,7-9,11-13H,5-6H2,(H2,31,36)(H,34,37) AGBUUVQKXXLAQD-UHFFFAOYSA-N 220801 US9296759, 69 Beta-secretase 1 Homo sapiens 0.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105229 329995807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386394 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C26H19F2N7O4/c1-37-21-12-31-19(11-32-21)24(36)33-15-2-3-20-16(7-15)26(4-5-38-25(29)35-26)17-8-18(34-23(28)22(17)39-20)13-6-14(27)10-30-9-13/h2-3,6-12H,4-5H2,1H3,(H2,29,35)(H,33,36) WDVBAWZXAFBJCY-UHFFFAOYSA-N 220802 US9296759, 70 Beta-secretase 1 Homo sapiens 1.3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105230 329995808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386395 NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(Cl)cn3)ccc1Oc1c(F)nc(cc21)-c1cncc(F)c1 InChI=1S/C25H16ClF2N7O3/c26-20-11-31-18(10-32-20)23(36)33-14-1-2-19-15(6-14)25(3-4-37-24(29)35-25)16-7-17(34-22(28)21(16)38-19)12-5-13(27)9-30-8-12/h1-2,5-11H,3-4H2,(H2,29,35)(H,33,36) SVJIUHIYNROHEY-UHFFFAOYSA-N 220803 US9296759, 71 Beta-secretase 1 Homo sapiens 0.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222791 329995809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386396 NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1cccnc1 InChI=1S/C25H17F2N7O3/c26-20-12-30-18(11-31-20)23(35)32-14-3-4-19-15(8-14)25(5-7-36-24(28)34-25)16-9-17(13-2-1-6-29-10-13)33-22(27)21(16)37-19/h1-4,6,8-12H,5,7H2,(H2,28,34)(H,32,35) RRKACYDXWGEQOB-UHFFFAOYSA-N 220804 US9296759, 72 Beta-secretase 1 Homo sapiens 1.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222792 329995810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386397 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C26H24N6O5/c1-34-23-13-29-20(11-30-23)24(33)31-16-4-5-21-17(9-16)26(6-8-36-25(27)32-26)18-10-19(28-12-22(18)37-21)15-3-2-7-35-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,27,32)(H,31,33) NCRPESNIOMHVLM-UHFFFAOYSA-N 220805 US9296759, 58 Beta-secretase 1 Homo sapiens 9.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105197 329995811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386398 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(cc21)C1=CCCOC1 InChI=1S/C26H22ClN5O4/c27-16-3-5-20(29-12-16)24(33)31-17-4-6-22-18(10-17)26(7-9-35-25(28)32-26)19-11-21(30-13-23(19)36-22)15-2-1-8-34-14-15/h2-6,10-13H,1,7-9,14H2,(H2,28,32)(H,31,33) VGZNLSXRBXRNLG-UHFFFAOYSA-N 220806 US9296759, 59 Beta-secretase 1 Homo sapiens 3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105259 329995812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386399 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)C1CC1 InChI=1S/C24H20ClN5O3/c25-15-3-5-19(27-12-15)21(31)29-16-4-6-20-17(10-16)24(7-8-32-23(26)30-24)18-9-14(13-1-2-13)11-28-22(18)33-20/h3-6,9-13H,1-2,7-8H2,(H2,26,30)(H,29,31) WTFLBFWFBAZJJQ-UHFFFAOYSA-N 220807 US9296759, 73 Beta-secretase 1 Homo sapiens 12.7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105082 329995813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386400 COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(cn4)C#N)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C24H18FN5O4/c1-32-15-9-17-21(18(25)10-15)34-20-5-3-14(8-16(20)24(17)6-7-33-23(27)30-24)29-22(31)19-4-2-13(11-26)12-28-19/h2-5,8-10,12H,6-7H2,1H3,(H2,27,30)(H,29,31) HCANOTUEXNFTFI-UHFFFAOYSA-N 220808 US9296759, 74 Beta-secretase 1 Homo sapiens 10.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222793 329995814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386401 COc1cc(F)c2Oc3ccc(NC(=O)c4cnc(OC)cn4)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C23H20FN5O5/c1-31-13-8-15-20(16(24)9-13)34-18-4-3-12(7-14(18)23(15)5-6-33-22(25)29-23)28-21(30)17-10-27-19(32-2)11-26-17/h3-4,7-11H,5-6H2,1-2H3,(H2,25,29)(H,28,30) YYUFSNBIDOAJBK-UHFFFAOYSA-N 220809 US9296759, 75 Beta-secretase 1 Homo sapiens 95.3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222794 329995815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386402 COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(Cl)cc4F)cc3C3(CCOC(N)=N3)c2c1 InChI=1S/C24H18ClF2N3O4/c1-32-14-10-17-21(19(27)11-14)34-20-5-3-13(9-16(20)24(17)6-7-33-23(28)30-24)29-22(31)15-4-2-12(25)8-18(15)26/h2-5,8-11H,6-7H2,1H3,(H2,28,30)(H,29,31) HGOPCTNQRGCZFZ-UHFFFAOYSA-N 220810 US9296759, 76 Beta-secretase 1 Homo sapiens 181.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222795 329995816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386403 COc1ccc(C(=O)Nc2ccc3Oc4c(F)cc(OC)cc4C4(CCOC(N)=N4)c3c2)c(F)c1 InChI=1S/C25H21F2N3O5/c1-32-14-4-5-16(19(26)11-14)23(31)29-13-3-6-21-17(9-13)25(7-8-34-24(28)30-25)18-10-15(33-2)12-20(27)22(18)35-21/h3-6,9-12H,7-8H2,1-2H3,(H2,28,30)(H,29,31) XOXIZFJDEGLEMV-UHFFFAOYSA-N 220811 US9296759, 77 Beta-secretase 1 Homo sapiens 315 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222796 329995817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386404 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3[C@]3(CCOC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C27H24FN5O5/c1-35-17-3-4-20(30-14-17)25(34)31-16-2-5-22-18(12-16)27(8-11-37-26(29)33-27)19-13-21(15-6-9-36-10-7-15)32-24(28)23(19)38-22/h2-6,12-14H,7-11H2,1H3,(H2,29,33)(H,31,34)/t27-/m0/s1 ZXVUTPMCWBMAHM-MHZLTWQESA-N 220812 US9296759, 78 Beta-secretase 1 Homo sapiens 1.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71542622 329995818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386405 NC1=NC2(CCO1)c1cc(Cl)ncc1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc21 InChI=1S/C21H15Cl2N5O3/c22-11-1-3-15(25-9-11)19(29)27-12-2-4-16-13(7-12)21(5-6-30-20(24)28-21)14-8-18(23)26-10-17(14)31-16/h1-4,7-10H,5-6H2,(H2,24,28)(H,27,29) CKMFLDNKQHDLRU-UHFFFAOYSA-N 220813 US9296759, 79 Beta-secretase 1 Homo sapiens 38.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105084 329995819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386406 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)C1CC1 InChI=1S/C24H22N6O4/c1-32-21-12-27-18(10-28-21)22(31)29-14-4-5-19-15(8-14)24(6-7-33-23(25)30-24)16-9-17(13-2-3-13)26-11-20(16)34-19/h4-5,8-13H,2-3,6-7H2,1H3,(H2,25,30)(H,29,31) HAZFUSNJFVXKNU-UHFFFAOYSA-N 220814 US9296759, 80 Beta-secretase 1 Homo sapiens 6.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104892 329995820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386407 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(cc21)C1CC1 InChI=1S/C24H20ClN5O3/c25-14-3-5-18(27-11-14)22(31)29-15-4-6-20-16(9-15)24(7-8-32-23(26)30-24)17-10-19(13-1-2-13)28-12-21(17)33-20/h3-6,9-13H,1-2,7-8H2,(H2,26,30)(H,29,31) JFSCCWWMACKVSV-UHFFFAOYSA-N 220815 US9296759, 81 Beta-secretase 1 Homo sapiens 10.7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104893 329995821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386408 CC(C)(C)C#Cc1cc2c(Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22CCOC(N)=N2)cn1 InChI=1S/C27H24ClN5O3/c1-26(2,3)9-8-17-12-20-23(15-30-17)36-22-7-5-18(32-24(34)21-6-4-16(28)14-31-21)13-19(22)27(20)10-11-35-25(29)33-27/h4-7,12-15H,10-11H2,1-3H3,(H2,29,33)(H,32,34) PCMVRZAZIZIPGV-UHFFFAOYSA-N 220816 US9296759, 82 Beta-secretase 1 Homo sapiens 10 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105292 329995822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386409 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 InChI=1S/C26H21F2N5O4/c27-15-3-5-19(30-12-15)24(34)31-16-4-6-21-17(10-16)26(7-9-36-25(29)33-26)18-11-20(14-2-1-8-35-13-14)32-23(28)22(18)37-21/h2-6,10-12H,1,7-9,13H2,(H2,29,33)(H,31,34) IOQMOYXNVRUFHS-UHFFFAOYSA-N 220817 US9296759, 83 Beta-secretase 1 Homo sapiens 9.3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105293 329995823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386410 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C27H24FN5O5/c1-35-17-5-6-20(30-13-17)25(34)31-16-4-7-22-18(11-16)27(8-10-37-26(29)33-27)19-12-21(15-3-2-9-36-14-15)32-24(28)23(19)38-22/h3-7,11-13H,2,8-10,14H2,1H3,(H2,29,33)(H,31,34) NDRHFAIQADYTJE-UHFFFAOYSA-N 220818 US9296759, 84 Beta-secretase 1 Homo sapiens 0.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104669 329995824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386411 Cc1nc(cs1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C25H22FN5O4S/c1-13-28-19(12-36-13)23(32)29-15-4-5-20-16(9-15)25(6-8-34-24(27)31-25)17-10-18(14-3-2-7-33-11-14)30-22(26)21(17)35-20/h3-5,9-10,12H,2,6-8,11H2,1H3,(H2,27,31)(H,29,32) MGPXHFIZKRHPLU-UHFFFAOYSA-N 220819 US9296759, 85 Beta-secretase 1 Homo sapiens 0.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222797 329995825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386412 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)C#CC(C)(C)C InChI=1S/C27H26N6O4/c1-26(2,3)8-7-16-11-19-22(14-29-16)37-21-6-5-17(12-18(21)27(19)9-10-36-25(28)33-27)32-24(34)20-13-31-23(35-4)15-30-20/h5-6,11-15H,9-10H2,1-4H3,(H2,28,33)(H,32,34) LOXURQQPSULHKG-UHFFFAOYSA-N 220820 US9296759, 86 Beta-secretase 1 Homo sapiens 12 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104710 329995826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386413 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C27H20F2N6O4/c1-37-17-3-4-20(32-13-17)25(36)33-16-2-5-22-18(9-16)27(6-7-38-26(30)35-27)19-10-21(34-24(29)23(19)39-22)14-8-15(28)12-31-11-14/h2-5,8-13H,6-7H2,1H3,(H2,30,35)(H,33,36) PDWYMJRJIRDGSA-UHFFFAOYSA-N 220821 US9296759, 87 Beta-secretase 1 Homo sapiens 1.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104671 329995827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386414 Cc1nc(cs1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C25H18F2N6O3S/c1-12-30-19(11-37-12)23(34)31-15-2-3-20-16(7-15)25(4-5-35-24(28)33-25)17-8-18(32-22(27)21(17)36-20)13-6-14(26)10-29-9-13/h2-3,6-11H,4-5H2,1H3,(H2,28,33)(H,31,34) DYYRPFYTHNHYKD-UHFFFAOYSA-N 220822 US9296759, 88 Beta-secretase 1 Homo sapiens 0.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222798 329995828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386415 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1cncc(F)c1 InChI=1S/C26H17F3N6O3/c27-14-1-3-19(32-12-14)24(36)33-16-2-4-21-17(8-16)26(5-6-37-25(30)35-26)18-9-20(34-23(29)22(18)38-21)13-7-15(28)11-31-10-13/h1-4,7-12H,5-6H2,(H2,30,35)(H,33,36) OMCCDZRYVUOCOG-UHFFFAOYSA-N 220823 US9296759, 89 Beta-secretase 1 Homo sapiens 1.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222799 329995829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386416 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)-c1ccnc(F)c1 InChI=1S/C26H18ClFN6O3/c27-16-1-3-20(31-13-16)23(35)33-17-2-4-21-18(11-17)26(6-8-36-25(29)34-26)19-9-15(12-32-24(19)37-21)14-5-7-30-22(28)10-14/h1-5,7,9-13H,6,8H2,(H2,29,34)(H,33,35) YGCILFQDVBRHIG-UHFFFAOYSA-N 220824 US9296759, 90 Beta-secretase 1 Homo sapiens 3.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222800 329995830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386417 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 InChI=1S/C26H17ClF2N6O3/c27-14-1-3-18(32-12-14)24(36)33-15-2-4-20-16(10-15)26(6-8-37-25(30)35-26)17-11-19(34-23(29)22(17)38-20)13-5-7-31-21(28)9-13/h1-5,7,9-12H,6,8H2,(H2,30,35)(H,33,36) HWYYSRYILGPEMZ-UHFFFAOYSA-N 220825 US9296759, 91 Beta-secretase 1 Homo sapiens 0.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104711 329995831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386418 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C26H19F2N7O4/c1-37-21-12-31-18(11-32-21)24(36)33-14-2-3-19-15(9-14)26(5-7-38-25(29)35-26)16-10-17(34-23(28)22(16)39-19)13-4-6-30-20(27)8-13/h2-4,6,8-12H,5,7H2,1H3,(H2,29,35)(H,33,36) NCXCGCLQXXRRPD-UHFFFAOYSA-N 220826 US9296759, 92 Beta-secretase 1 Homo sapiens 1.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222801 329995832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386419 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C26H20FN7O4/c1-36-23-13-31-19(11-32-23)24(35)33-15-2-3-20-16(9-15)26(5-7-37-25(28)34-26)17-10-18(30-12-21(17)38-20)14-4-6-29-22(27)8-14/h2-4,6,8-13H,5,7H2,1H3,(H2,28,34)(H,33,35) HKAIMSNXTYMTRV-UHFFFAOYSA-N 220827 US9296759, 93 Beta-secretase 1 Homo sapiens 2.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222802 329995833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386420 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(cc21)-c1ccnc(F)c1 InChI=1S/C26H18ClFN6O3/c27-15-1-3-19(31-12-15)24(35)33-16-2-4-21-17(10-16)26(6-8-36-25(29)34-26)18-11-20(32-13-22(18)37-21)14-5-7-30-23(28)9-14/h1-5,7,9-13H,6,8H2,(H2,29,34)(H,33,35) YNZQZTWZKPFTLB-UHFFFAOYSA-N 220828 US9296759, 94 Beta-secretase 1 Homo sapiens 1.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222803 329995834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386421 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C27H20F2N6O4/c1-37-23-13-32-20(12-33-23)25(36)34-16-2-3-21-17(11-16)27(5-7-38-26(30)35-27)18-8-15(9-19(28)24(18)39-21)14-4-6-31-22(29)10-14/h2-4,6,8-13H,5,7H2,1H3,(H2,30,35)(H,34,36) ATQYSHBAXFRAKD-UHFFFAOYSA-N 220829 US9296759, 95 Beta-secretase 1 Homo sapiens 6.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222804 329995835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386422 COc1nc(cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1C21CCOC(N)=N1)C1=CCOCC1 InChI=1S/C27H24ClN5O5/c1-35-25-23-19(13-21(32-25)15-6-9-36-10-7-15)27(8-11-37-26(29)33-27)18-12-17(3-5-22(18)38-23)31-24(34)20-4-2-16(28)14-30-20/h2-6,12-14H,7-11H2,1H3,(H2,29,33)(H,31,34) VNHICBNFFRXDKN-UHFFFAOYSA-N 220830 US9296759, 62 Beta-secretase 1 Homo sapiens 7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600831 329995836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386423 COc1nc(cc2c1Oc1ccc(NC(=O)c3ccc(F)cn3)cc1C21CCOC(N)=N1)C1=CCOCC1 InChI=1S/C27H24FN5O5/c1-35-25-23-19(13-21(32-25)15-6-9-36-10-7-15)27(8-11-37-26(29)33-27)18-12-17(3-5-22(18)38-23)31-24(34)20-4-2-16(28)14-30-20/h2-6,12-14H,7-11H2,1H3,(H2,29,33)(H,31,34) GFWSMXIESZYKOW-UHFFFAOYSA-N 220831 US9296759, 96 Beta-secretase 1 Homo sapiens 25.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105036 329995837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386424 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 InChI=1S/C26H17F3N6O3/c27-14-1-3-18(32-12-14)24(36)33-15-2-4-20-16(10-15)26(6-8-37-25(30)35-26)17-11-19(34-23(29)22(17)38-20)13-5-7-31-21(28)9-13/h1-5,7,9-12H,6,8H2,(H2,30,35)(H,33,36) KVVSLKPYJIFFGD-UHFFFAOYSA-N 220832 US9296759, 97 Beta-secretase 1 Homo sapiens 1.2 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105035 329995838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386425 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C27H20F2N6O4/c1-37-16-3-4-19(32-13-16)25(36)33-15-2-5-21-17(11-15)27(7-9-38-26(30)35-27)18-12-20(34-24(29)23(18)39-21)14-6-8-31-22(28)10-14/h2-6,8,10-13H,7,9H2,1H3,(H2,30,35)(H,33,36) AYBGYGZHVQEVID-UHFFFAOYSA-N 220833 US9296759, 98 Beta-secretase 1 Homo sapiens 1.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105034 329995839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386426 Cc1nc(cs1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C25H18F2N6O3S/c1-12-30-18(11-37-12)23(34)31-14-2-3-19-15(9-14)25(5-7-35-24(28)33-25)16-10-17(32-22(27)21(16)36-19)13-4-6-29-20(26)8-13/h2-4,6,8-11H,5,7H2,1H3,(H2,28,33)(H,31,34) CODFYNFILGSWPT-UHFFFAOYSA-N 220834 US9296759, 99 Beta-secretase 1 Homo sapiens 0.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104935 329995840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386427 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 InChI=1S/C27H17F2N7O3/c28-22-9-15(5-7-32-22)20-11-18-23(24(29)35-20)39-21-4-2-16(10-17(21)27(18)6-8-38-26(31)36-27)34-25(37)19-3-1-14(12-30)13-33-19/h1-5,7,9-11,13H,6,8H2,(H2,31,36)(H,34,37) FUQKJMGBZPVNMC-UHFFFAOYSA-N 220835 US9296759, 100 Beta-secretase 1 Homo sapiens 0.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104936 329995841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386428 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C27H24FN5O4S/c1-35-17-3-4-20(30-14-17)25(34)31-16-2-5-22-18(12-16)27(8-11-38-26(29)33-27)19-13-21(15-6-9-36-10-7-15)32-24(28)23(19)37-22/h2-6,12-14H,7-11H2,1H3,(H2,29,33)(H,31,34) UQZZPLQDGJQLGT-UHFFFAOYSA-N 220836 US9296759, 101 Beta-secretase 1 Homo sapiens 1.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105032 329995842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386429 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCOC(N)=N3)c2c1)C1CCOCC1 InChI=1S/C27H26FN5O5/c1-35-23-14-30-21(13-31-23)25(34)32-17-2-3-22-18(12-17)27(6-9-37-26(29)33-27)19-10-16(11-20(28)24(19)38-22)15-4-7-36-8-5-15/h2-3,10-15H,4-9H2,1H3,(H2,29,33)(H,32,34) QNBUXZJSCLMXQO-UHFFFAOYSA-N 220837 US9296759, 61 Beta-secretase 1 Homo sapiens 32 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600872 329995843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386430 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1 InChI=1S/C27H18F3N5O3/c28-16-1-3-21(33-13-16)25(36)34-17-2-4-22-18(12-17)27(6-8-37-26(31)35-27)19-9-15(10-20(29)24(19)38-22)14-5-7-32-23(30)11-14/h1-5,7,9-13H,6,8H2,(H2,31,35)(H,34,36) RYYBKCUMVVMOBQ-UHFFFAOYSA-N 220838 US9296759, 102 Beta-secretase 1 Homo sapiens 8.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222805 329995844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386431 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C26H24N6O4S/c1-34-23-14-29-20(12-30-23)24(33)31-16-2-3-21-17(10-16)26(6-9-37-25(27)32-26)18-11-19(28-13-22(18)36-21)15-4-7-35-8-5-15/h2-4,10-14H,5-9H2,1H3,(H2,27,32)(H,31,33) KFXVRPUVEOJZQK-UHFFFAOYSA-N 220839 US9296759, 103 Beta-secretase 1 Homo sapiens 1.7 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105033 329995845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386432 COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C26H24N6O4S/c1-34-23-13-29-20(11-30-23)24(33)31-16-4-5-21-17(9-16)26(6-8-37-25(27)32-26)18-10-19(28-12-22(18)36-21)15-3-2-7-35-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,27,32)(H,31,33) AHQKKXXPHPBRNZ-UHFFFAOYSA-N 220840 US9296759, 104 Beta-secretase 1 Homo sapiens 3.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104937 329995846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386433 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)cc(O)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C23H19FN4O4S/c1-31-14-3-4-18(26-11-14)21(30)27-12-2-5-19-15(8-12)23(6-7-33-22(25)28-23)16-9-13(29)10-17(24)20(16)32-19/h2-5,8-11,29H,6-7H2,1H3,(H2,25,28)(H,27,30) ORIRAOZBBWMJBK-UHFFFAOYSA-N 220841 US9296759, 105 Beta-secretase 1 Homo sapiens 29.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222806 329995847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386434 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C27H24FN5O5/c1-35-23-13-30-21(12-31-23)25(34)32-17-4-5-22-18(11-17)27(6-8-37-26(29)33-27)19-9-16(10-20(28)24(19)38-22)15-3-2-7-36-14-15/h3-5,9-13H,2,6-8,14H2,1H3,(H2,29,33)(H,32,34) HTJRKXCAHDGRGW-UHFFFAOYSA-N 220842 US9296759, 106 Beta-secretase 1 Homo sapiens 6.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222807 329995848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386435 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCSC(N)=N3)c2c1)N1CCOCC1 InChI=1S/C27H26FN5O4S/c1-35-18-3-4-22(30-15-18)25(34)31-16-2-5-23-19(12-16)27(6-11-38-26(29)32-27)20-13-17(14-21(28)24(20)37-23)33-7-9-36-10-8-33/h2-5,12-15H,6-11H2,1H3,(H2,29,32)(H,31,34) UVLVBCGYIKGZBN-UHFFFAOYSA-N 220843 US9296759, 107 Beta-secretase 1 Homo sapiens 7.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222808 329995849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386436 NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1 InChI=1S/C28H18F2N6O3/c29-21-10-17(16-5-7-33-24(30)11-16)9-20-25(21)39-23-4-2-18(12-19(23)28(20)6-8-38-27(32)36-28)35-26(37)22-3-1-15(13-31)14-34-22/h1-5,7,9-12,14H,6,8H2,(H2,32,36)(H,35,37) ZDRUYZBHZVXKMP-UHFFFAOYSA-N 220844 US9296759, 108 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222809 329995850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386437 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(O)cc3C3(CCSC(N)=N3)c2c1 InChI=1S/C22H18FN5O4S/c1-31-18-10-25-16(9-26-18)20(30)27-11-2-3-17-13(6-11)22(4-5-33-21(24)28-22)14-7-12(29)8-15(23)19(14)32-17/h2-3,6-10,29H,4-5H2,1H3,(H2,24,28)(H,27,30) HJUXEBNQECCPRT-UHFFFAOYSA-N 220845 US9296759, 109 Beta-secretase 1 Homo sapiens 28.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600873 329995851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386438 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCSC(N)=N3)c2c1)N1CCOCC1 InChI=1S/C26H25FN6O4S/c1-35-22-14-29-20(13-30-22)24(34)31-15-2-3-21-17(10-15)26(4-9-38-25(28)32-26)18-11-16(12-19(27)23(18)37-21)33-5-7-36-8-6-33/h2-3,10-14H,4-9H2,1H3,(H2,28,32)(H,31,34) AVOQEJKNDWFUPD-UHFFFAOYSA-N 220846 US9296759, 110 Beta-secretase 1 Homo sapiens 15.3 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222810 329995852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386439 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C27H24FN5O4S/c1-35-23-14-30-21(13-31-23)25(34)32-17-2-3-22-18(12-17)27(6-9-38-26(29)33-27)19-10-16(11-20(28)24(19)37-22)15-4-7-36-8-5-15/h2-4,10-14H,5-9H2,1H3,(H2,29,33)(H,32,34) OGKGBAZSNHXPFU-UHFFFAOYSA-N 220847 US9296759, 60 Beta-secretase 1 Homo sapiens 6.2 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105291 329995853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386440 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 InChI=1S/C27H24FN5O4S/c1-35-17-5-6-20(30-13-17)25(34)31-16-4-7-22-18(11-16)27(8-10-38-26(29)33-27)19-12-21(15-3-2-9-36-14-15)32-24(28)23(19)37-22/h3-7,11-13H,2,8-10,14H2,1H3,(H2,29,33)(H,31,34) HRPUIVOMPDBGJT-UHFFFAOYSA-N 220848 US9296759, 111 Beta-secretase 1 Homo sapiens 2.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78105081 329995854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386441 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C26H19F2N7O3S/c1-37-21-12-31-19(11-32-21)24(36)33-15-2-3-20-16(7-15)26(4-5-39-25(29)35-26)17-8-18(34-23(28)22(17)38-20)13-6-14(27)10-30-9-13/h2-3,6-12H,4-5H2,1H3,(H2,29,35)(H,33,36) PEZGSBQHDVWHLU-UHFFFAOYSA-N 220849 US9296759, 112 Beta-secretase 1 Homo sapiens 2.8 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104938 329995855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386442 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C27H20F2N6O3S/c1-37-17-3-4-20(32-13-17)25(36)33-16-2-5-22-18(9-16)27(6-7-39-26(30)35-27)19-10-21(34-24(29)23(19)38-22)14-8-15(28)12-31-11-14/h2-5,8-13H,6-7H2,1H3,(H2,30,35)(H,33,36) OEBUTJACKFMNLS-UHFFFAOYSA-N 220850 US9296759, 113 Beta-secretase 1 Homo sapiens 1.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104939 329995856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386443 COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C26H19F2N7O3S/c1-37-21-12-31-18(11-32-21)24(36)33-14-2-3-19-15(9-14)26(5-7-39-25(29)35-26)16-10-17(34-23(28)22(16)38-19)13-4-6-30-20(27)8-13/h2-4,6,8-12H,5,7H2,1H3,(H2,29,35)(H,33,36) YIODLSULIVDPFS-UHFFFAOYSA-N 220851 US9296759, 114 Beta-secretase 1 Homo sapiens 3.1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104989 329995857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386444 COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1ccnc(F)c1 InChI=1S/C27H20F2N6O3S/c1-37-16-3-4-19(32-13-16)25(36)33-15-2-5-21-17(11-15)27(7-9-39-26(30)35-27)18-12-20(34-24(29)23(18)38-21)14-6-8-31-22(28)10-14/h2-6,8,10-13H,7,9H2,1H3,(H2,30,35)(H,33,36) ORGRRBHPTGGJBS-UHFFFAOYSA-N 220852 US9296759, 115 Beta-secretase 1 Homo sapiens 0.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104986 329995858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386445 NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 InChI=1S/C26H21F2N5O3S/c27-15-1-3-19(30-13-15)24(34)31-16-2-4-21-17(11-16)26(7-10-37-25(29)33-26)18-12-20(14-5-8-35-9-6-14)32-23(28)22(18)36-21/h1-5,11-13H,6-10H2,(H2,29,33)(H,31,34) FINWJLUWTWASNY-UHFFFAOYSA-N 220853 US9296759, 116 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104988 329995859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386446 NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 InChI=1S/C26H21ClFN5O3S/c27-15-1-3-19(30-13-15)24(34)31-16-2-4-21-17(11-16)26(7-10-37-25(29)33-26)18-12-20(14-5-8-35-9-6-14)32-23(28)22(18)36-21/h1-5,11-13H,6-10H2,(H2,29,33)(H,31,34) PYVGJOHOEJGACY-UHFFFAOYSA-N 220854 US9296759, 117 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104985 329995860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386447 NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 InChI=1S/C26H17F3N6O2S/c27-14-1-3-18(32-12-14)24(36)33-15-2-4-20-16(10-15)26(6-8-38-25(30)35-26)17-11-19(34-23(29)22(17)37-20)13-5-7-31-21(28)9-13/h1-5,7,9-12H,6,8H2,(H2,30,35)(H,33,36) FIRQOPFPZBHPRO-UHFFFAOYSA-N 220855 US9296759, 118 Beta-secretase 1 Homo sapiens 1.5 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78104987 329995861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386448 NC1=NC2(CCS1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 InChI=1S/C26H20ClF2N5O3S/c27-14-9-18(28)21(31-12-14)24(35)32-15-1-2-20-16(10-15)26(5-8-38-25(30)34-26)17-11-19(13-3-6-36-7-4-13)33-23(29)22(17)37-20/h1-3,9-12H,4-8H2,(H2,30,34)(H,32,35) IKNNQADYEZQTQZ-UHFFFAOYSA-N 220856 US9296759, 119 Beta-secretase 1 Homo sapiens 2.6 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222811 329995862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386449 Cc1cc(Br)cnc1C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C27H23BrFN5O3S/c1-14-10-16(28)13-31-22(14)25(35)32-17-2-3-21-18(11-17)27(6-9-38-26(30)34-27)19-12-20(15-4-7-36-8-5-15)33-24(29)23(19)37-21/h2-4,10-13H,5-9H2,1H3,(H2,30,34)(H,32,35) YQOWSSJEYDRXHY-UHFFFAOYSA-N 220857 US9296759, 120 Beta-secretase 1 Homo sapiens 1.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222812 329995863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386450 COc1cnc(C(=O)Nc2ccc3Oc4c(F)nc(cc4C4(CCSC(N)=N4)c3c2)C2=CCOCC2)c(C)c1 InChI=1S/C28H26FN5O4S/c1-15-11-18(36-2)14-31-23(15)26(35)32-17-3-4-22-19(12-17)28(7-10-39-27(30)34-28)20-13-21(16-5-8-37-9-6-16)33-25(29)24(20)38-22/h3-5,11-14H,6-10H2,1-2H3,(H2,30,34)(H,32,35) AINIEOARYIAFKL-UHFFFAOYSA-N 220858 US9296759, 121 Beta-secretase 1 Homo sapiens 5.4 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222813 329995864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 386451 Cc1cc(Cl)cnc1C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 InChI=1S/C27H23ClFN5O3S/c1-14-10-16(28)13-31-22(14)25(35)32-17-2-3-21-18(11-17)27(6-9-38-26(30)34-27)19-12-20(15-4-7-36-8-5-15)33-24(29)23(19)37-21/h2-4,10-13H,5-9H2,1H3,(H2,30,34)(H,32,35) GQRMAWUFGWRSKS-UHFFFAOYSA-N 220859 US9296759, 122 Beta-secretase 1 Homo sapiens 2.9 4.2 US Patent 10.7270/Q2348J7Q aid1802540 US9296759 White, R; Cheng, Y; Minatti, AE; Yang, B; Zheng, XM; Lopez, P; Human, JB; Epstein, O; Judd, T; Sham, K; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 124222814 329995865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404199 NC1=NC2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33) ZASOWXQELAKJDI-UHFFFAOYSA-N 231557 US9346827, 2 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164406 336950807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404200 NC1=N[C@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m1/s1 ZASOWXQELAKJDI-AREMUKBSSA-N 231558 US9346827, 13::US9346827, 17 Beta-secretase 1 Homo sapiens 139 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164515 336950808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404201 NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m0/s1 ZASOWXQELAKJDI-SANMLTNESA-N 50393095 CHEMBL2152910::US9346827, 14 Beta-secretase 1 Homo sapiens 0.5 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60144368 163342119 CHEMBL2152910 ZINC95576106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404202 NC1=N[C@@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 InChI=1S/C16H13BrClN3O2/c17-9-1-2-12-10(5-9)16(8-22-4-3-15(19)21-16)11-6-14(18)20-7-13(11)23-12/h1-2,5-7H,3-4,8H2,(H2,19,21)/t16-/m0/s1 BTAADMMHQXATHW-INIZCTEOSA-N 231559 US9346827, 3B Beta-secretase 1 Homo sapiens 3826 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164516 336950809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404203 NC1=N[C@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 InChI=1S/C16H13BrClN3O2/c17-9-1-2-12-10(5-9)16(8-22-4-3-15(19)21-16)11-6-14(18)20-7-13(11)23-12/h1-2,5-7H,3-4,8H2,(H2,19,21)/t16-/m1/s1 BTAADMMHQXATHW-MRXNPFEDSA-N 231560 US9346827, 3A Beta-secretase 1 Homo sapiens 9228 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164517 336950810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404204 CC(C)(C)COc1cc(F)c2Oc3ccc(cc3C3(COCCC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32) AFJAHDBTQQSSKB-UHFFFAOYSA-N 231561 US9346827, 4 Beta-secretase 1 Homo sapiens 1 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164518 336950811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404205 CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1 AFJAHDBTQQSSKB-MHZLTWQESA-N 50393096 CHEMBL2152911::US9346827, 15 Beta-secretase 1 Homo sapiens 0.5 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164519 163342120 CHEMBL2152911 ZINC95573567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404206 CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@]3(COCCC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m1/s1 AFJAHDBTQQSSKB-HHHXNRCGSA-N 231562 US9346827, 16 Beta-secretase 1 Homo sapiens 285 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164520 336950812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404207 NC1=N[C@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m1/s1 ZASOWXQELAKJDI-AREMUKBSSA-N 231558 US9346827, 13::US9346827, 17 Beta-secretase 1 Homo sapiens 369 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164515 336950808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404208 NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccc(F)c(F)c1)-c1cccnc1F InChI=1S/C27H19F3N4O2/c28-20-5-3-16(11-21(20)29)22-12-19-24(13-33-22)36-23-6-4-15(17-2-1-8-32-26(17)30)10-18(23)27(19)14-35-9-7-25(31)34-27/h1-6,8,10-13H,7,9,14H2,(H2,31,34)/t27-/m0/s1 FZEPIMGICCVKAI-MHZLTWQESA-N 231564 US9346827, 18 Beta-secretase 1 Homo sapiens 2 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89949987 336950813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 404209 NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C25H22F3N5O2/c26-23-16(2-1-7-30-23)15-3-4-19-17(10-15)25(14-34-9-5-21(29)32-25)18-11-22(31-12-20(18)35-19)33-8-6-24(27,28)13-33/h1-4,7,10-12H,5-6,8-9,13-14H2,(H2,29,32)/t25-/m0/s1 PGGQPKRZUDKACY-VWLOTQADSA-N 231565 US9346827, 19 Beta-secretase 1 Homo sapiens 3 4.2 US Patent 10.7270/Q2RN36Q1 aid1802877 US9346827 Dineen, T; Weiss, M; Patel, VF; Zheng, XM; White, R Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=231565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=231565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89949986 336950814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402948 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14ClF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 FGBKLHOHAIWKKJ-SFHVURJKSA-N 230865 US10045974, 1::US10603310, Compound 1::US9346797, 1 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317073 336950203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402949 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14F6N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 YODJQLZHGBACFL-SFHVURJKSA-N 230866 US10045974, 2::US10603310, Compound 2::US9346797, 2 Beta-secretase 1 Homo sapiens 23 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317085 336950204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402950 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZQKVKDGKIDOTQN-SFHVURJKSA-N 230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3 Beta-secretase 1 Homo sapiens 8.5 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317100 336950205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402951 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C17H15F5N4O2/c1-8-24-12(7-28-8)14(27)25-9-2-3-11(18)10(6-9)17(15(19)20)16(21,22)5-4-13(23)26-17/h2-3,6-7,15H,4-5H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 BWFWHBMZSDOQJG-KRWDZBQOSA-N 230868 US10045974, 4::US10603310, Compound 4::US9346797, 4 Beta-secretase 1 Homo sapiens 20 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317082 336950206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402952 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 PEEPRUHZLOVBDY-IBGZPJMESA-N 230869 US10045974, 13::US10603310, Compound 13::US9346797, 13::US9346797, 5 Beta-secretase 1 Homo sapiens 6.7 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317061 336950207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402953 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3cnc(cn3)C(F)F)ccc2F)C(F)(F)CC1 InChI=1S/C18H14F7N5O/c19-10-2-1-8(29-15(31)12-7-27-11(6-28-12)14(20)21)5-9(10)18(16(22)23)17(24,25)4-3-13(26)30-18/h1-2,5-7,14,16H,3-4H2,(H2,26,30)(H,29,31)/t18-/m0/s1 ISIOLQNTVCENIT-SFHVURJKSA-N 230870 US10045974, 6::US10603310, Compound 6::US9346797, 6 Beta-secretase 1 Homo sapiens 20 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317083 336950208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402954 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1 LVZMRYZGHRCXBS-IBGZPJMESA-N 230871 US10045974, 7::US10603310, Compound 7::US9346797, 7 Beta-secretase 1 Homo sapiens 7.4 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317086 336950209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402955 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C17H15F5N4OS/c1-8-7-28-14(24-8)13(27)25-9-2-3-11(18)10(6-9)17(15(19)20)16(21,22)5-4-12(23)26-17/h2-3,6-7,15H,4-5H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 FQFYIKGRQWRTRM-KRWDZBQOSA-N 230872 US10045974, 8::US10603310, Compound 8::US9346797, 8 Beta-secretase 1 Homo sapiens 71 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317059 336950210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402956 COc1cnc(nc1)C(=O)Oc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H15F5N4O3/c1-29-10-7-25-14(26-8-10)15(28)30-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)27-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,27)/t18-/m0/s1 SFPBLJAFFYMDGW-SFHVURJKSA-N 230873 US9346797, 9 Beta-secretase 1 Homo sapiens 6.9 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127053999 336950211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402957 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 InChI=1S/C19H18F5N5O2/c1-9-15(26-8-14(27-9)31-2)16(30)28-10-3-4-12(20)11(7-10)19(17(21)22)18(23,24)6-5-13(25)29-19/h3-4,7-8,17H,5-6H2,1-2H3,(H2,25,29)(H,28,30)/t19-/m0/s1 OXHGYPKMJMHUJT-IBGZPJMESA-N 230874 US10045974, 10::US10603310, Compound 10::US9346797, 10 Beta-secretase 1 Homo sapiens 16 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317105 336950212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402958 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 BMEKAAPGFZBYOC-FQEVSTJZSA-N 228170 (S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-cyano-3-methylpicolinamide (Compound 11)::BDBM230875::US10045974, 11::US10603310, Compound 11 Beta-secretase 1 Homo sapiens 7.8 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462651 375077113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402959 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 SCASMRHOWHFBAH-SFHVURJKSA-N 230876 US10045974, 12::US10603310, Compound 12::US9346797, 12 Beta-secretase 1 Homo sapiens 6.1 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317075 336950214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402960 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 PEEPRUHZLOVBDY-IBGZPJMESA-N 230869 US10045974, 13::US10603310, Compound 13::US9346797, 13::US9346797, 5 Beta-secretase 1 Homo sapiens 14 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317061 336950207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 402961 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZQKVKDGKIDOTQN-SFHVURJKSA-N 230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3 Beta-secretase 1 Homo sapiens 18 4.5 25.00 C US Patent 10.7270/Q25T3JC4 aid1802863 US9346797 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317100 336950205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410401 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ DXDRHHKMWQZJHT-FPYGCLRLSA-N 50042944 (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone::(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one::1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone::1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one::1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one::2',4',4-trihydroxychalcone::2',4,4'-trihydroxychalcone::2,4'-dihydroxy-4-hydroxychalcone::CHEMBL129795::Isoliquiritigenin (1)::cid_638278 Beta-secretase 1 Homo sapiens 3.300e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HCC 5YX4,1FP1,4RLU,6AJX,6AJV 638278 103974441 310312 CHEMBL129795 DB03285 C08650 ZINC03869608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410402 Oc1cccc(\C=C\C(=O)c2ccc(O)cc2O)c1 InChI=1S/C15H12O4/c16-11-3-1-2-10(8-11)4-7-14(18)13-6-5-12(17)9-15(13)19/h1-9,16-17,19H/b7-4+ WKMQGQZPDSFACZ-QPJJXVBHSA-N 50140168 (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-propen-1-one (2)::(E)-3,2'',4''-Trihydroxychalcone::CHEMBL1083821 Beta-secretase 1 Homo sapiens 8.03e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15680254 336952472 CHEMBL1083821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410403 Oc1ccc(C(=O)\C=C\c2ccccc2O)c(O)c1 InChI=1S/C15H12O4/c16-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b8-5+ MACMAADVRVVHBD-VMPITWQZSA-N 50027475 (E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (3)::2,2'',4''-Trihydroxychalcone::CHEMBL148472 Beta-secretase 1 Homo sapiens 2.45e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50027475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50027475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5811533 103936945 CHEMBL148472 ZINC05462733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410404 CCNO InChI=1S/C2H7NO/c1-2-3-4/h3-4H,2H2,1H3 VDUIPQNXOQMTBF-UHFFFAOYSA-N 235646 Hydroxyethylamine (HEA) Beta-secretase 1 Homo sapiens 49 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164700 340095307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410405 COc1ccccc1\C=C\C(=O)c1ccc(O)cc1O InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+ ODLVGCCGMXGMGZ-RMKNXTFCSA-N 235634 (E)-1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)-2-propen-1-one (4) Beta-secretase 1 Homo sapiens 2.63e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search A0R 6AJY 6161915 340095295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410406 Oc1ccc(C(=O)\C=C\c2ccccc2OCC=C)c(O)c1 InChI=1S/C18H16O4/c1-2-11-22-18-6-4-3-5-13(18)7-10-16(20)15-9-8-14(19)12-17(15)21/h2-10,12,19,21H,1,11H2/b10-7+ JOUAFGREHOHSPE-JXMROGBWSA-N 50027665 (E)-1-(2,4-dihydroxyphenyl)-3-(2-allyloxyphenyl)-2-propen-1-one (5)::CHEMBL3357534 Beta-secretase 1 Homo sapiens >6.0e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50027665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50027665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 101885313 103937134 CHEMBL3357534 ZINC27977373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410407 Oc1ccc(C(=O)\C=C\c2ccccc2Cl)c(O)c1 InChI=1S/C15H11ClO3/c16-13-4-2-1-3-10(13)5-8-14(18)12-7-6-11(17)9-15(12)19/h1-9,17,19H/b8-5+ HUJPOSGMEWSBGX-VMPITWQZSA-N 50360514 (E)-1-(2,4-dihydroxyphenyl)-3-(2-chlorophenyl)-2-propen-1-one (6)::CHEMBL1935203 Beta-secretase 1 Homo sapiens 1.140e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400130 136964576 CHEMBL1935203 ZINC73239842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410408 Oc1ccc(C(=O)\C=C\c2ccccc2[N+]([O-])=O)c(O)c1 InChI=1S/C15H11NO5/c17-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)16(20)21/h1-9,17,19H/b8-5+ PZNSXDODRVGONW-VMPITWQZSA-N 235635 (E)-1-(2,4-dihydroxyphenyl)-3-(2-nitrophenyl)-2-propen-1-one (7) Beta-secretase 1 Homo sapiens >6.0e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 12147209 340095296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410409 Oc1ccccc1\C=C\C(=O)c1ccccc1 InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+ UDOOPSJCRMKSGL-ZHACJKMWSA-N 86002 (E)-1-phenyl-3-(2-hydroxyphenyl)-2-propen-1-one (8)::Chalcone, 1 Beta-secretase 1 Homo sapiens >6.0e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5367146 136352102 ZINC03894725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410410 Oc1ccccc1\C=C\C(=O)c1ccccc1O InChI=1S/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+ KSHCTKZLHCSARH-MDZDMXLPSA-N 50015607 (E)-1-(2-hydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (9)::CHEMBL150755::D-501 Beta-secretase 1 Homo sapiens >6.0e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 638277 242041316 CHEMBL150755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410411 Oc1cccc(c1)C(=O)\C=C\c1ccccc1O InChI=1S/C15H12O3/c16-13-6-3-5-12(10-13)15(18)9-8-11-4-1-2-7-14(11)17/h1-10,16-17H/b9-8+ KAMRNYCNWDARJA-CMDGGOBGSA-N 235636 (E)-1-(3-hydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (10) Beta-secretase 1 Homo sapiens 3.04e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5885438 340095297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410412 Oc1ccc(cc1)C(=O)\C=C\c1ccccc1O InChI=1S/C15H12O3/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10,16-17H/b10-7+ PYXFBLHBGUOXFY-JXMROGBWSA-N 235637 (E)-1-(4-hydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (11) Beta-secretase 1 Homo sapiens 5.81e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5861624 340095298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410413 Oc1cccc(C(=O)\C=C\c2ccccc2O)c1O InChI=1S/C15H12O4/c16-12-6-2-1-4-10(12)8-9-13(17)11-5-3-7-14(18)15(11)19/h1-9,16,18-19H/b9-8+ HVYFGDLINYPWGI-CMDGGOBGSA-N 235638 (E)-1-(2,3-dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (12) Beta-secretase 1 Homo sapiens 2.18e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459219 340095299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410414 Oc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1O InChI=1S/C15H12O4/c16-11-6-8-15(19)12(9-11)14(18)7-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b7-5+ NXTSNFDLQUTBRV-FNORWQNLSA-N 50027481 (E)-1-(2,5-dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (13)::CHEMBL3335589 Beta-secretase 1 Homo sapiens 4.18e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50027481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50027481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5805298 103936951 CHEMBL3335589 ZINC40641227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408764 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H17F5N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 OKTQKJMRIBXJQN-ZWKOTPCHSA-N 234448 US10004738, 1::US9353084, 1 Beta-secretase 1 Homo sapiens 83 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307940 340094436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408765 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H17F5N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1 OKTQKJMRIBXJQN-QZTJIDSGSA-N 234449 US10004738, 2::US9353084, 2 Beta-secretase 1 Homo sapiens 210 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307923 340094437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408766 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 OTPYSIDSJNTMOG-ZWKOTPCHSA-N 234450 US10004738, 3::US9353084, 3 Beta-secretase 1 Homo sapiens 12 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307963 340094438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408767 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 VCVSZIBVXNPLJH-RBUKOAKNSA-N 234451 US10004738, 4::US9353084, 4 Beta-secretase 1 Homo sapiens 11 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307991 340094439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408768 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(30-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18+/m0/s1 HFGDZWAAFQJTRL-ZWKOTPCHSA-N 234452 US10004738, 5::US9353084, 5 Beta-secretase 1 Homo sapiens 18 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307957 340094440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408769 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C18H17F6N5O/c1-16(22)8-18(23,24)17(2,27-14(16)25)10-7-9(3-4-11(10)19)26-13(30)12-5-6-29(28-12)15(20)21/h3-7,15H,8H2,1-2H3,(H2,25,27)(H,26,30)/t16-,17+/m0/s1 NHAKNDZGVHHIEX-DLBZAZTESA-N 234453 US10004738, 6::US9353084, 6 Beta-secretase 1 Homo sapiens 19 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307910 340094441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408770 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-24-13(7-28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17+/m0/s1 UFLNEUNQYILWEH-DLBZAZTESA-N 234454 US10004738, 7::US9353084, 7 Beta-secretase 1 Homo sapiens 33 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307941 340094442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408771 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F InChI=1S/C17H16F4N4OS/c1-15(19)8-17(20,21)16(2,25-14(15)22)10-7-9(3-4-11(10)18)24-12(26)13-23-5-6-27-13/h3-7H,8H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16+/m0/s1 PZMYIHWMYVSDEE-JKSUJKDBSA-N 234455 US10004738, 8::US9353084, 8 Beta-secretase 1 Homo sapiens 66 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307953 340094443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408772 Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1 HOESHHMMCCAKCR-DLBZAZTESA-N 234456 US10004738, 9::US9353084, 9 Beta-secretase 1 Homo sapiens 100 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307976 340094444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408773 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C18H18F4N4OS/c1-9-7-28-14(24-9)13(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17+/m0/s1 JOQPMLZUFXKUND-DLBZAZTESA-N 234457 US10004738, 10::US9353084, 10 Beta-secretase 1 Homo sapiens 44 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307983 340094445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408774 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H17F7N4O/c1-17(22)9-19(23,24)18(2,31-16(17)28)12-7-11(4-5-13(12)21)30-15(32)14-6-3-10(8-29-14)20(25,26)27/h3-8H,9H2,1-2H3,(H2,28,31)(H,30,32)/t17-,18+/m0/s1 ZAMLOFZOUSOLCR-ZWKOTPCHSA-N 234458 US10004738, 11::US9353084, 11 Beta-secretase 1 Homo sapiens 63 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307988 340094446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408775 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)12-6-10(4-5-13(12)20)27-15(29)14-25-7-11(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18+/m0/s1 RFYVGRKMWIRDAM-ZWKOTPCHSA-N 234459 US10004738, 12::US9353084, 12 Beta-secretase 1 Homo sapiens 29 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307962 340094447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408776 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17+/m0/s1 AZEVOUFIGCGOAJ-DLBZAZTESA-N 234460 US10004738, 13::US9353084, 13 Beta-secretase 1 Homo sapiens 28 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307965 340094448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408777 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1 VXSCRCDTZOWMAO-DLBZAZTESA-N 234461 US10004738, 14::US9353084, 14 Beta-secretase 1 Homo sapiens 37 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307933 340094449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408778 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F InChI=1S/C18H17F5N4OS/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1 NSOJAQHWGSHYBF-DLBZAZTESA-N 234462 US10004738, 15::US9353084, 15 Beta-secretase 1 Homo sapiens 46 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307915 340094450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408779 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H17F6N5O/c1-17(23)8-19(24,25)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)13-7-27-12(6-28-13)14(21)22/h3-7,14H,8H2,1-2H3,(H2,26,30)(H,29,31)/t17-,18+/m0/s1 NGGJLXQTUJENAA-ZWKOTPCHSA-N 234463 US10004738, 16::US9353084, 16 Beta-secretase 1 Homo sapiens 58 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307906 340094451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408780 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1 YWLRPFXPTFLZDK-RBUKOAKNSA-N 234464 US10004738, 48::US9353084, 17 Beta-secretase 1 Homo sapiens 11 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307943 340094452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408781 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 YQEYIBBJTJIMBM-VQTJNVASSA-N 234465 US10004738, 18::US9353084, 18 Beta-secretase 1 Homo sapiens 4.3 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91827634 340094453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408782 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)n1 InChI=1S/C20H21F4N5O2/c1-10-15(26-8-14(27-10)31-4)16(30)28-11-5-6-13(21)12(7-11)19(3)20(23,24)9-18(2,22)17(25)29-19/h5-8H,9H2,1-4H3,(H2,25,29)(H,28,30)/t18-,19+/m0/s1 QIJVGCAOVFBXFY-RBUKOAKNSA-N 234466 US10004738, 19::US9353084, 19 Beta-secretase 1 Homo sapiens 32 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307959 340094454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408783 Cc1nnc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C17H17F4N5O2/c1-8-25-26-13(28-8)12(27)23-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)24-16/h4-6H,7H2,1-3H3,(H2,22,24)(H,23,27)/t15-,16+/m0/s1 ZXEUQJAXUTWMOI-JKSUJKDBSA-N 234467 US10004738, 20::US9353084, 20 Beta-secretase 1 Homo sapiens 1600 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307982 340094455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408784 Cc1noc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C17H17F4N5O2/c1-8-23-13(28-26-8)12(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16+/m0/s1 SUTNBTCNHDOKDD-JKSUJKDBSA-N 234468 US10004738, 21::US9353084, 21 Beta-secretase 1 Homo sapiens 58 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307904 340094456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408785 Cn1cnc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C17H18F4N6O/c1-15(19)7-17(20,21)16(2,25-14(15)22)10-6-9(4-5-11(10)18)24-13(28)12-23-8-27(3)26-12/h4-6,8H,7H2,1-3H3,(H2,22,25)(H,24,28)/t15-,16+/m0/s1 ZADSHEURMUBVAC-JKSUJKDBSA-N 234469 US10004738, 22::US9353084, 22 Beta-secretase 1 Homo sapiens 110 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307985 340094457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408786 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C18H17F6N5O/c1-16(22)8-18(23,24)17(2,27-14(16)25)10-7-9(3-4-11(10)19)26-13(30)12-5-6-29(28-12)15(20)21/h3-7,15H,8H2,1-2H3,(H2,25,27)(H,26,30)/t16-,17-/m1/s1 NHAKNDZGVHHIEX-IAGOWNOFSA-N 234470 US10004738, 23::US9353084, 23 Beta-secretase 1 Homo sapiens 71 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307920 340094458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408787 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H17F6N5O/c1-17(23)8-19(24,25)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)13-7-27-12(6-28-13)14(21)22/h3-7,14H,8H2,1-2H3,(H2,26,30)(H,29,31)/t17-,18-/m1/s1 NGGJLXQTUJENAA-QZTJIDSGSA-N 234471 US10004738, 24::US9353084, 24 Beta-secretase 1 Homo sapiens 420 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307911 340094459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408788 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(30-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1 HFGDZWAAFQJTRL-QZTJIDSGSA-N 234472 US10004738, 25::US9353084, 25 Beta-secretase 1 Homo sapiens 130 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307917 340094460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408789 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)12-6-10(4-5-13(12)20)27-15(29)14-25-7-11(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1 RFYVGRKMWIRDAM-QZTJIDSGSA-N 234473 US10004738, 26::US9353084, 26 Beta-secretase 1 Homo sapiens 130 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307958 340094461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408790 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4OS/c1-9-7-28-14(24-9)13(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1 JOQPMLZUFXKUND-IAGOWNOFSA-N 234474 US10004738, 27::US9353084, 27 Beta-secretase 1 Homo sapiens 140 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307951 340094462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408791 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H17F7N4O/c1-17(22)9-19(23,24)18(2,31-16(17)28)12-7-11(4-5-13(12)21)30-15(32)14-6-3-10(8-29-14)20(25,26)27/h3-8H,9H2,1-2H3,(H2,28,31)(H,30,32)/t17-,18-/m1/s1 ZAMLOFZOUSOLCR-QZTJIDSGSA-N 234475 US10004738, 28::US9353084, 28 Beta-secretase 1 Homo sapiens 170 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307938 340094463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408792 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17-/m1/s1 AZEVOUFIGCGOAJ-IAGOWNOFSA-N 234476 US10004738, 29::US9353084, 29 Beta-secretase 1 Homo sapiens 92 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307978 340094464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408793 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17-/m1/s1 VXSCRCDTZOWMAO-IAGOWNOFSA-N 234477 US10004738, 30::US9353084, 30 Beta-secretase 1 Homo sapiens 260 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307955 340094465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408794 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F InChI=1S/C18H17F5N4OS/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17-/m1/s1 NSOJAQHWGSHYBF-IAGOWNOFSA-N 234478 US10004738, 31::US9353084, 31 Beta-secretase 1 Homo sapiens 92 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307913 340094466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408795 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m1/s1 VCVSZIBVXNPLJH-RTBURBONSA-N 234479 US10004738, 32::US9353084, 32 Beta-secretase 1 Homo sapiens 51 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307990 340094467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408796 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1 OTPYSIDSJNTMOG-QZTJIDSGSA-N 234480 US10004738, 33::US9353084, 33 Beta-secretase 1 Homo sapiens 62 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307925 340094468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408797 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-24-13(7-28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1 UFLNEUNQYILWEH-IAGOWNOFSA-N 234481 US10004738, 34::US9353084, 34 Beta-secretase 1 Homo sapiens 210 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307954 340094469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408798 Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C17H17F4N5O2/c1-8-23-12(26-28-8)13(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16-/m1/s1 WMKOPKSKWBVFKU-HZPDHXFCSA-N 234482 US10004738, 35::US9353084, 35 Beta-secretase 1 Homo sapiens 680 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307989 340094470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408799 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F InChI=1S/C17H16F4N4OS/c1-15(19)8-17(20,21)16(2,25-14(15)22)10-7-9(3-4-11(10)18)24-12(26)13-23-5-6-27-13/h3-7H,8H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16-/m1/s1 PZMYIHWMYVSDEE-HZPDHXFCSA-N 234483 US10004738, 36::US9353084, 36 Beta-secretase 1 Homo sapiens 390 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307914 340094471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408800 Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17-/m1/s1 HOESHHMMCCAKCR-IAGOWNOFSA-N 234484 US10004738, 37::US9353084, 37 Beta-secretase 1 Homo sapiens 420 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307981 340094472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408801 Cc1cn(C)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H21F4N5O/c1-10-8-28(4)14(25-10)15(29)26-11-5-6-13(20)12(7-11)18(3)19(22,23)9-17(2,21)16(24)27-18/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,29)/t17-,18-/m1/s1 BXYUHPWNQCGGDU-QZTJIDSGSA-N 234485 US10004738, 38::US9353084, 38 Beta-secretase 1 Homo sapiens 1000 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307952 340094473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408802 Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H19F4N5O/c1-16(20)9-18(21,22)17(2,25-15(16)23)11-8-10(4-5-12(11)19)24-14(28)13-6-7-27(3)26-13/h4-8H,9H2,1-3H3,(H2,23,25)(H,24,28)/t16-,17-/m1/s1 RRZWWULQZFQDCP-IAGOWNOFSA-N 234486 US10004738, 39::US9353084, 39 Beta-secretase 1 Homo sapiens 4800 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307984 340094474 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408803 Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-6-13(28-26-9)14(27)24-10-4-5-12(19)11(7-10)17(3)18(21,22)8-16(2,20)15(23)25-17/h4-7H,8H2,1-3H3,(H2,23,25)(H,24,27)/t16-,17-/m1/s1 CHSNPRBZZZJYHX-IAGOWNOFSA-N 234487 US10004738, 40::US9353084, 40 Beta-secretase 1 Homo sapiens 8200 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307977 340094475 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408804 Cc1ccc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H19F4N3O2/c1-10-4-7-14(28-10)15(27)25-11-5-6-13(20)12(8-11)18(3)19(22,23)9-17(2,21)16(24)26-18/h4-8H,9H2,1-3H3,(H2,24,26)(H,25,27)/t17-,18-/m1/s1 UMBJREUTONPUSK-QZTJIDSGSA-N 234488 US10004738, 41::US9353084, 41 Beta-secretase 1 Homo sapiens 520 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307909 340094476 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408805 Cc1ncc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-24-7-13(28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1 VBCSAZLAPMXFSR-IAGOWNOFSA-N 234489 US10004738, 42::US9353084, 42 Beta-secretase 1 Homo sapiens 1500 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307950 340094477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408806 COc1ccc(cc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C21H21F4N3O2/c1-19(23)11-21(24,25)20(2,28-18(19)26)15-10-13(6-9-16(15)22)27-17(29)12-4-7-14(30-3)8-5-12/h4-10H,11H2,1-3H3,(H2,26,28)(H,27,29)/t19-,20-/m1/s1 WRQARLNDTRWDLT-WOJBJXKFSA-N 234495 US9353084, 43 Beta-secretase 1 Homo sapiens 91 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129010842 340094483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408807 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C20H18ClF4N3O/c1-18(23)10-20(24,25)19(2,28-17(18)26)14-9-13(7-8-15(14)22)27-16(29)11-3-5-12(21)6-4-11/h3-9H,10H2,1-2H3,(H2,26,28)(H,27,29)/t18-,19-/m1/s1 MGSJYJDBSCSZJE-RTBURBONSA-N 234490 US10004738, 44::US9353084, 44 Beta-secretase 1 Homo sapiens 740 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307964 340094478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408808 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H18F6N4O2/c1-18(24)9-20(25,26)19(2,30-16(18)27)12-7-10(3-5-13(12)21)29-15(31)14-6-4-11(8-28-14)32-17(22)23/h3-8,17H,9H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1 ISOMMQYAKXKVIU-RBUKOAKNSA-N 234491 US10004738, 45::US9353084, 45 Beta-secretase 1 Homo sapiens 14 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307967 340094479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410415 Oc1ccccc1\C=C\C(=O)c1c(O)cccc1O InChI=1S/C15H12O4/c16-11-5-2-1-4-10(11)8-9-14(19)15-12(17)6-3-7-13(15)18/h1-9,16-18H/b9-8+ XENAJIPPWSRKAK-CMDGGOBGSA-N 235639 (E)-1-(2,6-dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (14) Beta-secretase 1 Homo sapiens 1.56e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129010896 340095300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410416 Oc1ccc(cc1O)C(=O)\C=C\c1ccccc1O InChI=1S/C15H12O4/c16-12-4-2-1-3-10(12)5-7-13(17)11-6-8-14(18)15(19)9-11/h1-9,16,18-19H/b7-5+ RPPMXVFLYLWWHN-FNORWQNLSA-N 235640 (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (15) Beta-secretase 1 Homo sapiens 1.18e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462728 340095301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410417 Oc1cc(O)cc(c1)C(=O)\C=C\c1ccccc1O InChI=1S/C15H12O4/c16-12-7-11(8-13(17)9-12)15(19)6-5-10-3-1-2-4-14(10)18/h1-9,16-18H/b6-5+ AKGSMYHCDNKNAA-AATRIKPKSA-N 235641 (E)-1-(3,5-dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one (16) Beta-secretase 1 Homo sapiens 1.94e+4 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121005083 340095302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410418 Oc1ccc(C(=O)\C=C\c2cccc(O)c2O)c(O)c1 InChI=1S/C15H12O5/c16-10-5-6-11(14(19)8-10)12(17)7-4-9-2-1-3-13(18)15(9)20/h1-8,16,18-20H/b7-4+ IUKUGGBBLOTFNV-QPJJXVBHSA-N 235642 (E)-1-(2,4-dihydroxyphenyl)-3-(2,3-dihydroxyphenyl)-2-propen-1-one (17) Beta-secretase 1 Homo sapiens 2.7e+2 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53484158 340095303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410419 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)c(O)c1 InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+ ZWTDXYUDJYDHJR-QHHAFSJGSA-N 50203985 (E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl)-2-propen-1-one (18)::2,2',4,4'-tetrahydroxychalcone::2,4,2',4'-tetrahydroxychalcone::CHEMBL394855 Beta-secretase 1 Homo sapiens 6.2e+2 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10107266 104082926 CHEMBL394855 C18089 ZINC14726082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410420 Oc1ccc(C(=O)\C=C\c2cc(O)ccc2O)c(O)c1 InChI=1S/C15H12O5/c16-10-3-6-13(18)9(7-10)1-5-14(19)12-4-2-11(17)8-15(12)20/h1-8,16-18,20H/b5-1+ SCYSZHQHDOOZQM-ORCRQEGFSA-N 235643 (E)-1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)-2-propen-1-one (19) Beta-secretase 1 Homo sapiens 1.94e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10564085 340095304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410421 Oc1ccc(C(=O)\C=C\c2c(O)cccc2O)c(O)c1 InChI=1S/C15H12O5/c16-9-4-5-11(15(20)8-9)14(19)7-6-10-12(17)2-1-3-13(10)18/h1-8,16-18,20H/b7-6+ JWXJWHKQWWWFFS-VOTSOKGWSA-N 235644 (E)-1-(2,4-dihydroxyphenyl)-3-(2,6-dihydroxyphenyl)-2-propen-1-one (20) Beta-secretase 1 Homo sapiens 1.71e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53484159 340095305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410422 Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1 InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+ AYMYWHCQALZEGT-ORCRQEGFSA-N 50042949 (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one (21)::(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one::(E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone::3,4,2',4'-tetrahydroxychalone::3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone::Butein::CHEMBL128000 Beta-secretase 1 Homo sapiens 2.37e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUN 4RLW 5281222 103974446 3237 CHEMBL128000 C08578 ZINC12428433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 410423 Oc1ccc(C(=O)\C=C\c2cc(O)cc(O)c2)c(O)c1 InChI=1S/C15H12O5/c16-10-2-3-13(15(20)8-10)14(19)4-1-9-5-11(17)7-12(18)6-9/h1-8,16-18,20H/b4-1+ ZSMOFGFLBCKTKA-DAFODLJHSA-N 235645 (E)-1-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-2-propen-1-one (22) Beta-secretase 1 Homo sapiens 2.08e+3 4.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2010.543420 10.7270/Q2DR2TCJ 21222511 aid1803028 Ma, L; Yang, Z; Li, C; Zhu, Z; Shen, X; Hu, L Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42607520 340095306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408809 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(F)c1 InChI=1S/C20H19F5N4O2/c1-18(23)9-20(24,25)19(2,29-17(18)26)12-6-10(4-5-13(12)21)28-16(30)15-14(22)7-11(31-3)8-27-15/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 KGWKKESEYVBROW-RBUKOAKNSA-N 234492 US10004738, 46::US9353084, 46 Beta-secretase 1 Homo sapiens 14 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307916 340094480 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408810 Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)o1 InChI=1S/C19H20F4N4O2/c1-9-14(25-10(2)29-9)15(28)26-11-5-6-13(20)12(7-11)18(4)19(22,23)8-17(3,21)16(24)27-18/h5-7H,8H2,1-4H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 ANSIAVPOQGVLFC-ZWKOTPCHSA-N 234493 US10004738, 47::US9353084, 47 Beta-secretase 1 Homo sapiens 65 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307972 340094481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408811 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)c1 InChI=1S/C21H22F4N4O2/c1-11-7-13(31-4)9-27-16(11)17(30)28-12-5-6-15(22)14(8-12)20(3)21(24,25)10-19(2,23)18(26)29-20/h5-9H,10H2,1-4H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1 GTKWFLVMGQRFRG-VQTJNVASSA-N 234496 US9353084, 48 Beta-secretase 1 Homo sapiens 14 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129010843 340094484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408812 Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C20H19F5N4O/c1-10-6-11(21)8-27-15(10)16(30)28-12-4-5-14(22)13(7-12)19(3)20(24,25)9-18(2,23)17(26)29-19/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 JZWNILHOEJVHHZ-RBUKOAKNSA-N 234494 US10004738, 49::US9353084, 49 Beta-secretase 1 Homo sapiens 60 4.5 US Patent 10.7270/Q2MG7NDX aid1803002 US9353084 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307926 340094482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408836 CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1 InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27) PSNGTIQWNUJCAN-UHFFFAOYSA-N 234576 US9353089, Table 8, Compound 1 Beta-secretase 1 Homo sapiens 2300 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44530662 340094564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408837 COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25) QFSACLHXUZDWGE-UHFFFAOYSA-N 234497 US9353089, 117 Beta-secretase 1 Homo sapiens 12000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73671287 340094485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408838 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24) JQYYZEGXJPYRRZ-UHFFFAOYSA-N 234520 US9353089, 176 Beta-secretase 1 Homo sapiens 10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76317507 340094508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408839 COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1 InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29) QOGWENXQKQHNGY-UHFFFAOYSA-N 234527 US9353089, 206 Beta-secretase 1 Homo sapiens 6010 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76332089 340094515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408840 COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25) KKROSRYNPGAQGH-UHFFFAOYSA-N 234541 US9353089, 275 Beta-secretase 1 Homo sapiens 2070 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76310284 340094529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408841 COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1 InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25) CFOCZHLGHZFLCC-UHFFFAOYSA-N 234501 US9353089, 128 Beta-secretase 1 Homo sapiens 28900 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76310285 340094489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408842 COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30) IJSKTUPILCNGRO-UHFFFAOYSA-N 234517 US9353089, 171 Beta-secretase 1 Homo sapiens 7150 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76332086 340094505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408843 N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29) BBOMNCJNDYMIAI-UHFFFAOYSA-N 234503 US9353089, 136 Beta-secretase 1 Homo sapiens 1680 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76332087 340094491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408871 CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24) PNSQCPQDRVOKMA-UHFFFAOYSA-N 234502 US9353089, 135 Beta-secretase 1 Homo sapiens 1680 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KP 4DJW 11359820 340094490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408872 N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29) BBOMNCJNDYMIAI-UHFFFAOYSA-N 234503 US9353089, 136 Beta-secretase 1 Homo sapiens 18100 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76332087 340094491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408873 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)c1ccccc1 InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25) LRYKHTDVFXMHEH-UHFFFAOYSA-N 234554 US9353089, 327 Beta-secretase 1 Homo sapiens 392 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KM 4DJV 11581511 340094542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408874 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C28H29N3O2/c1-33-25-17-9-11-21(19-25)20-10-8-14-23(18-20)28(22-12-4-2-5-13-22)26(32)31(27(29)30-28)24-15-6-3-7-16-24/h2,4-5,8-14,17-19,24H,3,6-7,15-16H2,1H3,(H2,29,30) GRHXGIBGTCXXSD-UHFFFAOYSA-N 234553 US9353089, 326 Beta-secretase 1 Homo sapiens 9000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273117 340094541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408875 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29) ZJGDHDGFYURDGA-UHFFFAOYSA-N 234551 US9353089, 324 Beta-secretase 1 Homo sapiens 2460 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273112 340094539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408876 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)C1CC1 InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22) NCNMSGOJBLVCOM-UHFFFAOYSA-N 234557 US9353089, 330 Beta-secretase 1 Homo sapiens 278 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262421 340094545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408877 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1 InChI=1S/C25H29N3O2/c1-30-22-12-6-8-18(16-22)17-7-5-9-20(15-17)25(19-13-14-19)23(29)28(24(26)27-25)21-10-3-2-4-11-21/h5-9,12,15-16,19,21H,2-4,10-11,13-14H2,1H3,(H2,26,27) XHQIVBKVZTWKFJ-UHFFFAOYSA-N 234555 US9353089, 328 Beta-secretase 1 Homo sapiens 7000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273364 340094543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408878 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1 InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26) HGHAKYGFTGHRPR-UHFFFAOYSA-N 234556 US9353089, 329 Beta-secretase 1 Homo sapiens 4000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273369 340094544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408955 N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1ccccc1 InChI=1S/C21H23N3O/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(25)24(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23) LEKJIUIIENTICB-UHFFFAOYSA-N 234498 US9353089, 100 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44530523 340094486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408956 COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25) QFSACLHXUZDWGE-UHFFFAOYSA-N 234497 US9353089, 117 Beta-secretase 1 Homo sapiens 12000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73671287 340094485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408957 COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1 InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25) CFOCZHLGHZFLCC-UHFFFAOYSA-N 234501 US9353089, 128 Beta-secretase 1 Homo sapiens 28900 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76310285 340094489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408958 N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29) BBOMNCJNDYMIAI-UHFFFAOYSA-N 234503 US9353089, 136 Beta-secretase 1 Homo sapiens 18100 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76332087 340094491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408959 COc1ccc(cc1)C1(NC(=N)N(C2CC2)C1=O)c1ccc(OC)cc1 InChI=1S/C20H21N3O3/c1-25-16-9-3-13(4-10-16)20(14-5-11-17(26-2)12-6-14)18(24)23(15-7-8-15)19(21)22-20/h3-6,9-12,15H,7-8H2,1-2H3,(H2,21,22) QEECLDLWKAKOTC-UHFFFAOYSA-N 234511 US9353089, 158 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76321236 340094499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408960 COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30) IJSKTUPILCNGRO-UHFFFAOYSA-N 234517 US9353089, 171 Beta-secretase 1 Homo sapiens 7150 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76332086 340094505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408961 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24) JQYYZEGXJPYRRZ-UHFFFAOYSA-N 234520 US9353089, 176 Beta-secretase 1 Homo sapiens 10100 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76317507 340094508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408962 COc1ccc(cc1)C1(NC(=N)N(CC2CCCCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C24H29N3O3/c1-29-20-12-8-18(9-13-20)24(19-10-14-21(30-2)15-11-19)22(28)27(23(25)26-24)16-17-6-4-3-5-7-17/h8-15,17H,3-7,16H2,1-2H3,(H2,25,26) OJQMFTWVKXBCBC-UHFFFAOYSA-N 234535 US9353089, 221 Beta-secretase 1 Homo sapiens 6010 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76310283 340094523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408963 COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1 InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25) KKROSRYNPGAQGH-UHFFFAOYSA-N 234541 US9353089, 275 Beta-secretase 1 Homo sapiens 2070 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76310284 340094529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408964 COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1 InChI=1S/C28H33N3O3/c1-33-23-7-3-21(4-8-23)28(22-5-9-24(34-2)10-6-22)25(32)31(26(29)30-28)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H2,29,30) AWHOQSPPRQUTAN-UHFFFAOYSA-N 234542 US9353089, 276 Beta-secretase 1 Homo sapiens 7850 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600329 340094530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408965 COc1ccc(cc1)C1(NC(=N)N(Cc2ncccc2C)C1=O)c1ccc(OC)cc1 InChI=1S/C24H24N4O3/c1-16-5-4-14-26-21(16)15-28-22(29)24(27-23(28)25,17-6-10-19(30-2)11-7-17)18-8-12-20(31-3)13-9-18/h4-14H,15H2,1-3H3,(H2,25,27) VJBSTWFHQGETPG-UHFFFAOYSA-N 234545 US9353089, 302 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86275288 340094533 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408966 COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1 InChI=1S/C25H22N4O3/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(30)29(24(27)28-25)16-18-6-4-3-5-17(18)15-26/h3-14H,16H2,1-2H3,(H2,27,28) YZQVDBNBXVVWJA-UHFFFAOYSA-N 234567 US9353089, 305 Beta-secretase 1 Homo sapiens 6700 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117599905 340094555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408967 COc1ccc(cc1)C1(NC(=N)N(CC2CCN(C)CC2)C1=O)c1ccc(OC)cc1 InChI=1S/C24H30N4O3/c1-27-14-12-17(13-15-27)16-28-22(29)24(26-23(28)25,18-4-8-20(30-2)9-5-18)19-6-10-21(31-3)11-7-19/h4-11,17H,12-16H2,1-3H3,(H2,25,26) PHZRLBVSRGEZTQ-UHFFFAOYSA-N 234548 US9353089, 308 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86274800 340094536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408968 COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(C)=O)C1=O)c1ccc(OC)cc1 InChI=1S/C24H28N4O4/c1-16(29)27-14-12-19(13-15-27)28-22(30)24(26-23(28)25,17-4-8-20(31-2)9-5-17)18-6-10-21(32-3)11-7-18/h4-11,19H,12-15H2,1-3H3,(H2,25,26) FBXXOKJXOKYINU-UHFFFAOYSA-N 234564 US9353089, 310 Beta-secretase 1 Homo sapiens 2600 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273113 340094552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408969 COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)c2ccccc2)C1=O)c1ccc(OC)cc1 InChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31) BGUIVSJLZSNGPA-UHFFFAOYSA-N 234565 US9353089, 311 Beta-secretase 1 Homo sapiens 6800 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273116 340094553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408970 COc1ccc(cc1)C1(NC(=N)N(CC2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1 InChI=1S/C28H36N4O5/c1-27(2,3)37-26(34)31-16-14-19(15-17-31)18-32-24(33)28(30-25(32)29,20-6-10-22(35-4)11-7-20)21-8-12-23(36-5)13-9-21/h6-13,19H,14-18H2,1-5H3,(H2,29,30) FHVISDKTJAQQPR-UHFFFAOYSA-N 234549 US9353089, 313 Beta-secretase 1 Homo sapiens 2200 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86274799 340094537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408971 COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)CCN(C)C)C1=O)c1ccc(OC)cc1 InChI=1S/C27H35N5O4/c1-30(2)16-15-24(33)31-17-13-21(14-18-31)32-25(34)27(29-26(32)28,19-5-9-22(35-3)10-6-19)20-7-11-23(36-4)12-8-20/h5-12,21H,13-18H2,1-4H3,(H2,28,29) YETAFHYGTQCCHU-UHFFFAOYSA-N 234566 US9353089, 322 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86272883 340094554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408972 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cccnc1 InChI=1S/C20H22N4O3/c1-26-17-6-4-14(5-7-17)20(15-3-2-10-22-13-15)18(25)24(19(21)23-20)16-8-11-27-12-9-16/h2-7,10,13,16H,8-9,11-12H2,1H3,(H2,21,23) IQNKDJVROPGCFB-UHFFFAOYSA-N 234550 US9353089, 323 Beta-secretase 1 Homo sapiens 10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600280 340094538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408973 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29) ZJGDHDGFYURDGA-UHFFFAOYSA-N 234551 US9353089, 324 Beta-secretase 1 Homo sapiens 2460 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273112 340094539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408974 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1 InChI=1S/C18H23N3O3/c1-23-15-6-4-13(5-7-15)18(12-2-3-12)16(22)21(17(19)20-18)14-8-10-24-11-9-14/h4-7,12,14H,2-3,8-11H2,1H3,(H2,19,20) NKWSWYMHUSQBTG-UHFFFAOYSA-N 234552 US9353089, 325 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273115 340094540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408975 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C28H29N3O2/c1-33-25-17-9-11-21(19-25)20-10-8-14-23(18-20)28(22-12-4-2-5-13-22)26(32)31(27(29)30-28)24-15-6-3-7-16-24/h2,4-5,8-14,17-19,24H,3,6-7,15-16H2,1H3,(H2,29,30) GRHXGIBGTCXXSD-UHFFFAOYSA-N 234553 US9353089, 326 Beta-secretase 1 Homo sapiens 8900 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273117 340094541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408976 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1 InChI=1S/C25H29N3O2/c1-30-22-12-6-8-18(16-22)17-7-5-9-20(15-17)25(19-13-14-19)23(29)28(24(26)27-25)21-10-3-2-4-11-21/h5-9,12,15-16,19,21H,2-4,10-11,13-14H2,1H3,(H2,26,27) XHQIVBKVZTWKFJ-UHFFFAOYSA-N 234555 US9353089, 328 Beta-secretase 1 Homo sapiens 6800 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273364 340094543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408977 COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1 InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26) HGHAKYGFTGHRPR-UHFFFAOYSA-N 234556 US9353089, 329 Beta-secretase 1 Homo sapiens 3600 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273369 340094544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408978 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCCC1 InChI=1S/C21H29N3O3/c1-26-18-9-7-16(8-10-18)21(15-5-3-2-4-6-15)19(25)24(20(22)23-21)17-11-13-27-14-12-17/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23) PUTUTRXGZDKHGL-UHFFFAOYSA-N 234558 US9353089, 331 Beta-secretase 1 Homo sapiens 10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273365 340094546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408979 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccn1 InChI=1S/C20H22N4O3/c1-26-16-7-5-14(6-8-16)20(17-4-2-3-11-22-17)18(25)24(19(21)23-20)15-9-12-27-13-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H2,21,23) BDFZJIJKYJCBKE-UHFFFAOYSA-N 234559 US9353089, 332 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117599730 340094547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408980 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cncnc1 InChI=1S/C19H21N5O3/c1-26-16-4-2-13(3-5-16)19(14-10-21-12-22-11-14)17(25)24(18(20)23-19)15-6-8-27-9-7-15/h2-5,10-12,15H,6-9H2,1H3,(H2,20,23) REMUTMBAAOXRQS-UHFFFAOYSA-N 234560 US9353089, 333 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600121 340094548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408981 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccncc1 InChI=1S/C20H22N4O3/c1-26-17-4-2-14(3-5-17)20(15-6-10-22-11-7-15)18(25)24(19(21)23-20)16-8-12-27-13-9-16/h2-7,10-11,16H,8-9,12-13H2,1H3,(H2,21,23) DCCXAQIUHNVRAJ-UHFFFAOYSA-N 234561 US9353089, 334 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117599972 340094549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408982 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCC1 InChI=1S/C20H27N3O3/c1-25-17-8-6-15(7-9-17)20(14-4-2-3-5-14)18(24)23(19(21)22-20)16-10-12-26-13-11-16/h6-9,14,16H,2-5,10-13H2,1H3,(H2,21,22) JKOAQYRBPUOGCN-UHFFFAOYSA-N 234562 US9353089, 335 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273366 340094550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408983 COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cnn(C)c1 InChI=1S/C19H23N5O3/c1-23-12-14(11-21-23)19(13-3-5-16(26-2)6-4-13)17(25)24(18(20)22-19)15-7-9-27-10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,20,22) XXMPUAUQXHMTFQ-UHFFFAOYSA-N 234563 US9353089, 336 Beta-secretase 1 Homo sapiens >10000 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117600284 340094551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408984 COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CCCCC1 InChI=1S/C22H31N3O2/c1-27-19-14-12-17(13-15-19)22(16-8-4-2-5-9-16)20(26)25(21(23)24-22)18-10-6-3-7-11-18/h12-16,18H,2-11H2,1H3,(H2,23,24) ZJNLHTWNGPZJLN-UHFFFAOYSA-N 234568 US9353089, 447 Beta-secretase 1 Homo sapiens 17300 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273844 340094556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408985 N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1 InChI=1S/C22H24N4O2/c23-21-25-22(17-6-7-17,20(27)26(21)19-8-11-28-12-9-19)18-5-1-3-15(13-18)16-4-2-10-24-14-16/h1-5,10,13-14,17,19H,6-9,11-12H2,(H2,23,25) AUMCPLQPYBUECX-UHFFFAOYSA-N 234569 US9353089, 487 Beta-secretase 1 Homo sapiens 8650 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273842 340094557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408986 N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C23H23N5O2/c24-12-15-10-17(14-26-13-15)16-2-1-3-19(11-16)23(18-4-5-18)21(29)28(22(25)27-23)20-6-8-30-9-7-20/h1-3,10-11,13-14,18,20H,4-9H2,(H2,25,27) QFQSWMQCIFSKCX-UHFFFAOYSA-N 234570 US9353089, 488 Beta-secretase 1 Homo sapiens 2980 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273843 340094558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408987 Clc1cncc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1 InChI=1S/C22H23ClN4O2/c23-18-11-15(12-25-13-18)14-2-1-3-17(10-14)22(16-4-5-16)20(28)27(21(24)26-22)19-6-8-29-9-7-19/h1-3,10-13,16,19H,4-9H2,(H2,24,26) XFAWPANOLUXPPT-UHFFFAOYSA-N 234571 US9353089, 489 Beta-secretase 1 Homo sapiens 1160 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86273604 340094559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408988 COc1ccc(cc1-c1cccc(c1)C#N)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1 InChI=1S/C25H26N4O3/c1-31-22-8-7-19(14-21(22)17-4-2-3-16(13-17)15-26)25(18-5-6-18)23(30)29(24(27)28-25)20-9-11-32-12-10-20/h2-4,7-8,13-14,18,20H,5-6,9-12H2,1H3,(H2,27,28) LRNWDZVTKKJAMY-UHFFFAOYSA-N 234572 US9353089, 491 Beta-secretase 1 Homo sapiens 8320 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117599681 340094560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408989 N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H26N4O/c24-22-26-23(18-11-12-18,21(28)27(22)20-9-2-1-3-10-20)19-8-4-6-16(14-19)17-7-5-13-25-15-17/h4-8,13-15,18,20H,1-3,9-12H2,(H2,24,26) XDWUXRTXFPUVJX-UHFFFAOYSA-N 234573 US9353089, 512 Beta-secretase 1 Homo sapiens 16800 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86274086 340094561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408990 N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C24H25N5O/c25-13-16-11-18(15-27-14-16)17-5-4-6-20(12-17)24(19-9-10-19)22(30)29(23(26)28-24)21-7-2-1-3-8-21/h4-6,11-12,14-15,19,21H,1-3,7-10H2,(H2,26,28) ZAWGDFXSJIJHRX-UHFFFAOYSA-N 234574 US9353089, 513 Beta-secretase 1 Homo sapiens 6640 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86274087 340094562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 408991 N=C1NC(C2CCCCC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1 InChI=1S/C25H30N4O2/c26-24-28-25(20-8-2-1-3-9-20,23(30)29(24)22-11-14-31-15-12-22)21-10-4-6-18(16-21)19-7-5-13-27-17-19/h4-7,10,13,16-17,20,22H,1-3,8-9,11-12,14-15H2,(H2,26,28) HEYINMYLERBOCR-UHFFFAOYSA-N 234575 US9353089, 517 Beta-secretase 1 Homo sapiens 14700 4 25.00 C US Patent 10.7270/Q2GQ6WP6 aid1803004 US9353089 Chen, X; Ding, K; Meyers, MJ; Tortorella, MD; Xu, J Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117599848 340094563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412090 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15/h3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t16-,20-/m1/s1 DKJRLRREDSNOQU-OXQOHEQNSA-N 236574 US9365589, 1a Beta-secretase 1 Homo sapiens 3.5 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901536 340130161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412091 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O4S/c1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15/h3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t16-,20-/m1/s1 RBWDTACROFJINQ-OXQOHEQNSA-N 236575 US9365589, 1b Beta-secretase 1 Homo sapiens 2.5 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901537 340130162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412092 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C21H23FN4O5S/c1-20(2)19(23)26-21(11-31-10-17(21)32(20,28)29)14-8-12(4-6-15(14)22)25-18(27)16-7-5-13(30-3)9-24-16/h4-9,17H,10-11H2,1-3H3,(H2,23,26)(H,25,27)/t17-,21-/m1/s1 CHEXVAMVBKFRSG-DYESRHJHSA-N 236576 US9365589, 1c Beta-secretase 1 Homo sapiens 5.8 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901538 340130163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412093 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C20H22FN5O5S/c1-19(2)18(22)26-20(10-31-9-15(20)32(19,28)29)12-6-11(4-5-13(12)21)25-17(27)14-7-24-16(30-3)8-23-14/h4-8,15H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t15-,20-/m1/s1 RYTDXAUGIXLKCB-FOIQADDNSA-N 236577 US9365589, 1d Beta-secretase 1 Homo sapiens 6.2 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901539 340130164 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412094 Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)23-19(10-29-9-15(19)30(18,27)28)12-8-11(4-5-13(12)20)22-16(26)14-6-7-25(3)24-14/h4-8,15H,9-10H2,1-3H3,(H2,21,23)(H,22,26)/t15-,19-/m1/s1 NBPRYPJSRQEILS-DNVCBOLYSA-N 236578 US9365589, 1e Beta-secretase 1 Homo sapiens 13 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901540 340130165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412095 Cc1cc(no1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C19H21FN4O5S/c1-10-6-14(24-29-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t15-,19-/m1/s1 VZSTXFJDQAXBJE-DNVCBOLYSA-N 236579 US9365589, 1f Beta-secretase 1 Homo sapiens 201 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901541 340130166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412096 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F InChI=1S/C20H20FN5O4S2/c1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14/h3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27)/t15-,20-/m1/s1 VQDFIYULPDJNBF-FOIQADDNSA-N 236580 US9365589, 1g Beta-secretase 1 Homo sapiens 25 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901728 340130167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412097 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(11-32-10-16(21)34(20,30)31)13-7-12(3-4-14(13)23)27-18(29)15-8-26-17(9-25-15)33-6-5-22/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t16-,21-/m1/s1 KGEIVFLLAMBUQN-IIBYNOLFSA-N 236581 US9365589, 1h Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901729 340130168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412098 Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C19H21FN4O5S/c1-10-6-14(29-24-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t15-,19-/m1/s1 FEMWSSPRLYMZMH-DNVCBOLYSA-N 236582 US9365589, 1i Beta-secretase 1 Homo sapiens 559 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901730 340130169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412099 Cn1cc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(n1)C(F)(F)F InChI=1S/C20H21F4N5O4S/c1-18(2)17(25)27-19(9-33-8-14(19)34(18,31)32)12-6-10(4-5-13(12)21)26-16(30)11-7-29(3)28-15(11)20(22,23)24/h4-7,14H,8-9H2,1-3H3,(H2,25,27)(H,26,30)/t14-,19-/m1/s1 JHDCKQDPQKPIPV-AUUYWEPGSA-N 236583 US9365589, 1j Beta-secretase 1 Homo sapiens 1095 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901731 340130170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412100 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C20H19ClF2N4O4S/c1-19(2)18(24)27-20(9-31-8-15(20)32(19,29)30)12-6-11(3-4-13(12)22)26-17(28)16-14(23)5-10(21)7-25-16/h3-7,15H,8-9H2,1-2H3,(H2,24,27)(H,26,28)/t15-,20-/m1/s1 LOUMLSMKYFDHDL-FOIQADDNSA-N 236584 US9365589, 1k Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901732 340130171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412101 Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)o1 InChI=1S/C20H23FN4O5S/c1-10-16(23-11(2)30-10)17(26)24-12-5-6-14(21)13(7-12)20-9-29-8-15(20)31(27,28)19(3,4)18(22)25-20/h5-7,15H,8-9H2,1-4H3,(H2,22,25)(H,24,26)/t15-,20-/m1/s1 QQELOIUXHNPFCT-FOIQADDNSA-N 236585 US9365589, 1l Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901921 340130172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412102 COCC(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C17H22FN3O5S/c1-16(2)15(19)21-17(9-26-7-13(17)27(16,23)24)11-6-10(4-5-12(11)18)20-14(22)8-25-3/h4-6,13H,7-9H2,1-3H3,(H2,19,21)(H,20,22)/t13-,17-/m1/s1 ODFHWGXAJALDTE-CXAGYDPISA-N 236586 US9365589, 1m Beta-secretase 1 Homo sapiens 74 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901922 340130173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412103 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F InChI=1S/C16H18F3N3O4S/c1-15(2)14(20)22-16(7-26-6-11(16)27(15,24)25)9-5-8(3-4-10(9)17)21-13(23)12(18)19/h3-5,11-12H,6-7H2,1-2H3,(H2,20,22)(H,21,23)/t11-,16-/m1/s1 OLHNQUAKOSLLLA-BDJLRTHQSA-N 236587 US9365589, 1n Beta-secretase 1 Homo sapiens 258 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901923 340130174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412104 CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C18H24FN3O5S/c1-10(26-4)15(23)21-11-5-6-13(19)12(7-11)18-9-27-8-14(18)28(24,25)17(2,3)16(20)22-18/h5-7,10,14H,8-9H2,1-4H3,(H2,20,22)(H,21,23)/t10-,14+,18+/m0/s1 HDZXDROMEIJJHI-DGVXXNCNSA-N 236588 US9365589, 1o Beta-secretase 1 Homo sapiens 213 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901925 340130175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412105 CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C18H24FN3O5S/c1-10(26-4)15(23)21-11-5-6-13(19)12(7-11)18-9-27-8-14(18)28(24,25)17(2,3)16(20)22-18/h5-7,10,14H,8-9H2,1-4H3,(H2,20,22)(H,21,23)/t10-,14-,18-/m1/s1 HDZXDROMEIJJHI-MAZCYNQFSA-N 236589 US9365589, 1p Beta-secretase 1 Homo sapiens 151 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901924 340130176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412106 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H19F4N5O4S/c1-18(2)17(25)29-19(9-33-8-15(19)34(18,31)32)11-5-10(3-4-12(11)21)28-16(30)13-6-27-14(7-26-13)20(22,23)24/h3-7,15H,8-9H2,1-2H3,(H2,25,29)(H,28,30)/t15-,19-/m1/s1 JYIQWWRKQIZMJL-DNVCBOLYSA-N 236590 US9365589, 1q Beta-secretase 1 Homo sapiens 13 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76901926 340130177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412107 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20FN5O4S/c1-20(2)19(24)27-21(11-31-10-17(21)32(20,29)30)14-7-13(4-5-15(14)22)26-18(28)16-6-3-12(8-23)9-25-16/h3-7,9,17H,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/s1 ZRQWZDZYZAYTLY-DYESRHJHSA-N 236591 US9365589, 1r Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593331 340130178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412108 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)c1 InChI=1S/C22H25FN4O5S/c1-12-7-14(31-4)9-25-18(12)19(28)26-13-5-6-16(23)15(8-13)22-11-32-10-17(22)33(29,30)21(2,3)20(24)27-22/h5-9,17H,10-11H2,1-4H3,(H2,24,27)(H,26,28)/t17-,22-/m1/s1 MXJYVOXJEQBXCB-VGOFRKELSA-N 236592 US9365589, 1s Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869742 340130179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412109 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)n1 InChI=1S/C21H24FN5O5S/c1-11-17(24-8-16(25-11)31-4)18(28)26-12-5-6-14(22)13(7-12)21-10-32-9-15(21)33(29,30)20(2,3)19(23)27-21/h5-8,15H,9-10H2,1-4H3,(H2,23,27)(H,26,28)/t15-,21-/m1/s1 FOIHZJCWPSRSAG-QVKFZJNVSA-N 236593 US9365589, 1t Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902113 340130180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412110 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)C#N InChI=1S/C22H22FN5O4S/c1-12-6-13(8-24)9-26-18(12)19(29)27-14-4-5-16(23)15(7-14)22-11-32-10-17(22)33(30,31)21(2,3)20(25)28-22/h4-7,9,17H,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,22-/m1/s1 WPFPYTKQXHYXQI-VGOFRKELSA-N 236594 US9365589, 1u Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902114 340130181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412111 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F InChI=1S/C17H18FN5O4S2/c1-16(2)15(19)22-17(8-27-7-13(17)29(16,25)26)10-5-9(3-4-11(10)18)21-14(24)12-6-20-28-23-12/h3-6,13H,7-8H2,1-2H3,(H2,19,22)(H,21,24)/t13-,17-/m1/s1 NBXVSRKCBQOQQR-CXAGYDPISA-N 236595 US9365589, 1v Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118553297 340130182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412112 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H22FN5O5S/c1-4-7-33-18-10-25-16(9-26-18)19(29)27-13-5-6-15(23)14(8-13)22-12-32-11-17(22)34(30,31)21(2,3)20(24)28-22/h1,5-6,8-10,17H,7,11-12H2,2-3H3,(H2,24,28)(H,27,29)/t17-,22-/m1/s1 PEMSCVBYSDLRID-VGOFRKELSA-N 236596 US9365589, 1w Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902116 340130183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412113 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C21H22F2N4O5S/c1-20(2)19(24)27-21(10-31-9-17(21)33(20,29)30)14-7-12(3-5-15(14)23)26-18(28)16-6-4-13(8-25-16)32-11-22/h3-8,17H,9-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/s1 MRPOVUYUXMRWJP-DYESRHJHSA-N 236597 US9365589, 1x Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118553298 340130184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412114 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C23H23FN4O5S/c1-4-9-33-15-6-8-18(26-11-15)20(29)27-14-5-7-17(24)16(10-14)23-13-32-12-19(23)34(30,31)22(2,3)21(25)28-23/h1,5-8,10-11,19H,9,12-13H2,2-3H3,(H2,25,28)(H,27,29)/t19-,23-/m1/s1 ZKRIRTXSSDEWSN-AUSIDOKSSA-N 236598 US9365589, 1y Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902306 340130185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412115 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C19H20F3N5O4S/c1-18(2)16(23)25-19(9-31-8-14(19)32(18,29)30)11-7-10(3-4-12(11)20)24-15(28)13-5-6-27(26-13)17(21)22/h3-7,14,17H,8-9H2,1-2H3,(H2,23,25)(H,24,28)/t14-,19-/m1/s1 NPIIRQVWYWSNPQ-AUUYWEPGSA-N 236599 US9365589, 1z Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902117 340130186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412116 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H20F4N4O4S/c1-19(2)18(26)29-20(10-33-9-16(20)34(19,31)32)13-7-12(4-5-14(13)22)28-17(30)15-6-3-11(8-27-15)21(23,24)25/h3-8,16H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t16-,20-/m1/s1 AETXDGYJUWMDJE-OXQOHEQNSA-N 236600 US9365589, 1aa Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902307 340130187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412117 CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H21F3N4O4S/c1-20(2)19(25)28-21(10-32-16(8-22)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(23)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1 WBKZBNDBMVILOR-PBTLETOKSA-N 236601 US9365589, 4a::US9365589, 4b Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902308 340130188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412118 CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H21F3N4O4S/c1-20(2)19(25)28-21(10-32-16(8-22)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(23)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1 WBKZBNDBMVILOR-PBTLETOKSA-N 236601 US9365589, 4a::US9365589, 4b Beta-secretase 1 Homo sapiens 42 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902308 340130188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412119 CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H21ClF2N4O4S/c1-20(2)19(25)28-21(10-32-16(8-23)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(22)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1 JMJZBWONPXLNAL-PBTLETOKSA-N 236603 US9365589, 4c::US9365589, 4f Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902309 340130189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412120 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C22H24F2N4O5S/c1-21(2)20(25)28-22(11-33-17(9-23)18(22)34(21,30)31)14-8-12(4-6-15(14)24)27-19(29)16-7-5-13(32-3)10-26-16/h4-8,10,17-18H,9,11H2,1-3H3,(H2,25,28)(H,27,29)/t17?,18-,22-/m1/s1 POWOFNJUGKWUOO-WMISUKIASA-N 236604 US9365589, 4d::US9365589, 4g Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902499 340130190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412121 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(10-33-15(7-22)17(21)34(20,30)31)12-6-11(4-5-13(12)23)27-18(29)14-8-26-16(32-3)9-25-14/h4-6,8-9,15,17H,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15?,17-,21-/m1/s1 KTQXEIXDVUZRFZ-NZAAYYPMSA-N 236605 US9365589, 4e::US9365589, 4h Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902500 340130191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412122 CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H21ClF2N4O4S/c1-20(2)19(25)28-21(10-32-16(8-23)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(22)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1 JMJZBWONPXLNAL-PBTLETOKSA-N 236603 US9365589, 4c::US9365589, 4f Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902309 340130189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412123 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C22H24F2N4O5S/c1-21(2)20(25)28-22(11-33-17(9-23)18(22)34(21,30)31)14-8-12(4-6-15(14)24)27-19(29)16-7-5-13(32-3)10-26-16/h4-8,10,17-18H,9,11H2,1-3H3,(H2,25,28)(H,27,29)/t17?,18-,22-/m1/s1 POWOFNJUGKWUOO-WMISUKIASA-N 236604 US9365589, 4d::US9365589, 4g Beta-secretase 1 Homo sapiens 101 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902499 340130190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412124 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(10-33-15(7-22)17(21)34(20,30)31)12-6-11(4-5-13(12)23)27-18(29)14-8-26-16(32-3)9-25-14/h4-6,8-9,15,17H,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15?,17-,21-/m1/s1 KTQXEIXDVUZRFZ-NZAAYYPMSA-N 236605 US9365589, 4e::US9365589, 4h Beta-secretase 1 Homo sapiens 204 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902500 340130191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412125 C[C@@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1 InChI=1S/C25H21F3N4O4S/c1-24(14-2-4-15(26)5-3-14)23(29)32-25(13-36-12-21(25)37(24,34)35)18-10-17(7-8-19(18)28)31-22(33)20-9-6-16(27)11-30-20/h2-11,21H,12-13H2,1H3,(H2,29,32)(H,31,33)/t21-,24+,25-/m1/s1 PRVIEVNCYRFJJM-IEZKXTBUSA-N 236609 US9365589, 8a Beta-secretase 1 Homo sapiens 84 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118553321 340130192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412126 C[C@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1 InChI=1S/C25H21F3N4O4S/c1-24(14-2-4-15(26)5-3-14)23(29)32-25(13-36-12-21(25)37(24,34)35)18-10-17(7-8-19(18)28)31-22(33)20-9-6-16(27)11-30-20/h2-11,21H,12-13H2,1H3,(H2,29,32)(H,31,33)/t21-,24-,25-/m1/s1 PRVIEVNCYRFJJM-NQHRYMMQSA-N 236610 US9365589, 8b Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118553316 340130193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412127 C[C@@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O4S/c1-11-17-21(10-31-11,27-19(24)20(2,3)32(17,29)30)14-8-13(5-6-15(14)23)26-18(28)16-7-4-12(22)9-25-16/h4-9,11,17H,10H2,1-3H3,(H2,24,27)(H,26,28)/t11-,17+,21+/m0/s1 CNUQXSYODYTLTM-PPJNFFCYSA-N 236611 US9365589, 10a Beta-secretase 1 Homo sapiens 9 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902502 340130194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412128 C[C@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O4S/c1-11-17-21(10-31-11,27-19(24)20(2,3)32(17,29)30)14-8-13(5-6-15(14)23)26-18(28)16-7-4-12(22)9-25-16/h4-9,11,17H,10H2,1-3H3,(H2,24,27)(H,26,28)/t11-,17-,21-/m1/s1 CNUQXSYODYTLTM-PYDSDUHUSA-N 236612 US9365589, 10b Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76902692 340130195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412129 C[C@@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H22F2N4O4S/c1-21(12-2-3-12)20(25)28-22(11-32-10-18(22)33(21,30)31)15-8-14(5-6-16(15)24)27-19(29)17-7-4-13(23)9-26-17/h4-9,12,18H,2-3,10-11H2,1H3,(H2,25,28)(H,27,29)/t18-,21-,22-/m1/s1 NCUUMPKADDPHGD-STZQEDGTSA-N 236613 US9365589, 13a Beta-secretase 1 Homo sapiens 39 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118553335 340130196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 412130 C[C@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H22F2N4O4S/c1-21(12-2-3-12)20(25)28-22(11-32-10-18(22)33(21,30)31)15-8-14(5-6-16(15)24)27-19(29)17-7-4-13(23)9-26-17/h4-9,12,18H,2-3,10-11H2,1H3,(H2,25,28)(H,27,29)/t18-,21+,22-/m1/s1 NCUUMPKADDPHGD-BVYCBKJFSA-N 236614 US9365589, 13b Beta-secretase 1 Homo sapiens 62 5 30.00 C US Patent 10.7270/Q2QZ28V2 aid1803094 US9365589 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Wu, W; Burnett, DA Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118553338 340130197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417115 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CCCO1)c1ccc(F)cc1F InChI=1S/C17H20F2N2O2S/c18-11-3-4-12(13(19)7-11)17-9-23-15(14-2-1-5-22-14)6-10(17)8-24-16(20)21-17/h3-4,7,10,14-15H,1-2,5-6,8-9H2,(H2,20,21)/t10-,14?,15+,17-/m0/s1 AYIXLNDRJRRIAH-FKXQQNEVSA-N 238983 US9403846, 1 Beta-secretase 1 Homo sapiens 447 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253454 340132271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417116 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1F InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1 RHJJDGACVHKXNA-JJMVLAAESA-N 238984 US9403846, 2 Beta-secretase 1 Homo sapiens 281 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593344 340132272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417117 NC1=N[C@@]2(CO[C@@H](C[C@@H]2CS1)C1CC1)c1ccc(F)cc1F InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m1/s1 RHJJDGACVHKXNA-FUEDEBDSSA-N 238985 US9403846, C23 Beta-secretase 1 Homo sapiens >100000 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253452 340132273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417118 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)C1CC1)c1ccc(F)cc1F InChI=1S/C17H20F2N2OS/c1-9-13-7-15(10-2-3-10)22-8-17(13,21-16(20)23-9)12-5-4-11(18)6-14(12)19/h4-6,9-10,13,15H,2-3,7-8H2,1H3,(H2,20,21)/t9-,13+,15-,17-/m1/s1 HENOYKTZLIYYIJ-URNHKWKMSA-N 238986 US9403846, 3 Beta-secretase 1 Homo sapiens 337 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280695 340132274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417119 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CCO1)c1ccc(F)cc1F InChI=1S/C16H18F2N2O2S/c17-10-1-2-11(12(18)6-10)16-8-22-14(13-3-4-21-13)5-9(16)7-23-15(19)20-16/h1-2,6,9,13-14H,3-5,7-8H2,(H2,19,20)/t9-,13?,14+,16-/m0/s1 DZPLYXXEXZWQOK-WRASPQICSA-N 238987 US9403846, 4 Beta-secretase 1 Homo sapiens 1310 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253547 340132275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417120 COC[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)C1CC1)c1ccc(F)cc1F InChI=1S/C18H22F2N2O2S/c1-23-8-16-13-7-15(10-2-3-10)24-9-18(13,22-17(21)25-16)12-5-4-11(19)6-14(12)20/h4-6,10,13,15-16H,2-3,7-9H2,1H3,(H2,21,22)/t13-,15+,16+,18+/m0/s1 VDVXUIFRNRFJLH-AAJLLMFJSA-N 238988 US9403846, 5 Beta-secretase 1 Homo sapiens 1410 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280694 340132276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417121 NC1=N[C@]2(CO[C@H](C[C@H]2[C@@H](CF)S1)C1CC1)c1ccc(F)cc1F InChI=1S/C17H19F3N2OS/c18-7-15-12-6-14(9-1-2-9)23-8-17(12,22-16(21)24-15)11-4-3-10(19)5-13(11)20/h3-5,9,12,14-15H,1-2,6-8H2,(H2,21,22)/t12-,14+,15+,17+/m0/s1 ZOKDMAYUPFRZKD-DPAVQSFQSA-N 238989 US9403846, 6 Beta-secretase 1 Homo sapiens 346 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280697 340132277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417122 NC1=N[C@@]2(CO[C@@H](C[C@@H]2[C@H](CF)S1)C1CC1)c1ccc(F)cc1F InChI=1S/C17H19F3N2OS/c18-7-15-12-6-14(9-1-2-9)23-8-17(12,22-16(21)24-15)11-4-3-10(19)5-13(11)20/h3-5,9,12,14-15H,1-2,6-8H2,(H2,21,22)/t12-,14+,15+,17+/m1/s1 ZOKDMAYUPFRZKD-DYWXZXKOSA-N 238990 US9403846, C48 Beta-secretase 1 Homo sapiens >100000 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253570 340132278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417123 CC1(CC1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H20F2N2OS/c1-16(4-5-16)14-6-10-8-23-15(20)21-17(10,9-22-14)12-3-2-11(18)7-13(12)19/h2-3,7,10,14H,4-6,8-9H2,1H3,(H2,20,21)/t10-,14+,17-/m0/s1 JWGPPHJPNLTEEM-IXBGWNDUSA-N 238991 US9403846, 7 Beta-secretase 1 Homo sapiens 484 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253574 340132279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417124 CC1(CC1)[C@@H]1C[C@@H]2CSC(N)=N[C@@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H20F2N2OS/c1-16(4-5-16)14-6-10-8-23-15(20)21-17(10,9-22-14)12-3-2-11(18)7-13(12)19/h2-3,7,10,14H,4-6,8-9H2,1H3,(H2,20,21)/t10-,14+,17-/m1/s1 JWGPPHJPNLTEEM-OVWKYPIYSA-N 238992 US9403846, C61 Beta-secretase 1 Homo sapiens 37000000 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253572 340132280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417125 NC1=N[C@]2(CO[C@@H](CC3CC3)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C17H20F2N2OS/c18-12-3-4-14(15(19)7-12)17-9-22-13(5-10-1-2-10)6-11(17)8-23-16(20)21-17/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H2,20,21)/t11-,13-,17-/m0/s1 PUQDUPUSQUJKLG-BNLOLNQZSA-N 238993 US9403846, 8 Beta-secretase 1 Homo sapiens 235 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280696 340132281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417126 NC1=N[C@@]2(CO[C@H](CC3CC3)C[C@@H]2CS1)c1ccc(F)cc1F InChI=1S/C17H20F2N2OS/c18-12-3-4-14(15(19)7-12)17-9-22-13(5-10-1-2-10)6-11(17)8-23-16(20)21-17/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H2,20,21)/t11-,13-,17-/m1/s1 PUQDUPUSQUJKLG-CJBNDPTMSA-N 238994 US9403846, C74 Beta-secretase 1 Homo sapiens >86000000 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253457 340132282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417127 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1c(F)cc(F)cc1F InChI=1S/C16H17F3N2OS/c17-10-4-11(18)14(12(19)5-10)16-7-22-13(8-1-2-8)3-9(16)6-23-15(20)21-16/h4-5,8-9,13H,1-3,6-7H2,(H2,20,21)/t9-,13+,16-/m0/s1 YUFWDCBIDOXDCY-VAHXTSCQSA-N 238995 US9403846, 9 Beta-secretase 1 Homo sapiens 1052 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280699 340132283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417128 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1 InChI=1S/C16H19FN2OS/c17-13-5-3-11(4-6-13)16-9-20-14(10-1-2-10)7-12(16)8-21-15(18)19-16/h3-6,10,12,14H,1-2,7-9H2,(H2,18,19)/t12-,14+,16+/m0/s1 FTTYFEBEIFPZEG-JGGQBBKZSA-N 238996 US9403846, 10 Beta-secretase 1 Homo sapiens 572 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280698 340132284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417129 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1cc(F)ccc1F InChI=1S/C16H18F2N2OS/c17-11-3-4-13(18)12(6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1 WAKCJWZQPHOJBN-JJMVLAAESA-N 238997 US9403846, 11 Beta-secretase 1 Homo sapiens 1420 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280961 340132285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417130 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1c(F)cccc1F InChI=1S/C16H18F2N2OS/c17-11-2-1-3-12(18)14(11)16-8-21-13(9-4-5-9)6-10(16)7-22-15(19)20-16/h1-3,9-10,13H,4-8H2,(H2,19,20)/t10-,13+,16-/m0/s1 CEUHNOFRRAIAQB-WNMQOVRZSA-N 238998 US9403846, 12 Beta-secretase 1 Homo sapiens 395 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280959 340132286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417131 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccccc1F InChI=1S/C16H19FN2OS/c17-13-4-2-1-3-12(13)16-9-20-14(10-5-6-10)7-11(16)8-21-15(18)19-16/h1-4,10-11,14H,5-9H2,(H2,18,19)/t11-,14+,16-/m0/s1 FHXGFQTXPUMEKT-PEYYIBSZSA-N 238999 US9403846, 13 Beta-secretase 1 Homo sapiens 422 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280960 340132287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417132 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccccc1 InChI=1S/C16H20N2OS/c17-15-18-16(12-4-2-1-3-5-12)10-19-14(11-6-7-11)8-13(16)9-20-15/h1-5,11,13-14H,6-10H2,(H2,17,18)/t13-,14+,16+/m0/s1 DXFOXQOXOOZOFO-SQWLQELKSA-N 239000 US9403846, 14 Beta-secretase 1 Homo sapiens 1280 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280962 340132288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417133 Cc1ccc(c(F)c1)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)C1CC1 InChI=1S/C17H21FN2OS/c1-10-2-5-13(14(18)6-10)17-9-21-15(11-3-4-11)7-12(17)8-22-16(19)20-17/h2,5-6,11-12,15H,3-4,7-9H2,1H3,(H2,19,20)/t12-,15+,17-/m0/s1 JRBPZKILTJVDPX-MJEQTWJJSA-N 239001 US9403846, 15 Beta-secretase 1 Homo sapiens 715 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280963 340132289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417134 Cc1ccc(cc1F)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)C1CC1 InChI=1S/C17H21FN2OS/c1-10-2-5-12(6-14(10)18)17-9-21-15(11-3-4-11)7-13(17)8-22-16(19)20-17/h2,5-6,11,13,15H,3-4,7-9H2,1H3,(H2,19,20)/t13-,15+,17+/m0/s1 AZAGZNAIHZPHML-YSVLISHTSA-N 239002 US9403846, 16 Beta-secretase 1 Homo sapiens 897 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76280964 340132290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417135 NC1=N[C@@]2(CO[C@@H](C[C@@H]2CS1)C1CC1)c1ccccc1F InChI=1S/C16H19FN2OS/c17-13-4-2-1-3-12(13)16-9-20-14(10-5-6-10)7-11(16)8-21-15(18)19-16/h1-4,10-11,14H,5-9H2,(H2,18,19)/t11-,14+,16-/m1/s1 FHXGFQTXPUMEKT-DIOULYMOSA-N 239003 US9403846, 17 Beta-secretase 1 Homo sapiens 25710 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129012627 340132291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417136 NC1=N[C@@]2(CO[C@@H](C[C@@H]2CS1)C1CC1)c1ccc(F)cc1 InChI=1S/C16H19FN2OS/c17-13-5-3-11(4-6-13)16-9-20-14(10-1-2-10)7-12(16)8-21-15(18)19-16/h3-6,10,12,14H,1-2,7-9H2,(H2,18,19)/t12-,14+,16+/m1/s1 FTTYFEBEIFPZEG-INWMFGNUSA-N 239004 US9403846, 18 Beta-secretase 1 Homo sapiens 15630 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129012628 340132292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417137 CC1(C)CCC(O1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H24F2N2O2S/c1-18(2)6-5-15(25-18)16-7-11-9-26-17(22)23-19(11,10-24-16)13-4-3-12(20)8-14(13)21/h3-4,8,11,15-16H,5-7,9-10H2,1-2H3,(H2,22,23)/t11-,15?,16+,19-/m0/s1 BEYKCRYHYSFTKF-ADZCZISSSA-N 239005 US9403846, 19 Beta-secretase 1 Homo sapiens 184 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253489 340132293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417138 C[C@@H]1C[C@H]1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H20F2N2OS/c1-9-4-12(9)15-5-10-7-23-16(20)21-17(10,8-22-15)13-3-2-11(18)6-14(13)19/h2-3,6,9-10,12,15H,4-5,7-8H2,1H3,(H2,20,21)/t9-,10+,12-,15-,17+/m1/s1 KGBCLUKVRZVSQF-KNFNSSIVSA-N 239006 US9403846, 20 Beta-secretase 1 Homo sapiens 116 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253537 340132294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 417139 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)[C@@H]1CCCO1)c1ccc(F)cc1F InChI=1S/C17H20F2N2O2S/c18-11-3-4-12(13(19)7-11)17-9-23-15(14-2-1-5-22-14)6-10(17)8-24-16(20)21-17/h3-4,7,10,14-15H,1-2,5-6,8-9H2,(H2,20,21)/t10-,14-,15+,17-/m0/s1 AYIXLNDRJRRIAH-WTIJQPERSA-N 239007 US9403846, 21 Beta-secretase 1 Homo sapiens 302 4.5 US Patent 10.7270/Q2JW8CTW aid1803198 US9403846 Brodney, MA; O'Neill, BT; Butler, CR; LaChapelle, EA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253554 340132295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425630 CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H22ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/s1 VFRMWJSJMHBDCM-SFHVURJKSA-N 244045 US9428476, 1a Beta-secretase 1 Homo sapiens 5 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626252 341095770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425631 CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H22ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/s1 VFRMWJSJMHBDCM-SFHVURJKSA-N 244046 US9428476, 1b Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626252 341095771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425632 CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C19H25FN6O3S/c1-19(11-30(28,22-2)26(3)18(21)25-19)14-9-12(5-7-15(14)20)24-17(27)16-8-6-13(29-4)10-23-16/h5-10,22,28H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1 VZNMUSBVXSORSX-IBGZPJMESA-N 244047 US9428476, 2a Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626253 341095772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425633 CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C19H25FN6O3S/c1-19(11-30(28,22-2)26(3)18(21)25-19)14-9-12(5-7-15(14)20)24-17(27)16-8-6-13(29-4)10-23-16/h5-10,22,28H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1 VZNMUSBVXSORSX-IBGZPJMESA-N 244048 US9428476, 2b Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626253 341095773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425634 CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)COC)ccc1F InChI=1S/C15H24FN5O3S/c1-15(9-25(23,18-2)21(3)14(17)20-15)11-7-10(5-6-12(11)16)19-13(22)8-24-4/h5-7,18,23H,8-9H2,1-4H3,(H2,17,20)(H,19,22)/t15-/m0/s1 QJIDGDPNMWTNMR-HNNXBMFYSA-N 244049 US9428476, 3a Beta-secretase 1 Homo sapiens 189 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626254 341095774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425635 CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H22F2N6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/s1 LIAVENAQWXAHHF-SFHVURJKSA-N 244050 US9428476, 4a Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626255 341095775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425636 CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H22F2N6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/s1 LIAVENAQWXAHHF-SFHVURJKSA-N 244051 US9428476, 4b Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129626255 341095776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425637 CCN=S1(=O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H22ClFN6O2S/c1-4-24-30(29)11-19(2,26-18(22)27(30)3)14-9-13(6-7-15(14)21)25-17(28)16-8-5-12(20)10-23-16/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,25,28)/t19-,30?/m0/s1 UVKOPWYRMIEAMU-QUZMYUOTSA-N 244052 US9428476, 5 Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86267655 341095777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 425638 CCN1C(=N)N[C@@](C)(CS1(=O)=NC)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H22ClFN6O2S/c1-4-27-18(22)26-19(2,11-30(27,29)23-3)14-9-13(6-7-15(14)21)25-17(28)16-8-5-12(20)10-24-16/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,25,28)/t19-,30?/m0/s1 ZQNYLKIEWDZUKV-QUZMYUOTSA-N 244053 US9428476, 6 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2WQ02Q5 aid1803343 US9428476 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=244053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=244053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86267656 341095778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423779 CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H25ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1 IRHBPBKUEXETAX-FQEVSTJZSA-N 242918 US9422255, 1a Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625881 341095057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423780 CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H25ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1 IRHBPBKUEXETAX-FQEVSTJZSA-N 242919 US9422255, 1b Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625881 341095058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423781 CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H25F2N5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1 RXLGQBLPZKLQKA-FQEVSTJZSA-N 242920 US9422255, 2a Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625882 341095059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423782 CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H25F2N5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1 RXLGQBLPZKLQKA-FQEVSTJZSA-N 242921 US9422255, 2b Beta-secretase 1 Homo sapiens 21 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625882 341095060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423783 CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C21H28FN5O3S/c1-20(2)19(23)27-21(3,12-31(20,29)24-4)15-10-13(6-8-16(15)22)26-18(28)17-9-7-14(30-5)11-25-17/h6-11,24,29H,12H2,1-5H3,(H2,23,27)(H,26,28)/t21-/m0/s1 HIUCEFBTPIZRQJ-NRFANRHFSA-N 242922 US9422255, 3a Beta-secretase 1 Homo sapiens 11 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625883 341095061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423784 CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C20H27FN6O3S/c1-19(2)18(22)27-20(3,11-31(19,29)23-4)13-8-12(6-7-14(13)21)26-17(28)15-9-25-16(30-5)10-24-15/h6-10,23,29H,11H2,1-5H3,(H2,22,27)(H,26,28)/t20-/m0/s1 RKURZQFUHCVKFF-FQEVSTJZSA-N 242923 US9422255, 4a Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625884 341095062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423785 CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C20H27FN6O3S/c1-19(2)18(22)27-20(3,11-31(19,29)23-4)13-8-12(6-7-14(13)21)26-17(28)15-9-25-16(30-5)10-24-15/h6-10,23,29H,11H2,1-5H3,(H2,22,27)(H,26,28)/t20-/m0/s1 RKURZQFUHCVKFF-FQEVSTJZSA-N 242924 US9422255, 4b Beta-secretase 1 Homo sapiens 14 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625884 341095063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423786 CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)COC)ccc1F InChI=1S/C17H27FN4O3S/c1-16(2)15(19)22-17(3,10-26(16,24)20-4)12-8-11(6-7-13(12)18)21-14(23)9-25-5/h6-8,20,24H,9-10H2,1-5H3,(H2,19,22)(H,21,23)/t17-/m0/s1 BMGUQHAOKLWIFB-KRWDZBQOSA-N 242925 US9422255, 5a Beta-secretase 1 Homo sapiens 167 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625885 341095064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423787 CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)COC)ccc1F InChI=1S/C17H27FN4O3S/c1-16(2)15(19)22-17(3,10-26(16,24)20-4)12-8-11(6-7-13(12)18)21-14(23)9-25-5/h6-8,20,24H,9-10H2,1-5H3,(H2,19,22)(H,21,23)/t17-/m0/s1 BMGUQHAOKLWIFB-KRWDZBQOSA-N 242926 US9422255, 5b Beta-secretase 1 Homo sapiens 228 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625885 341095065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423788 CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H27ClFN5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/s1 LTQMYOXYKXFDQI-NRFANRHFSA-N 242927 US9422255, 6a Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625886 341095066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423789 CCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H27ClFN5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/s1 LTQMYOXYKXFDQI-NRFANRHFSA-N 242928 US9422255, 6b Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625886 341095067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423790 CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H27F2N5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/s1 PFKXSGPBKISYDH-NRFANRHFSA-N 242929 US9422255, 7a Beta-secretase 1 Homo sapiens 17 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625887 341095068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423791 CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H27FN6O2S/c1-5-27-32(31)13-22(4,29-20(25)21(32,2)3)16-10-15(7-8-17(16)23)28-19(30)18-9-6-14(11-24)12-26-18/h6-10,12,27,31H,5,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1 AGUAJIQQHIKKCS-QFIPXVFZSA-N 242930 US9422255, 8a Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625888 341095069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423792 CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H29ClFN5O2S/c1-22(2)21(26)30-23(3,13-33(22,32)28-11-14-4-5-14)17-10-16(7-8-18(17)25)29-20(31)19-9-6-15(24)12-27-19/h6-10,12,14,28,32H,4-5,11,13H2,1-3H3,(H2,26,30)(H,29,31)/t23-/m0/s1 RROUPVVPXFNVCS-QHCPKHFHSA-N 242931 US9422255, 9a Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625889 341095070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423793 CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H29ClFN5O2S/c1-22(2)21(26)30-23(3,13-33(22,32)28-11-14-4-5-14)17-10-16(7-8-18(17)25)29-20(31)19-9-6-15(24)12-27-19/h6-10,12,14,28,32H,4-5,11,13H2,1-3H3,(H2,26,30)(H,29,31)/t23-/m0/s1 RROUPVVPXFNVCS-QHCPKHFHSA-N 242932 US9422255, 9b Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625889 341095071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423794 CN=S1(=O)C[C@](C)(NC(=N)[C@@]1(C)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C25H24ClF2N5O2S/c1-24(14-36(35,30-3)25(2,23(29)33-24)15-4-7-17(27)8-5-15)19-12-18(9-10-20(19)28)32-22(34)21-11-6-16(26)13-31-21/h4-13H,14H2,1-3H3,(H2,29,33)(H,32,34)/t24-,25+,36?/m0/s1 VZIVUHOUMOSFOZ-FRTPCAPJSA-N 242933 US9422255, 10a Beta-secretase 1 Homo sapiens 290 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86271422 341095072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423795 CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/s1 HCHJSRXDRLUPOD-NRFANRHFSA-N 242934 US9422255, 11a Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625890 341095073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423796 CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/s1 HCHJSRXDRLUPOD-NRFANRHFSA-N 242935 US9422255, 11b Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625890 341095074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423797 COCCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H29ClFN5O3S/c1-21(2)20(25)29-22(3,13-33(21,31)27-9-10-32-4)16-11-15(6-7-17(16)24)28-19(30)18-8-5-14(23)12-26-18/h5-8,11-12,27,31H,9-10,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1 BZXZUMDZEXZKSC-QFIPXVFZSA-N 242936 US9422255, 12a Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625891 341095075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423798 COCCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H29ClFN5O3S/c1-21(2)20(25)29-22(3,13-33(21,31)27-9-10-32-4)16-11-15(6-7-17(16)24)28-19(30)18-8-5-14(23)12-26-18/h5-8,11-12,27,31H,9-10,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1 BZXZUMDZEXZKSC-QFIPXVFZSA-N 242937 US9422255, 12b Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q20P0XXS aid1803305 US9422255 Khan, TA; Scott, JD; Cumming, JN Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625891 341095076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423819 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1ccccc1 242938 US9422277, 1 Beta-secretase 1 Homo sapiens 2.1 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73508019 341095077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423820 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccc1 242939 US9422277, 2 Beta-secretase 1 Homo sapiens 112 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775623 341095078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423821 CN1\C(N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccn1)=N/C(=O)OC(C)(C)C 242940 US9422277, 3 Beta-secretase 1 Homo sapiens 470 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775624 341095079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423822 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1[nH]cnc1-c1ccccc1 242941 US9422277, 4 Beta-secretase 1 Homo sapiens 9034 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775625 341095080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423823 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cn(nn1)-c1ccccc1 InChI=1S/C17H17ClN6O2S2/c1-17(10-28(25,26)23(2)16(19)20-17)15-12(18)8-14(27-15)13-9-24(22-21-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,19,20)/t17-/m0/s1 MZKKPHDUBNVBOF-KRWDZBQOSA-N 242942 US9422277, 5 Beta-secretase 1 Homo sapiens 1985 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775626 341095081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423824 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)C1=NCCO1 242943 US9422277, 6 Beta-secretase 1 Homo sapiens 270 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775746 341095082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423825 CC1CN=C(O1)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 242944 US9422277, 7 Beta-secretase 1 Homo sapiens 87 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775747 341095083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423826 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1 242945 US9422277, 8 Beta-secretase 1 Homo sapiens 2.8 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775748 341095084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423827 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(C)o1 242946 US9422277, 9 Beta-secretase 1 Homo sapiens 8.1 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775749 341095085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423828 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(o1)C1CC1 242947 US9422277, 10 Beta-secretase 1 Homo sapiens 87 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775750 341095086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423829 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1ccc([nH]1)-c1nnco1 242948 US9422277, 11 Beta-secretase 1 Homo sapiens 45 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775751 341095087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423830 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(on1)-c1ccccc1 InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)21-18)16-12(19)8-15(27-16)13-9-14(26-22-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1 AVWDUFMAWIGZRY-SFHVURJKSA-N 242949 US9422277, 12 Beta-secretase 1 Homo sapiens 1171 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775878 341095088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423831 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1 InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1 TZRBTIDEKGRNBH-FQEVSTJZSA-N 242950 US9422277, 13::US9422277, 15 Beta-secretase 1 Homo sapiens 910 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775879 341095089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423832 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(no1)-c1ccccc1 InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)21-18)16-12(19)8-15(27-16)14-9-13(22-26-14)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1 HCBDSDWWRIIBPU-SFHVURJKSA-N 242951 US9422277, 14 Beta-secretase 1 Homo sapiens 943 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775880 341095090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423833 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1 InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1 TZRBTIDEKGRNBH-FQEVSTJZSA-N 242950 US9422277, 13::US9422277, 15 Beta-secretase 1 Homo sapiens 326 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775879 341095089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423834 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C17H15Cl2N5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1 SBOIGHMLHNFAPB-KRWDZBQOSA-N 242953 US9422277, 16 Beta-secretase 1 Homo sapiens 28.82 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775882 341095091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423835 COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C18H18ClN5O4S2/c1-18(9-30(25,26)24(2)17(20)21-18)14-12(19)8-13(29-14)16-23-22-15(28-16)10-4-6-11(27-3)7-5-10/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1 OCVQNVHNXCLRSU-SFHVURJKSA-N 242954 US9422277, 17 Beta-secretase 1 Homo sapiens 38.62 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775883 341095092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423836 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C(F)(F)F InChI=1S/C18H15ClF3N5O3S2/c1-17(8-32(28,29)27(2)16(23)24-17)13-11(19)7-12(31-13)15-26-25-14(30-15)9-3-5-10(6-4-9)18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1 OCRCZTPYWWJTJY-KRWDZBQOSA-N 242955 US9422277, 18 Beta-secretase 1 Homo sapiens 58.93 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776015 341095093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423837 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1 SCBFYVQPBSGHRL-KRWDZBQOSA-N 242956 US9422277, 19 Beta-secretase 1 Homo sapiens 31.95 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242956&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776016 341095094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423838 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1 InChI=1S/C17H16ClN5O3S2/c1-17(9-28(24,25)23(2)16(19)20-17)13-11(18)8-12(27-13)15-22-21-14(26-15)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1 ZKKCLIHWNQRYQN-KRWDZBQOSA-N 242957 US9422277, 20 Beta-secretase 1 Homo sapiens 105.8 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776017 341095095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423839 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccn1 InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-9(17)7-11(27-12)14-22-21-13(26-14)10-5-3-4-6-19-10/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1 RRUDJLAATVPDBZ-INIZCTEOSA-N 242958 US9422277, 21 Beta-secretase 1 Homo sapiens 554.6 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776018 341095096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423840 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1 GHVBKTVASKIYHA-KRWDZBQOSA-N 242959 US9422277, 22::US9422277, 84 Beta-secretase 1 Homo sapiens 65.54 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776019 341095097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423841 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-10(8-20)4-6-11/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1 MROATOGGWCLFGC-SFHVURJKSA-N 242960 US9422277, 23 Beta-secretase 1 Homo sapiens 34.58 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776020 341095098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423842 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccccc1 InChI=1S/C19H18FN5O3S/c1-19(11-29(26,27)25(2)18(21)22-19)14-10-13(8-9-15(14)20)17-24-23-16(28-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1 LBAIGIRUNNKXKP-IBGZPJMESA-N 242961 US9422277, 24 Beta-secretase 1 Homo sapiens 9868 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776159 341095099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423843 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C19H17ClFN5O3S/c1-19(10-30(27,28)26(2)18(22)23-19)14-9-12(5-8-15(14)21)17-25-24-16(29-17)11-3-6-13(20)7-4-11/h3-9H,10H2,1-2H3,(H2,22,23)/t19-/m0/s1 WHQWMFSQEQLSFH-IBGZPJMESA-N 242962 US9422277, 25 Beta-secretase 1 Homo sapiens 2592 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776160 341095100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423844 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1 InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-19-8-26-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1 PDEBELMNDDDCJC-INIZCTEOSA-N 242963 US9422277, 26 Beta-secretase 1 Homo sapiens 1245 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776161 341095101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423845 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnccn1 InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)11-8(16)5-10(27-11)13-22-21-12(26-13)9-6-18-3-4-19-9/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1 GCEWRWXQKXNTAP-HNNXBMFYSA-N 242964 US9422277, 27 Beta-secretase 1 Homo sapiens 682.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118406555 341095102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423846 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncc1 InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-10(17)7-11(27-12)14-22-21-13(26-14)9-3-5-19-6-4-9/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1 TUZPFJIPIZPFOY-INIZCTEOSA-N 242965 US9422277, 28 Beta-secretase 1 Homo sapiens 558.3 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118406554 341095103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423847 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccnc1 InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-10(17)6-11(27-12)14-22-21-13(26-14)9-4-3-5-19-7-9/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1 ITTILQQVSNQNRI-INIZCTEOSA-N 242966 US9422277, 29 Beta-secretase 1 Homo sapiens 1046 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776164 341095104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423848 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cc2ccccn2n1 InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)21-18)14-11(19)8-13(30-14)16-23-22-15(29-16)12-7-10-5-3-4-6-26(10)24-12/h3-8H,9H2,1-2H3,(H2,20,21)/t18-/m0/s1 GABSDEJETZSODI-SFHVURJKSA-N 242967 US9422277, 30 Beta-secretase 1 Homo sapiens 260 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776314 341095105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423849 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc(c1)C#N InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-4-10(6-11)8-20/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1 RTPAUPSFNJFFKR-SFHVURJKSA-N 242968 US9422277, 31 Beta-secretase 1 Homo sapiens 1209 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776315 341095106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423850 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1nccs1 InChI=1S/C14H13ClN6O3S3/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-11(24-10)12-17-3-4-25-12/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1 PQWZZLJRUIWSHM-AWEZNQCLSA-N 242969 US9422277, 32 Beta-secretase 1 Homo sapiens 401.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776316 341095107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423851 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncs1 InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-8(26-10)11-19-20-12(24-11)9-4-17-6-25-9/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1 CFIPNTQIGNAOLU-AWEZNQCLSA-N 242970 US9422277, 33 Beta-secretase 1 Homo sapiens 863.3 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776317 341095108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423852 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc2ccnn12 InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)22-18)14-11(19)8-13(30-14)16-24-23-15(29-16)12-5-3-4-10-6-7-21-26(10)12/h3-8H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1 JUAQEFYMEHGHRP-SFHVURJKSA-N 242971 US9422277, 34 Beta-secretase 1 Homo sapiens 561.4 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776318 341095109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423853 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn2ccccc12 InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)22-18)14-11(19)7-13(30-14)16-24-23-15(29-16)10-8-21-26-6-4-3-5-12(10)26/h3-8H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1 JPMFAXVXOFUKGQ-SFHVURJKSA-N 242972 US9422277, 35 Beta-secretase 1 Homo sapiens 2374 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776319 341095110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423854 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncccn1 InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)10-8(16)6-9(27-10)12-21-22-13(26-12)11-18-4-3-5-19-11/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1 YVXLHYGRGOHSRH-HNNXBMFYSA-N 242973 US9422277, 36 Beta-secretase 1 Homo sapiens 778.2 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776458 341095111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423855 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cscn1 InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(24-12)8-4-25-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1 REWUORFFNBSNFB-AWEZNQCLSA-N 242974 US9422277, 37 Beta-secretase 1 Homo sapiens 662.1 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776459 341095112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423856 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1Cc2ccccc2C1 InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)23-20)16-14(21)9-15(30-16)18-25-24-17(29-18)13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,22,23)/t20-/m0/s1 CEBLWZGJDSRVFB-FQEVSTJZSA-N 242975 US9422277, 38 Beta-secretase 1 Homo sapiens 254.6 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776460 341095113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423857 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncnc1 InChI=1S/C15H14ClN7O3S2/c1-15(6-28(24,25)23(2)14(17)20-15)11-9(16)3-10(27-11)13-22-21-12(26-13)8-4-18-7-19-5-8/h3-5,7H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1 CWAHDLMWDXXDLR-HNNXBMFYSA-N 242976 US9422277, 39 Beta-secretase 1 Homo sapiens 5400 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776461 341095114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423858 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnco1 InChI=1S/C14H13ClN6O4S2/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(25-12)8-4-17-6-24-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1 MEWZQORZRFJYMZ-AWEZNQCLSA-N 242977 US9422277, 40 Beta-secretase 1 Homo sapiens 250.3 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776462 341095115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423859 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncco1 InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-12(25-10)11-17-3-4-24-11/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1 LFWBCPDUZIJXPI-AWEZNQCLSA-N 242978 US9422277, 41 Beta-secretase 1 Homo sapiens 440.8 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776463 341095116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423860 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cocn1 InChI=1S/C14H13ClN6O4S2/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(25-12)8-4-24-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1 WJVOVHMGLZNFFP-AWEZNQCLSA-N 242979 US9422277, 42 Beta-secretase 1 Homo sapiens 924.7 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776599 341095117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423861 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncn1 InChI=1S/C15H14ClN7O3S2/c1-15(6-28(24,25)23(2)14(17)20-15)11-8(16)5-10(27-11)13-22-21-12(26-13)9-3-4-18-7-19-9/h3-5,7H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1 NLONBIWGSJHHDO-HNNXBMFYSA-N 242980 US9422277, 43 Beta-secretase 1 Homo sapiens 822.5 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776600 341095118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423862 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccon1 InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)17-14)10-7(15)5-9(26-10)12-19-18-11(25-12)8-3-4-24-20-8/h3-5H,6H2,1-2H3,(H2,16,17)/t14-/m0/s1 WAFSYBQRXBRHQH-AWEZNQCLSA-N 242981 US9422277, 44 Beta-secretase 1 Homo sapiens 1336 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776601 341095119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423863 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn(C)c1 InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)19-15)11-9(16)4-10(27-11)13-21-20-12(26-13)8-5-18-22(2)6-8/h4-6H,7H2,1-3H3,(H2,17,19)/t15-/m0/s1 OGUXXBZPJZTFQL-HNNXBMFYSA-N 242982 US9422277, 45 Beta-secretase 1 Homo sapiens 406.6 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776602 341095120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423864 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccn(C)n1 InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)18-15)11-8(16)6-10(27-11)13-20-19-12(26-13)9-4-5-22(2)21-9/h4-6H,7H2,1-3H3,(H2,17,18)/t15-/m0/s1 NHLZXHMOOYYQIV-HNNXBMFYSA-N 242983 US9422277, 46 Beta-secretase 1 Homo sapiens 1139 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776603 341095121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423865 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccnn1C InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)19-15)11-8(16)6-10(27-11)13-21-20-12(26-13)9-4-5-18-22(9)2/h4-6H,7H2,1-3H3,(H2,17,19)/t15-/m0/s1 FFYIASIZWOXJSN-HNNXBMFYSA-N 242984 US9422277, 47 Beta-secretase 1 Homo sapiens 1525 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776604 341095122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423866 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1CC1 InChI=1S/C14H16ClN5O3S2/c1-14(6-25(21,22)20(2)13(16)17-14)10-8(15)5-9(24-10)12-19-18-11(23-12)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,16,17)/t14-/m0/s1 ODAJKRKMLUSTCZ-AWEZNQCLSA-N 242985 US9422277, 48 Beta-secretase 1 Homo sapiens 882.4 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776738 341095123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423867 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1nccs1 InChI=1S/C16H15FN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)10-7-9(3-4-11(10)17)12-21-22-13(26-12)14-19-5-6-27-14/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1 VDSAVKXPQQZHHL-INIZCTEOSA-N 242986 US9422277, 49 Beta-secretase 1 Homo sapiens 4002 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776739 341095124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423868 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cncs1 InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(26-13)12-6-19-8-27-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1 RQVYBJKHAQNWKF-INIZCTEOSA-N 242987 US9422277, 50 Beta-secretase 1 Homo sapiens 9923 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776740 341095125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423869 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cscn1 InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(26-13)12-6-27-8-19-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1 YKWIHRBHYPEMDM-INIZCTEOSA-N 242988 US9422277, 51 Beta-secretase 1 Homo sapiens 8598 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776741 341095126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423870 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)C1Cc2ccccc2C1 InChI=1S/C22H22FN5O3S/c1-22(12-32(29,30)28(2)21(24)25-22)17-11-15(7-8-18(17)23)19-26-27-20(31-19)16-9-13-5-3-4-6-14(13)10-16/h3-8,11,16H,9-10,12H2,1-2H3,(H2,24,25)/t22-/m0/s1 CWVROUVHWABDHH-QFIPXVFZSA-N 242989 US9422277, 52 Beta-secretase 1 Homo sapiens 7694 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776742 341095127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423871 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ncco1 InChI=1S/C16H15FN6O4S/c1-16(8-28(24,25)23(2)15(18)20-16)10-7-9(3-4-11(10)17)12-21-22-14(27-12)13-19-5-6-26-13/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1 MPPSPNKMZRUFQX-INIZCTEOSA-N 242990 US9422277, 53 Beta-secretase 1 Homo sapiens 3419 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776743 341095128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423872 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cocn1 InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-26-8-19-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1 XPOCTNNWCNRSBB-INIZCTEOSA-N 242991 US9422277, 54 Beta-secretase 1 Homo sapiens 7548 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776881 341095129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423873 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccon1 InChI=1S/C16H15FN6O4S/c1-16(8-28(24,25)23(2)15(18)19-16)10-7-9(3-4-11(10)17)13-20-21-14(27-13)12-5-6-26-22-12/h3-7H,8H2,1-2H3,(H2,18,19)/t16-/m0/s1 YEYGIOBLFJMMFV-INIZCTEOSA-N 242992 US9422277, 55 Beta-secretase 1 Homo sapiens 4940 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776882 341095130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423874 CC(C)c1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C20H22ClN5O3S2/c1-11(2)12-5-7-13(8-6-12)17-24-25-18(29-17)15-9-14(21)16(30-15)20(3)10-31(27,28)26(4)19(22)23-20/h5-9,11H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1 KLTFUOZRHPUBQI-FQEVSTJZSA-N 242993 US9422277, 56 Beta-secretase 1 Homo sapiens 358.6 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776883 341095131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423875 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1F InChI=1S/C17H14Cl2FN5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-10(19)6-12(29-13)15-24-23-14(28-15)9-4-3-8(18)5-11(9)20/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1 DPZRDYPERRHESC-KRWDZBQOSA-N 242994 US9422277, 57 Beta-secretase 1 Homo sapiens 50.71 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776884 341095132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423876 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2[nH]cnc2c1 242995 US9422277, 58 Beta-secretase 1 Homo sapiens 964.3 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776885 341095133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423877 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)c(F)c1 InChI=1S/C17H14ClF2N5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-9(18)6-12(29-13)15-24-23-14(28-15)8-3-4-10(19)11(20)5-8/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1 OYYYHXCXYIRVRS-KRWDZBQOSA-N 242996 US9422277, 59 Beta-secretase 1 Homo sapiens 117.7 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776886 341095134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423878 CC(C)Oc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C20H22ClN5O4S2/c1-11(2)29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-9-14(21)16(31-15)20(3)10-32(27,28)26(4)19(22)23-20/h5-9,11H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1 QSYCYBKQBBYYBM-FQEVSTJZSA-N 242997 US9422277, 60 Beta-secretase 1 Homo sapiens 204.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774748 341095135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423879 CCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C21H24ClN5O4S2/c1-4-5-10-30-14-8-6-13(7-9-14)18-25-26-19(31-18)16-11-15(22)17(32-16)21(2)12-33(28,29)27(3)20(23)24-21/h6-9,11H,4-5,10,12H2,1-3H3,(H2,23,24)/t21-/m0/s1 WWUXUBLNXWJJMH-NRFANRHFSA-N 242998 US9422277, 61 Beta-secretase 1 Homo sapiens 100.2 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774749 341095136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423880 CCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C20H22ClN5O4S2/c1-4-9-29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-10-14(21)16(31-15)20(2)11-32(27,28)26(3)19(22)23-20/h5-8,10H,4,9,11H2,1-3H3,(H2,22,23)/t20-/m0/s1 KDUZPASAVLGXEN-FQEVSTJZSA-N 242999 US9422277, 62 Beta-secretase 1 Homo sapiens 84.19 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774750 341095137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423881 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OCc2ccccc2)cc1 InChI=1S/C24H22ClN5O4S2/c1-24(14-36(31,32)30(2)23(26)27-24)20-18(25)12-19(35-20)22-29-28-21(34-22)16-8-10-17(11-9-16)33-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,26,27)/t24-/m0/s1 BIMQQOGSSDVRGM-DEOSSOPVSA-N 243000 US9422277, 63 Beta-secretase 1 Homo sapiens 226.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774751 341095138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423882 CCCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C22H26ClN5O4S2/c1-4-5-6-11-31-15-9-7-14(8-10-15)19-26-27-20(32-19)17-12-16(23)18(33-17)22(2)13-34(29,30)28(3)21(24)25-22/h7-10,12H,4-6,11,13H2,1-3H3,(H2,24,25)/t22-/m0/s1 LDILEPQPHIRRKQ-QFIPXVFZSA-N 243001 US9422277, 64 Beta-secretase 1 Homo sapiens 160.1 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774752 341095139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423883 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(c(F)c1)C(F)(F)F InChI=1S/C18H14ClF4N5O3S2/c1-17(7-33(29,30)28(2)16(24)25-17)13-10(19)6-12(32-13)15-27-26-14(31-15)8-3-4-9(11(20)5-8)18(21,22)23/h3-6H,7H2,1-2H3,(H2,24,25)/t17-/m0/s1 YVUYMMPPOKWTGQ-KRWDZBQOSA-N 243002 US9422277, 65 Beta-secretase 1 Homo sapiens 155.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774888 341095140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423884 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1(COC1)C#N InChI=1S/C21H19ClN6O4S2/c1-20(11-34(29,30)28(2)19(24)25-20)16-14(22)7-15(33-16)18-27-26-17(32-18)12-3-5-13(6-4-12)21(8-23)9-31-10-21/h3-7H,9-11H2,1-2H3,(H2,24,25)/t20-/m0/s1 DSOROAFTBZZSKC-FQEVSTJZSA-N 243003 US9422277, 66 Beta-secretase 1 Homo sapiens 1361 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774889 341095141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423885 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1CCC(F)(F)C1 InChI=1S/C22H22ClF2N5O3S2/c1-21(11-35(31,32)30(2)20(26)27-21)17-15(23)9-16(34-17)19-29-28-18(33-19)13-5-3-12(4-6-13)14-7-8-22(24,25)10-14/h3-6,9,14H,7-8,10-11H2,1-2H3,(H2,26,27)/t14?,21-/m0/s1 WVMOEAAQDAAEBM-YNNZGITBSA-N 243004 US9422277, 67 Beta-secretase 1 Homo sapiens 1114 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774890 341095142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423886 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCCC1 InChI=1S/C22H25ClN6O3S2/c1-22(13-34(30,31)28(2)21(24)25-22)18-16(23)12-17(33-18)20-27-26-19(32-20)14-6-8-15(9-7-14)29-10-4-3-5-11-29/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,24,25)/t22-/m0/s1 AEYDNTDXIXLOBT-QFIPXVFZSA-N 243005 US9422277, 68 Beta-secretase 1 Homo sapiens 5362 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774891 341095143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423887 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCC1=O InChI=1S/C21H21ClN6O4S2/c1-21(11-34(30,31)27(2)20(23)24-21)17-14(22)10-15(33-17)19-26-25-18(32-19)12-5-7-13(8-6-12)28-9-3-4-16(28)29/h5-8,10H,3-4,9,11H2,1-2H3,(H2,23,24)/t21-/m0/s1 GJCYRUCRPPSGON-NRFANRHFSA-N 243006 US9422277, 69 Beta-secretase 1 Homo sapiens 1026 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73774892 341095144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423888 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cnnn1 InChI=1S/C18H16ClN9O3S2/c1-18(8-33(29,30)27(2)17(20)22-18)14-12(19)7-13(32-14)16-24-23-15(31-16)10-3-5-11(6-4-10)28-9-21-25-26-28/h3-7,9H,8H2,1-2H3,(H2,20,22)/t18-/m0/s1 REDFWSWRNJDSJK-SFHVURJKSA-N 243007 US9422277, 70 Beta-secretase 1 Homo sapiens 179.5 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775035 341095145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423889 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cccn1 InChI=1S/C20H18ClN7O3S2/c1-20(11-33(29,30)27(2)19(22)24-20)16-14(21)10-15(32-16)18-26-25-17(31-18)12-4-6-13(7-5-12)28-9-3-8-23-28/h3-10H,11H2,1-2H3,(H2,22,24)/t20-/m0/s1 MSDKNBBSDUWPBS-FQEVSTJZSA-N 243008 US9422277, 71 Beta-secretase 1 Homo sapiens 155.3 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118406556 341095146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423890 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2sc(C)nc2c1 InChI=1S/C19H17ClN6O3S3/c1-9-22-12-6-10(4-5-13(12)30-9)16-24-25-17(29-16)14-7-11(20)15(31-14)19(2)8-32(27,28)26(3)18(21)23-19/h4-7H,8H2,1-3H3,(H2,21,23)/t19-/m0/s1 CBXDMVDHUBWAMC-IBGZPJMESA-N 243009 US9422277, 72 Beta-secretase 1 Homo sapiens 421.8 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775036 341095147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423891 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2scnc2c1 InChI=1S/C18H15ClN6O3S3/c1-18(7-31(26,27)25(2)17(20)22-18)14-10(19)6-13(30-14)16-24-23-15(28-16)9-3-4-12-11(5-9)21-8-29-12/h3-6,8H,7H2,1-2H3,(H2,20,22)/t18-/m0/s1 NFXILRMLYYFVFN-SFHVURJKSA-N 243010 US9422277, 73 Beta-secretase 1 Homo sapiens 170.7 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775037 341095148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423892 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2CCC(=O)c2c1 InChI=1S/C20H18ClN5O4S2/c1-20(9-32(28,29)26(2)19(22)23-20)16-13(21)8-15(31-16)18-25-24-17(30-18)11-4-3-10-5-6-14(27)12(10)7-11/h3-4,7-8H,5-6,9H2,1-2H3,(H2,22,23)/t20-/m0/s1 YLFTYITZAISXSL-FQEVSTJZSA-N 243011 US9422277, 74 Beta-secretase 1 Homo sapiens 887.1 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775038 341095149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423893 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1 SMSPJNIMZPNYEZ-INIZCTEOSA-N 243012 US9422277, 75 Beta-secretase 1 Homo sapiens 164.5 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775039 341095150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423894 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1 InChI=1S/C20H17ClN6O4S2/c1-20(10-33(28,29)27(2)19(22)23-20)16-13(21)9-15(32-16)18-25-24-17(31-18)12-5-3-11(4-6-12)14-7-8-30-26-14/h3-9H,10H2,1-2H3,(H2,22,23)/t20-/m0/s1 KXJAAHGJNPSZTB-FQEVSTJZSA-N 243013 US9422277, 76 Beta-secretase 1 Homo sapiens 108.5 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775198 341095151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423895 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C20H15ClF3N7O4S2/c1-19(8-37(32,33)31(2)18(25)27-19)13-11(21)7-12(36-13)16-29-28-15(34-16)10-5-3-9(4-6-10)14-26-17(35-30-14)20(22,23)24/h3-7H,8H2,1-2H3,(H2,25,27)/t19-/m0/s1 XCXIXBDAZAPGRB-IBGZPJMESA-N 243014 US9422277, 77 Beta-secretase 1 Homo sapiens 257.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775199 341095152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423896 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1 InChI=1S/C18H15ClF3N5O4S2/c1-17(8-33(28,29)27(2)16(23)24-17)13-11(19)7-12(32-13)15-26-25-14(30-15)9-3-5-10(6-4-9)31-18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1 DAJJCBMNFMZRNY-KRWDZBQOSA-N 243015 US9422277, 78 Beta-secretase 1 Homo sapiens 55.99 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775200 341095153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423897 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)F)cc1 InChI=1S/C18H16ClF2N5O4S2/c1-18(8-32(27,28)26(2)17(22)23-18)13-11(19)7-12(31-13)15-25-24-14(30-15)9-3-5-10(6-4-9)29-16(20)21/h3-7,16H,8H2,1-2H3,(H2,22,23)/t18-/m0/s1 MESPFPNZSZWKSJ-SFHVURJKSA-N 243016 US9422277, 79 Beta-secretase 1 Homo sapiens 51.64 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775201 341095154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423898 COC(=O)Cc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C20H20ClN5O5S2/c1-20(10-33(28,29)26(2)19(22)23-20)16-13(21)9-14(32-16)18-25-24-17(31-18)12-6-4-11(5-7-12)8-15(27)30-3/h4-7,9H,8,10H2,1-3H3,(H2,22,23)/t20-/m0/s1 BEOYHDWAKQPMOO-FQEVSTJZSA-N 243017 US9422277, 80 Beta-secretase 1 Homo sapiens 137.9 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775202 341095155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423899 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnn(c1)-c1ccccc1 InChI=1S/C22H20FN5O2S2/c1-22(13-32(29,30)27(2)21(24)26-22)20-18(23)17-10-6-9-16(19(17)31-20)14-11-25-28(12-14)15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H2,24,26)/t22-/m0/s1 CQSZGMNRQOHLML-QFIPXVFZSA-N 243018 US9422277, 81 Beta-secretase 1 Homo sapiens 1462 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775352 341095156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423900 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1coc(n1)-c1ccc(F)cc1 InChI=1S/C22H18F2N4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)19-17(24)15-5-3-4-14(18(15)32-19)16-10-31-20(26-16)12-6-8-13(23)9-7-12/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1 HAFFQZUPNWJFBP-QFIPXVFZSA-N 243019 US9422277, 82 Beta-secretase 1 Homo sapiens 4887 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775353 341095157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423901 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnc(o1)-c1ccc(F)cc1 InChI=1S/C22H18F2N4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)19-17(24)15-5-3-4-14(18(15)32-19)16-10-26-20(31-16)12-6-8-13(23)9-7-12/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1 UYXCWSFFJWWPIB-QFIPXVFZSA-N 243020 US9422277, 83 Beta-secretase 1 Homo sapiens 3177 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775354 341095158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423902 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1 GHVBKTVASKIYHA-KRWDZBQOSA-N 242959 US9422277, 22::US9422277, 84 Beta-secretase 1 Homo sapiens 102 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73776019 341095097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 423903 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cnn(c1)-c1ccccc1 InChI=1S/C18H18ClN5O2S2/c1-18(11-28(25,26)23(2)17(20)22-18)16-14(19)8-15(27-16)12-9-21-24(10-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,22)/t18-/m0/s1 XKLYFNQUOQRSQC-SFHVURJKSA-N 243022 US9422277, 85 Beta-secretase 1 Homo sapiens 265 5 30.00 C US Patent 10.7270/Q2VX0FFW aid1803307 US9422277 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775351 341095159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422350 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C17H16ClN5O3S2/c1-17(8-28(24,25)23(2)16(19)21-17)14-12(18)7-13(27-14)10-4-3-5-11(6-10)15-22-20-9-26-15/h3-7,9H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1 BAAHXMJZFXGBDB-KRWDZBQOSA-N 242223 US9416129, 1 Beta-secretase 1 Homo sapiens 1.6 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222343 341094476 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422351 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nnco1 InChI=1S/C17H16FN5O3S2/c1-17(8-28(24,25)23(2)16(19)21-17)14-12(18)7-13(27-14)10-4-3-5-11(6-10)15-22-20-9-26-15/h3-7,9H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1 NOJNOEDQKNRCDF-KRWDZBQOSA-N 242224 US9416129, 2 Beta-secretase 1 Homo sapiens 1.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222344 341094477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422352 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1nnco1 InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)21-16)13-11(17)4-12(27-13)9-3-10(6-19-5-9)14-22-20-8-26-14/h3-6,8H,7H2,1-2H3,(H2,18,21)/t16-/m0/s1 PAXNTSLCJPOLCT-INIZCTEOSA-N 242225 US9416129, 3::US9416129, 5 Beta-secretase 1 Homo sapiens 7.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222418 341094478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422353 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1cc[nH]n1 242226 US9416129, 4 Beta-secretase 1 Homo sapiens 10.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222419 341094479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422354 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1nnco1 InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)21-16)13-11(17)4-12(27-13)9-3-10(6-19-5-9)14-22-20-8-26-14/h3-6,8H,7H2,1-2H3,(H2,18,21)/t16-/m0/s1 PAXNTSLCJPOLCT-INIZCTEOSA-N 242225 US9416129, 3::US9416129, 5 Beta-secretase 1 Homo sapiens 3.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222418 341094478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422355 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ncco1 InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)22-18)15-13(19)9-14(27-15)11-4-3-5-12(8-11)16-21-6-7-26-16/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1 AQBYGTNMCAHIJI-SFHVURJKSA-N 242228 US9416129, 6 Beta-secretase 1 Homo sapiens 4.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222421 341094480 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422356 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncco1 InChI=1S/C18H17FN4O3S2/c1-18(10-28(24,25)23(2)17(20)22-18)15-13(19)9-14(27-15)11-4-3-5-12(8-11)16-21-6-7-26-16/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1 RDFXNEIPFIKQQK-SFHVURJKSA-N 242229 US9416129, 7 Beta-secretase 1 Homo sapiens 8.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222422 341094481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422357 CN1\C(N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cccc(c1)-c1ncco1)=N/C(=O)OC(C)(C)C InChI=1S/C25H27FN4O5S/c1-24(2,3)35-23(31)28-22-29-25(4,15-36(32,33)30(22)5)19-14-17(9-10-20(19)26)16-7-6-8-18(13-16)21-27-11-12-34-21/h6-14H,15H2,1-5H3,(H,28,29,31)/t25-/m0/s1 LHLOZNPQSYUQGI-VWLOTQADSA-N 242230 US9416129, 8 Beta-secretase 1 Homo sapiens 1951 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424749 341094482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422358 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 InChI=1S/C17H16ClN5O3S2/c1-17(9-28(24,25)23(2)16(19)22-17)14-12(18)6-13(27-14)10-5-11(8-20-7-10)15-21-3-4-26-15/h3-8H,9H2,1-2H3,(H2,19,22)/t17-/m0/s1 QKWBNNWMPUSPAD-KRWDZBQOSA-N 242231 US9416129, 9 Beta-secretase 1 Homo sapiens 6.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222423 341094483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422359 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1ncco1 InChI=1S/C17H16FN5O3S2/c1-17(9-28(24,25)23(2)16(19)22-17)14-12(18)6-13(27-14)10-5-11(8-20-7-10)15-21-3-4-26-15/h3-8H,9H2,1-2H3,(H2,19,22)/t17-/m0/s1 BTJBTQGKHJJQHK-KRWDZBQOSA-N 242232 US9416129, 10 Beta-secretase 1 Homo sapiens 15.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424750 341094484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422360 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1cnco1 InChI=1S/C18H17ClN4O3S2/c1-18(9-28(24,25)23(2)17(20)22-18)16-13(19)7-15(27-16)12-5-3-4-11(6-12)14-8-21-10-26-14/h3-8,10H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1 XPQWYRWKVVGNSH-SFHVURJKSA-N 242233 US9416129, 11 Beta-secretase 1 Homo sapiens 1.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222503 341094485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422361 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1cnco1 InChI=1S/C18H17FN4O3S2/c1-18(9-28(24,25)23(2)17(20)22-18)16-13(19)7-15(27-16)12-5-3-4-11(6-12)14-8-21-10-26-14/h3-8,10H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1 BCZYTSLTMCVOAL-SFHVURJKSA-N 242234 US9416129, 12 Beta-secretase 1 Homo sapiens 3.3 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222504 341094486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422362 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ccno1 InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)22-18)16-13(19)9-15(27-16)12-5-3-4-11(8-12)14-6-7-21-26-14/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1 PGOFVLPJWBFJQT-SFHVURJKSA-N 242235 US9416129, 13 Beta-secretase 1 Homo sapiens 6.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222505 341094487 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422363 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ccno1 InChI=1S/C18H17FN4O3S2/c1-18(10-28(24,25)23(2)17(20)22-18)16-13(19)9-15(27-16)12-5-3-4-11(8-12)14-6-7-21-26-14/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1 NIHHKLBZWLPJSH-SFHVURJKSA-N 242236 US9416129, 14 Beta-secretase 1 Homo sapiens 6.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222506 341094488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422364 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnc(C)o1 InChI=1S/C18H18ClN5O3S2/c1-10-22-23-16(27-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)21-18/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1 UAQNMLNBXRBMEC-SFHVURJKSA-N 242237 US9416129, 15::US9416129, 53 Beta-secretase 1 Homo sapiens 129 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222507 341094489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422365 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nnc(C)o1 InChI=1S/C18H18FN5O3S2/c1-10-22-23-16(27-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)21-18/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1 JGWGDWAPGDPQBM-SFHVURJKSA-N 242238 US9416129, 16 Beta-secretase 1 Homo sapiens 232 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222508 341094490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422366 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnc(o1)C1CC1 InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)23-20)16-14(21)9-15(30-16)12-4-3-5-13(8-12)18-25-24-17(29-18)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,22,23)/t20-/m0/s1 ZHIDWPGYBWTWTM-FQEVSTJZSA-N 242239 US9416129, 17 Beta-secretase 1 Homo sapiens 203 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222593 341094491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422367 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nnc(o1)C1CC1 InChI=1S/C20H20FN5O3S2/c1-20(10-31(27,28)26(2)19(22)23-20)16-14(21)9-15(30-16)12-4-3-5-13(8-12)18-25-24-17(29-18)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,22,23)/t20-/m0/s1 GEEDGUFXLZCPST-FQEVSTJZSA-N 242240 US9416129, 18 Beta-secretase 1 Homo sapiens 177 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222594 341094492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422368 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)-c1nnco1 InChI=1S/C17H17N5O3S2/c1-17(9-27(23,24)22(2)16(18)20-17)14-7-13(8-26-14)11-4-3-5-12(6-11)15-21-19-10-25-15/h3-8,10H,9H2,1-2H3,(H2,18,20)/t17-/m0/s1 AHQBEGBCTMLPIL-KRWDZBQOSA-N 242241 US9416129, 19 Beta-secretase 1 Homo sapiens 19.2 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222595 341094493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422369 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cncc(c1)-c1cnco1 InChI=1S/C17H16ClN5O3S2/c1-17(8-28(24,25)23(2)16(19)22-17)15-12(18)4-14(27-15)11-3-10(5-20-6-11)13-7-21-9-26-13/h3-7,9H,8H2,1-2H3,(H2,19,22)/t17-/m0/s1 GBNVHSMWQKWIRA-KRWDZBQOSA-N 242242 US9416129, 20 Beta-secretase 1 Homo sapiens 11.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222596 341094494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422370 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1cnco1 InChI=1S/C17H16FN5O3S2/c1-17(8-28(24,25)23(2)16(19)22-17)15-12(18)4-14(27-15)11-3-10(5-20-6-11)13-7-21-9-26-13/h3-7,9H,8H2,1-2H3,(H2,19,22)/t17-/m0/s1 PUDHZBQAIHLCGW-KRWDZBQOSA-N 242243 US9416129, 21 Beta-secretase 1 Homo sapiens 18.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222597 341094495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422371 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cncc(c1)-c1cnco1 InChI=1S/C17H17N5O3S2/c1-17(9-27(23,24)22(2)16(18)21-17)15-4-13(8-26-15)11-3-12(6-19-5-11)14-7-20-10-25-14/h3-8,10H,9H2,1-2H3,(H2,18,21)/t17-/m0/s1 YNYYSRGLRMOFMG-KRWDZBQOSA-N 242244 US9416129, 22 Beta-secretase 1 Homo sapiens 85.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424751 341094496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422372 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1cnco1 InChI=1S/C18H16ClFN4O3S2/c1-18(8-29(25,26)24(2)17(21)23-18)16-13(19)6-15(28-16)11-3-10(4-12(20)5-11)14-7-22-9-27-14/h3-7,9H,8H2,1-2H3,(H2,21,23)/t18-/m0/s1 GHBMDYDTNUNLGX-SFHVURJKSA-N 242245 US9416129, 23 Beta-secretase 1 Homo sapiens 11.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222598 341094497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422373 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cc(F)cc(c1)-c1cnco1 InChI=1S/C18H17FN4O3S2/c1-18(9-28(24,25)23(2)17(20)22-18)16-6-13(8-27-16)11-3-12(5-14(19)4-11)15-7-21-10-26-15/h3-8,10H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1 ZKFJFCCWVBATAJ-SFHVURJKSA-N 242246 US9416129, 24 Beta-secretase 1 Homo sapiens 81 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424752 341094498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422374 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(F)cc(c1)-c1cnco1 InChI=1S/C18H16F2N4O3S2/c1-18(8-29(25,26)24(2)17(21)23-18)16-13(20)6-15(28-16)11-3-10(4-12(19)5-11)14-7-22-9-27-14/h3-7,9H,8H2,1-2H3,(H2,21,23)/t18-/m0/s1 NJUKYCIWZOWFFT-SFHVURJKSA-N 242247 US9416129, 25 Beta-secretase 1 Homo sapiens 12.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222679 341094499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422375 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1ncc(s1)-c1cccc(c1)-c1ncco1 InChI=1S/C17H17N5O3S2/c1-17(10-27(23,24)22(2)16(18)21-17)15-20-9-13(26-15)11-4-3-5-12(8-11)14-19-6-7-25-14/h3-9H,10H2,1-2H3,(H2,18,21)/t17-/m0/s1 JTZAKJMCPMMAFY-KRWDZBQOSA-N 242248 US9416129, 26 Beta-secretase 1 Homo sapiens 43.6 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222680 341094500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422376 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1ncc(s1)-c1cccc(c1)-c1nnco1 InChI=1S/C16H16N6O3S2/c1-16(8-27(23,24)22(2)15(17)20-16)14-18-7-12(26-14)10-4-3-5-11(6-10)13-21-19-9-25-13/h3-7,9H,8H2,1-2H3,(H2,17,20)/t16-/m0/s1 ZOFZMRNFUHUFBV-INIZCTEOSA-N 242249 US9416129, 27 Beta-secretase 1 Homo sapiens 13.8 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222681 341094501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422377 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C17H15ClFN5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-12(18)6-13(28-14)9-3-10(5-11(19)4-9)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 VPGJWPAEKCQKMY-KRWDZBQOSA-N 242250 US9416129, 28 Beta-secretase 1 Homo sapiens 0.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222683 341094502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422378 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C17H15F2N5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-12(19)6-13(28-14)9-3-10(5-11(18)4-9)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 GSXNFTYLLVDBEE-KRWDZBQOSA-N 242251 US9416129, 29 Beta-secretase 1 Homo sapiens 1.2 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222684 341094503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422379 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C19H17F2N5O3S/c1-19(9-30(27,28)26(2)18(22)24-19)15-8-11(3-4-16(15)21)12-5-13(7-14(20)6-12)17-25-23-10-29-17/h3-8,10H,9H2,1-2H3,(H2,22,24)/t19-/m0/s1 HQCCFVZUESJNIO-IBGZPJMESA-N 242252 US9416129, 30 Beta-secretase 1 Homo sapiens 869 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424753 341094504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422380 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(ccc1F)-c1nnco1 InChI=1S/C17H15ClFN5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-11(18)6-13(28-14)10-5-9(3-4-12(10)19)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 CNJVSRRJLACLOU-KRWDZBQOSA-N 242253 US9416129, 31 Beta-secretase 1 Homo sapiens 1.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222767 341094505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422381 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(ccc1F)-c1nnco1 InChI=1S/C17H15F2N5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-12(19)6-13(28-14)10-5-9(3-4-11(10)18)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 VJNUVDOJKFVXPP-KRWDZBQOSA-N 242254 US9416129, 32 Beta-secretase 1 Homo sapiens 1.1 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222766 341094506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422382 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(F)c(c1)-c1nnco1 InChI=1S/C17H15ClFN5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-11(18)6-13(28-14)9-3-4-12(19)10(5-9)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 UKDMICDMAJRMJA-KRWDZBQOSA-N 242255 US9416129, 33 Beta-secretase 1 Homo sapiens 5.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222768 341094507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422383 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccc(F)c(c1)-c1nnco1 InChI=1S/C17H15F2N5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-12(19)6-13(28-14)9-3-4-11(18)10(5-9)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 UKNDORQOFAUISA-KRWDZBQOSA-N 242256 US9416129, 34 Beta-secretase 1 Homo sapiens 6.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222769 341094508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422384 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(-c2nnco2)c1F InChI=1S/C17H15ClFN5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-11(18)6-12(28-14)9-4-3-5-10(13(9)19)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 FOSTZFFYNMXFJE-KRWDZBQOSA-N 242257 US9416129, 35 Beta-secretase 1 Homo sapiens 60.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222771 341094509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422385 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(-c2nnco2)c1F InChI=1S/C17H15F2N5O3S2/c1-17(7-29(25,26)24(2)16(20)22-17)14-11(18)6-12(28-14)9-4-3-5-10(13(9)19)15-23-21-8-27-15/h3-6,8H,7H2,1-2H3,(H2,20,22)/t17-/m0/s1 OMTGTKWXQOFYJU-KRWDZBQOSA-N 242258 US9416129, 36 Beta-secretase 1 Homo sapiens 1149 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222770 341094510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422386 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nc(C)no1 InChI=1S/C18H18ClN5O3S2/c1-10-21-16(27-23-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)22-18/h4-8H,9H2,1-3H3,(H2,20,22)/t18-/m0/s1 JCZLEDOQKVCZLO-SFHVURJKSA-N 242259 US9416129, 37 Beta-secretase 1 Homo sapiens 25.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222859 341094511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422387 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nc(C)no1 InChI=1S/C18H18FN5O3S2/c1-10-21-16(27-23-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)22-18/h4-8H,9H2,1-3H3,(H2,20,22)/t18-/m0/s1 NWHFUPWENCEKPO-SFHVURJKSA-N 242260 US9416129, 38 Beta-secretase 1 Homo sapiens 29.1 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222860 341094512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422388 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nc(no1)C1CC1 InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)24-20)16-14(21)9-15(30-16)12-4-3-5-13(8-12)18-23-17(25-29-18)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,22,24)/t20-/m0/s1 GLKUVEVVTQAQSO-FQEVSTJZSA-N 242261 US9416129, 39 Beta-secretase 1 Homo sapiens 419 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222862 341094513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422389 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nc(no1)C1CC1 InChI=1S/C20H20FN5O3S2/c1-20(10-31(27,28)26(2)19(22)24-20)16-14(21)9-15(30-16)12-4-3-5-13(8-12)18-23-17(25-29-18)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,22,24)/t20-/m0/s1 XDXZXIYBULROAC-FQEVSTJZSA-N 242262 US9416129, 40 Beta-secretase 1 Homo sapiens 623 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222861 341094514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422390 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1noc(C)n1 InChI=1S/C18H18ClN5O3S2/c1-10-21-16(23-27-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)22-18/h4-8H,9H2,1-3H3,(H2,20,22)/t18-/m0/s1 PFPLPKXWOLCFDK-SFHVURJKSA-N 242263 US9416129, 41 Beta-secretase 1 Homo sapiens 13.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222863 341094515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422391 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1noc(C)n1 InChI=1S/C18H18FN5O3S2/c1-10-21-16(23-27-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)22-18/h4-8H,9H2,1-3H3,(H2,20,22)/t18-/m0/s1 PKJIPWSDUYMKAI-SFHVURJKSA-N 242264 US9416129, 42 Beta-secretase 1 Homo sapiens 25.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222864 341094516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422392 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C17H16FN5O3S2/c1-17(8-28(24,25)23(2)16(19)21-17)14-6-12(7-27-14)10-3-11(5-13(18)4-10)15-22-20-9-26-15/h3-7,9H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1 SCIVGAXEUFNCTL-KRWDZBQOSA-N 242265 US9416129, 43 Beta-secretase 1 Homo sapiens 8.8 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424754 341094517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422393 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1noc(n1)C1CC1 InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)24-20)16-14(21)9-15(30-16)12-4-3-5-13(8-12)17-23-18(29-25-17)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,22,24)/t20-/m0/s1 NZQWPNSLEOZOGQ-FQEVSTJZSA-N 242266 US9416129, 44 Beta-secretase 1 Homo sapiens 267 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73602806 341094518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422394 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1noc(n1)C1CC1 InChI=1S/C20H20FN5O3S2/c1-20(10-31(27,28)26(2)19(22)24-20)16-14(21)9-15(30-16)12-4-3-5-13(8-12)17-23-18(29-25-17)11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,22,24)/t20-/m0/s1 JWDKUOVVZFZGNU-FQEVSTJZSA-N 242267 US9416129, 45 Beta-secretase 1 Homo sapiens 323 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222954 341094519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422395 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ncon1 InChI=1S/C17H16ClN5O3S2/c1-17(8-28(24,25)23(2)16(19)21-17)14-12(18)7-13(27-14)10-4-3-5-11(6-10)15-20-9-26-22-15/h3-7,9H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1 FTHWKRFIPDQNGI-KRWDZBQOSA-N 242268 US9416129, 46 Beta-secretase 1 Homo sapiens 3.3 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222955 341094520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422396 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncon1 InChI=1S/C17H16FN5O3S2/c1-17(8-28(24,25)23(2)16(19)21-17)14-12(18)7-13(27-14)10-4-3-5-11(6-10)15-20-9-26-22-15/h3-7,9H,8H2,1-2H3,(H2,19,21)/t17-/m0/s1 GGCKFWXYKBJBSD-KRWDZBQOSA-N 242269 US9416129, 47 Beta-secretase 1 Homo sapiens 3.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222956 341094521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422397 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncno1 InChI=1S/C17H16FN5O3S2/c1-17(8-28(24,25)23(2)16(19)22-17)14-12(18)7-13(27-14)10-4-3-5-11(6-10)15-20-9-21-26-15/h3-7,9H,8H2,1-2H3,(H2,19,22)/t17-/m0/s1 RNFDJIKFQXXGSS-KRWDZBQOSA-N 242270 US9416129, 48 Beta-secretase 1 Homo sapiens 0.87 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424755 341094522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422398 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccnc(c1)-c1nc(C)no1 InChI=1S/C17H17ClN6O3S2/c1-9-21-15(27-23-9)12-6-10(4-5-20-12)13-7-11(18)14(28-13)17(2)8-29(25,26)24(3)16(19)22-17/h4-7H,8H2,1-3H3,(H2,19,22)/t17-/m0/s1 JNGKMRMVYPULQW-KRWDZBQOSA-N 242271 US9416129, 49 Beta-secretase 1 Homo sapiens 18.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424756 341094523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422399 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1nc(C)no1 InChI=1S/C17H17FN6O3S2/c1-9-21-15(27-23-9)12-6-10(4-5-20-12)13-7-11(18)14(28-13)17(2)8-29(25,26)24(3)16(19)22-17/h4-7H,8H2,1-3H3,(H2,19,22)/t17-/m0/s1 QKWAZHOWCCPSFB-KRWDZBQOSA-N 242272 US9416129, 50 Beta-secretase 1 Homo sapiens 56.3 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424757 341094524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422400 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccnc(c1)-c1nc(no1)C1CC1 InChI=1S/C19H19ClN6O3S2/c1-19(9-31(27,28)26(2)18(21)24-19)15-12(20)8-14(30-15)11-5-6-22-13(7-11)17-23-16(25-29-17)10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H2,21,24)/t19-/m0/s1 HVSSLODCZRTLNA-IBGZPJMESA-N 242273 US9416129, 51 Beta-secretase 1 Homo sapiens 127 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222957 341094525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422401 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1nc(no1)C1CC1 InChI=1S/C19H19FN6O3S2/c1-19(9-31(27,28)26(2)18(21)24-19)15-12(20)8-14(30-15)11-5-6-22-13(7-11)17-23-16(25-29-17)10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H2,21,24)/t19-/m0/s1 RRLFWRMMWTVJOL-IBGZPJMESA-N 242274 US9416129, 52 Beta-secretase 1 Homo sapiens 498 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222958 341094526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422402 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnc(C)o1 InChI=1S/C18H18ClN5O3S2/c1-10-22-23-16(27-10)12-6-4-5-11(7-12)14-8-13(19)15(28-14)18(2)9-29(25,26)24(3)17(20)21-18/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1 UAQNMLNBXRBMEC-SFHVURJKSA-N 242237 US9416129, 15::US9416129, 53 Beta-secretase 1 Homo sapiens 129 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222507 341094489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422403 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1ccccc1 InChI=1S/C20H19FN4O2S2/c1-20(12-29(26,27)25(2)19(22)24-20)18-15(21)11-17(28-18)14-8-9-23-16(10-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,24)/t20-/m0/s1 OUOVRDXFJWCQLN-FQEVSTJZSA-N 242276 US9416129, 54 Beta-secretase 1 Homo sapiens 132 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221646 341094527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422404 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1cncnc1 InChI=1S/C18H17FN6O2S2/c1-18(9-29(26,27)25(2)17(20)24-18)16-13(19)6-15(28-16)11-3-4-23-14(5-11)12-7-21-10-22-8-12/h3-8,10H,9H2,1-2H3,(H2,20,24)/t18-/m0/s1 ILCUCDCMDXGEQH-SFHVURJKSA-N 242277 US9416129, 55 Beta-secretase 1 Homo sapiens 1252 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221647 341094528 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422405 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1cnco1 InChI=1S/C17H16FN5O3S2/c1-17(8-28(24,25)23(2)16(19)22-17)15-11(18)6-14(27-15)10-3-4-21-12(5-10)13-7-20-9-26-13/h3-7,9H,8H2,1-2H3,(H2,19,22)/t17-/m0/s1 ZRFQYHXYMAYWRA-KRWDZBQOSA-N 242278 US9416129, 56 Beta-secretase 1 Homo sapiens 23.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222959 341094529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422406 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cncc(c1)-c1nnc(o1)C1CC1 InChI=1S/C19H19ClN6O3S2/c1-19(9-31(27,28)26(2)18(21)23-19)15-13(20)6-14(30-15)11-5-12(8-22-7-11)17-25-24-16(29-17)10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H2,21,23)/t19-/m0/s1 AAXNGXBJBIQTNE-IBGZPJMESA-N 242279 US9416129, 57 Beta-secretase 1 Homo sapiens 566.2 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424763 341094530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422407 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(ncc1F)-c1nnco1 InChI=1S/C16H14ClFN6O3S2/c1-16(6-29(25,26)24(2)15(19)22-16)13-9(17)4-12(28-13)8-3-11(20-5-10(8)18)14-23-21-7-27-14/h3-5,7H,6H2,1-2H3,(H2,19,22)/t16-/m0/s1 IUACEMFFTQYZCX-INIZCTEOSA-N 242280 US9416129, 58 Beta-secretase 1 Homo sapiens 68.29 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424760 341094531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422408 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(ncc1F)-c1nnco1 InChI=1S/C16H14F2N6O3S2/c1-16(6-29(25,26)24(2)15(19)22-16)13-9(17)4-12(28-13)8-3-11(20-5-10(8)18)14-23-21-7-27-14/h3-5,7H,6H2,1-2H3,(H2,19,22)/t16-/m0/s1 XBQWDFCCZDPOMK-INIZCTEOSA-N 242281 US9416129, 59 Beta-secretase 1 Homo sapiens 107 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424762 341094532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422409 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-n1cccn1 InChI=1S/C18H18ClN5O2S2/c1-18(11-28(25,26)23(2)17(20)22-18)16-14(19)10-15(27-16)12-5-3-6-13(9-12)24-8-4-7-21-24/h3-10H,11H2,1-2H3,(H2,20,22)/t18-/m0/s1 ZDSCTCSNPPYHDT-SFHVURJKSA-N 242282 US9416129, 60 Beta-secretase 1 Homo sapiens 57 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221740 341094533 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422410 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)N1CCS(=O)(=O)CC1 InChI=1S/C19H23ClN4O4S3/c1-19(12-31(27,28)23(2)18(21)22-19)17-15(20)11-16(29-17)13-4-3-5-14(10-13)24-6-8-30(25,26)9-7-24/h3-5,10-11H,6-9,12H2,1-2H3,(H2,21,22)/t19-/m0/s1 RUBJFPTUDDEZOS-IBGZPJMESA-N 242283 US9416129, 61 Beta-secretase 1 Homo sapiens 693 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221736 341094534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422411 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ccccc1 InChI=1S/C21H20ClN3O2S2/c1-21(13-29(26,27)25(2)20(23)24-21)19-17(22)12-18(28-19)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h3-12H,13H2,1-2H3,(H2,23,24)/t21-/m0/s1 NVNRFSBSTBUIAJ-NRFANRHFSA-N 242284 US9416129, 62 Beta-secretase 1 Homo sapiens 161 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221648 341094535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422412 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-n1nccn1 InChI=1S/C17H17ClN6O2S2/c1-17(10-28(25,26)23(2)16(19)22-17)15-13(18)9-14(27-15)11-4-3-5-12(8-11)24-20-6-7-21-24/h3-9H,10H2,1-2H3,(H2,19,22)/t17-/m0/s1 VWLGSYUFDHSAIO-KRWDZBQOSA-N 242285 US9416129, 63 Beta-secretase 1 Homo sapiens 30.3 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221741 341094536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422413 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1cccnc1 InChI=1S/C20H19ClN4O2S2/c1-20(12-29(26,27)25(2)19(22)24-20)18-16(21)10-17(28-18)14-7-5-13(6-8-14)15-4-3-9-23-11-15/h3-11H,12H2,1-2H3,(H2,22,24)/t20-/m0/s1 PBUAWDMRTQETMD-FQEVSTJZSA-N 242286 US9416129, 64 Beta-secretase 1 Homo sapiens 2103 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221738 341094537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422414 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1ccccn1 InChI=1S/C20H19ClN4O2S2/c1-20(12-29(26,27)25(2)19(22)24-20)18-15(21)11-17(28-18)14-8-6-13(7-9-14)16-5-3-4-10-23-16/h3-11H,12H2,1-2H3,(H2,22,24)/t20-/m0/s1 NIPOSYUAJPNAJZ-FQEVSTJZSA-N 242287 US9416129, 65 Beta-secretase 1 Homo sapiens 3520 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221737 341094538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422415 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(nc1)N1CCOCC1 InChI=1S/C18H22ClN5O3S2/c1-18(11-29(25,26)23(2)17(20)22-18)16-13(19)9-14(28-16)12-3-4-15(21-10-12)24-5-7-27-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H2,20,22)/t18-/m0/s1 XFOUKBFQMFOWRE-SFHVURJKSA-N 242288 US9416129, 66 Beta-secretase 1 Homo sapiens 5904 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424765 341094539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422416 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-n1nccn1 InChI=1S/C17H17ClN6O2S2/c1-17(10-28(25,26)23(2)16(19)22-17)15-13(18)9-14(27-15)11-3-5-12(6-4-11)24-20-7-8-21-24/h3-9H,10H2,1-2H3,(H2,19,22)/t17-/m0/s1 HNYOADSNRQLYMD-KRWDZBQOSA-N 242289 US9416129, 67 Beta-secretase 1 Homo sapiens 2265 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221826 341094540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422417 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(n1)-n1ccnc1 InChI=1S/C17H17ClN6O2S2/c1-17(9-28(25,26)23(2)16(19)22-17)15-11(18)8-13(27-15)12-4-3-5-14(21-12)24-7-6-20-10-24/h3-8,10H,9H2,1-2H3,(H2,19,22)/t17-/m0/s1 RVJGXFQMEGVSJN-KRWDZBQOSA-N 242290 US9416129, 68 Beta-secretase 1 Homo sapiens 429 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221825 341094541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422418 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1ncco1 InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)22-18)15-13(19)9-14(27-15)11-3-5-12(6-4-11)16-21-7-8-26-16/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1 RBCPBLRUOYOEQG-SFHVURJKSA-N 242291 US9416129, 69 Beta-secretase 1 Homo sapiens 4231 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221827 341094542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422419 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1nccs1 InChI=1S/C18H17ClN4O2S3/c1-18(10-28(24,25)23(2)17(20)22-18)15-13(19)9-14(27-15)11-3-5-12(6-4-11)16-21-7-8-26-16/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1 TVKYFRVIGVQDAT-SFHVURJKSA-N 242292 US9416129, 70 Beta-secretase 1 Homo sapiens 827 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221828 341094543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422420 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-n1ccnn1 InChI=1S/C17H17ClN6O2S2/c1-17(10-28(25,26)23(2)16(19)21-17)15-13(18)9-14(27-15)11-3-5-12(6-4-11)24-8-7-20-22-24/h3-9H,10H2,1-2H3,(H2,19,21)/t17-/m0/s1 VXBXRSFHVZHROG-KRWDZBQOSA-N 242293 US9416129, 71 Beta-secretase 1 Homo sapiens 1600 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221829 341094544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422421 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1cnc(C)c1 InChI=1S/C18H19FN6O2S2/c1-11-8-25(10-22-11)15-6-12(4-5-21-15)14-7-13(19)16(28-14)18(2)9-29(26,27)24(3)17(20)23-18/h4-8,10H,9H2,1-3H3,(H2,20,23)/t18-/m0/s1 YTWXRLUXLLYCFX-SFHVURJKSA-N 242294 US9416129, 72 Beta-secretase 1 Homo sapiens 67.2 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221830 341094545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422422 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1ccncc1 InChI=1S/C19H18FN5O2S2/c1-19(11-29(26,27)25(2)18(21)24-19)17-14(20)10-16(28-17)13-5-8-23-15(9-13)12-3-6-22-7-4-12/h3-10H,11H2,1-2H3,(H2,21,24)/t19-/m0/s1 NRJDTUXBLSXRTB-IBGZPJMESA-N 242295 US9416129, 73 Beta-secretase 1 Homo sapiens 338 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221918 341094546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422423 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1cccnc1 InChI=1S/C19H18FN5O2S2/c1-19(11-29(26,27)25(2)18(21)24-19)17-14(20)9-16(28-17)12-5-7-23-15(8-12)13-4-3-6-22-10-13/h3-10H,11H2,1-2H3,(H2,21,24)/t19-/m0/s1 LDWPLTDIOBMLIS-IBGZPJMESA-N 242296 US9416129, 74 Beta-secretase 1 Homo sapiens 199 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221917 341094547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422424 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1cc(C)cn1 InChI=1S/C18H19FN6O2S2/c1-11-8-22-25(9-11)15-6-12(4-5-21-15)14-7-13(19)16(28-14)18(2)10-29(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)/t18-/m0/s1 OJGHMQGAJTWXOQ-SFHVURJKSA-N 242297 US9416129, 75 Beta-secretase 1 Homo sapiens 2783 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221919 341094548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422425 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1ccnc1 InChI=1S/C17H17FN6O2S2/c1-17(9-28(25,26)23(2)16(19)22-17)15-12(18)8-13(27-15)11-3-4-21-14(7-11)24-6-5-20-10-24/h3-8,10H,9H2,1-2H3,(H2,19,22)/t17-/m0/s1 ZKOMWSJRSWTTJS-KRWDZBQOSA-N 242298 US9416129, 76 Beta-secretase 1 Homo sapiens 112 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221920 341094549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422426 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1cccn1 InChI=1S/C17H17FN6O2S2/c1-17(10-28(25,26)23(2)16(19)22-17)15-12(18)9-13(27-15)11-4-6-20-14(8-11)24-7-3-5-21-24/h3-9H,10H2,1-2H3,(H2,19,22)/t17-/m0/s1 BQNANWZRKIEKGN-KRWDZBQOSA-N 242299 US9416129, 77 Beta-secretase 1 Homo sapiens 162 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74221921 341094550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422427 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1cnc(nc1)C1CC1 InChI=1S/C19H19ClN6O2S2/c1-19(9-30(27,28)26(2)18(21)25-19)16-13(20)12-5-6-22-14(15(12)29-16)11-7-23-17(24-8-11)10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H2,21,25)/t19-/m0/s1 NEHUYIDWNBEAGJ-IBGZPJMESA-N 242300 US9416129, 78 Beta-secretase 1 Homo sapiens 162 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424766 341094551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422428 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(nc1)C1CC1 InChI=1S/C20H20ClN5O2S2/c1-20(10-30(27,28)26(2)19(22)25-20)18-15(21)13-7-8-23-16(17(13)29-18)12-5-6-14(24-9-12)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,22,25)/t20-/m0/s1 NELPKQXZEKWLDZ-FQEVSTJZSA-N 242301 US9416129, 79 Beta-secretase 1 Homo sapiens 282 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424768 341094552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422429 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(nc1)-n1cccn1 InChI=1S/C20H18ClN7O2S2/c1-20(11-32(29,30)27(2)19(22)26-20)18-15(21)13-6-8-23-16(17(13)31-18)12-4-5-14(24-10-12)28-9-3-7-25-28/h3-10H,11H2,1-2H3,(H2,22,26)/t20-/m0/s1 JFKSALIFMOOXTH-FQEVSTJZSA-N 242302 US9416129, 80 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424767 341094553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422430 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)C1CC(=O)N1 InChI=1S/C22H21FN4O3S2/c1-22(11-32(29,30)27(2)21(24)26-22)20-18(23)15-5-3-4-14(19(15)31-20)12-6-8-13(9-7-12)16-10-17(28)25-16/h3-9,16H,10-11H2,1-2H3,(H2,24,26)(H,25,28)/t16?,22-/m0/s1 XEVRRLFIUKBQIP-XLDIYJRPSA-N 242303 US9416129, 81 Beta-secretase 1 Homo sapiens 184 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222009 341094554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422431 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)-c1ccc(F)cc1F InChI=1S/C24H19F3N4O2S2/c1-24(12-35(32,33)31(2)23(28)30-24)22-20(27)17-5-3-4-15(21(17)34-22)13-6-9-19(29-11-13)16-8-7-14(25)10-18(16)26/h3-11H,12H2,1-2H3,(H2,28,30)/t24-/m0/s1 LRAAPCFDVIUXIU-DEOSSOPVSA-N 242304 US9416129, 82 Beta-secretase 1 Homo sapiens 93 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222007 341094555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422432 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-n1ccnn1 InChI=1S/C21H19FN6O2S2/c1-21(12-32(29,30)27(2)20(23)25-21)19-17(22)16-5-3-4-15(18(16)31-19)13-6-8-14(9-7-13)28-11-10-24-26-28/h3-11H,12H2,1-2H3,(H2,23,25)/t21-/m0/s1 LZUVNQQZFZBFDN-NRFANRHFSA-N 242305 US9416129, 83 Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222008 341094556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422433 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1ccncc1 InChI=1S/C24H21FN4O2S2/c1-24(14-33(30,31)29(2)23(26)28-24)22-20(25)19-5-3-4-18(21(19)32-22)17-8-6-15(7-9-17)16-10-12-27-13-11-16/h3-13H,14H2,1-2H3,(H2,26,28)/t24-/m0/s1 ODFLRDCKRBCMEZ-DEOSSOPVSA-N 242306 US9416129, 84 Beta-secretase 1 Homo sapiens 351 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222096 341094557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422434 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)N1CCS(=O)(=O)CC1 InChI=1S/C23H25FN4O4S3/c1-23(14-35(31,32)27(2)22(25)26-23)21-19(24)18-5-3-4-17(20(18)33-21)15-6-8-16(9-7-15)28-10-12-34(29,30)13-11-28/h3-9H,10-14H2,1-2H3,(H2,25,26)/t23-/m0/s1 GCRSDAGLPAGHHL-QHCPKHFHSA-N 242307 US9416129, 85 Beta-secretase 1 Homo sapiens 6521 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222180 341094558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422435 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1nccn1C InChI=1S/C23H22FN5O2S2/c1-23(13-33(30,31)29(3)22(25)27-23)20-18(24)17-6-4-5-16(19(17)32-20)14-7-9-15(10-8-14)21-26-11-12-28(21)2/h4-12H,13H2,1-3H3,(H2,25,27)/t23-/m0/s1 KLANHRVIDUNZCQ-QHCPKHFHSA-N 242308 US9416129, 86 Beta-secretase 1 Homo sapiens 5616 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222182 341094559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422436 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)-n1cccn1 InChI=1S/C21H19FN6O2S2/c1-21(12-32(29,30)27(2)20(23)26-21)19-17(22)15-6-3-5-14(18(15)31-19)13-7-8-16(24-11-13)28-10-4-9-25-28/h3-11H,12H2,1-2H3,(H2,23,26)/t21-/m0/s1 PBCAUPSSKDKQBE-NRFANRHFSA-N 242309 US9416129, 87 Beta-secretase 1 Homo sapiens 10 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222263 341094560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422437 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1ncc(C)cn1 InChI=1S/C24H22FN5O2S2/c1-14-11-27-22(28-12-14)16-9-7-15(8-10-16)17-5-4-6-18-19(25)21(33-20(17)18)24(2)13-34(31,32)30(3)23(26)29-24/h4-12H,13H2,1-3H3,(H2,26,29)/t24-/m0/s1 XCFPWNHBKYXEDS-DEOSSOPVSA-N 242310 US9416129, 88 Beta-secretase 1 Homo sapiens 9135 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222179 341094561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422438 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-n1cccn1 InChI=1S/C22H20FN5O2S2/c1-22(13-32(29,30)27(2)21(24)26-22)20-18(23)17-6-3-5-16(19(17)31-20)14-7-9-15(10-8-14)28-12-4-11-25-28/h3-12H,13H2,1-2H3,(H2,24,26)/t22-/m0/s1 XHNUHGQIVJDKED-QFIPXVFZSA-N 242311 US9416129, 89 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222264 341094562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422439 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1ncco1 InChI=1S/C22H19FN4O3S2/c1-22(12-32(28,29)27(2)21(24)26-22)19-17(23)16-5-3-4-15(18(16)31-19)13-6-8-14(9-7-13)20-25-10-11-30-20/h3-11H,12H2,1-2H3,(H2,24,26)/t22-/m0/s1 LJNWYEBRTQYBML-QFIPXVFZSA-N 242312 US9416129, 90 Beta-secretase 1 Homo sapiens 104 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222183 341094563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422440 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1nccs1 InChI=1S/C22H19FN4O2S3/c1-22(12-32(28,29)27(2)21(24)26-22)19-17(23)16-5-3-4-15(18(16)31-19)13-6-8-14(9-7-13)20-25-10-11-30-20/h3-11H,12H2,1-2H3,(H2,24,26)/t22-/m0/s1 UTHIJPTYYLOQFP-QFIPXVFZSA-N 242313 US9416129, 91 Beta-secretase 1 Homo sapiens 797 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222262 341094564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422441 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-n1nccn1 InChI=1S/C21H19FN6O2S2/c1-21(12-32(29,30)27(2)20(23)26-21)19-17(22)16-5-3-4-15(18(16)31-19)13-6-8-14(9-7-13)28-24-10-11-25-28/h3-11H,12H2,1-2H3,(H2,23,26)/t21-/m0/s1 IFRGEJIEYBKOKV-NRFANRHFSA-N 242314 US9416129, 92 Beta-secretase 1 Homo sapiens 1658 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222265 341094565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422442 CN1CCN(CC1)c1ccc(cn1)-c1cccc2c(F)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C23H27FN6O2S2/c1-23(14-34(31,32)29(3)22(25)27-23)21-19(24)17-6-4-5-16(20(17)33-21)15-7-8-18(26-13-15)30-11-9-28(2)10-12-30/h4-8,13H,9-12,14H2,1-3H3,(H2,25,27)/t23-/m0/s1 RIEWQTPJALLPIR-QHCPKHFHSA-N 242315 US9416129, 93 Beta-secretase 1 Homo sapiens 3840 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222092 341094566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422443 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)N1CCOCC1 InChI=1S/C22H24FN5O3S2/c1-22(13-33(29,30)27(2)21(24)26-22)20-18(23)16-5-3-4-15(19(16)32-20)14-6-7-17(25-12-14)28-8-10-31-11-9-28/h3-7,12H,8-11,13H2,1-2H3,(H2,24,26)/t22-/m0/s1 NEBIRQVWSPJXKC-QFIPXVFZSA-N 242316 US9416129, 94 Beta-secretase 1 Homo sapiens 1500 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222093 341094567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422444 CN1CCN(CC1)c1ccc(cc1)-c1cccc2c(F)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C24H28FN5O2S2/c1-24(15-34(31,32)29(3)23(26)27-24)22-20(25)19-6-4-5-18(21(19)33-22)16-7-9-17(10-8-16)30-13-11-28(2)12-14-30/h4-10H,11-15H2,1-3H3,(H2,26,27)/t24-/m0/s1 VZHCZUYETOKUAL-DEOSSOPVSA-N 242317 US9416129, 95 Beta-secretase 1 Homo sapiens 9756 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222094 341094568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422445 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)C1CC1 InChI=1S/C21H21FN4O2S2/c1-21(11-30(27,28)26(2)20(23)25-21)19-17(22)15-5-3-4-14(18(15)29-19)13-8-9-16(24-10-13)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H2,23,25)/t21-/m0/s1 FEIOSFPGQLXUDI-NRFANRHFSA-N 242318 US9416129, 96 Beta-secretase 1 Homo sapiens 327 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222095 341094569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422446 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1cnc(nc1)-n1cccn1 InChI=1S/C19H17ClN8O2S2/c1-19(10-32(29,30)27(2)17(21)26-19)16-13(20)12-4-6-22-14(15(12)31-16)11-8-23-18(24-9-11)28-7-3-5-25-28/h3-9H,10H2,1-2H3,(H2,21,26)/t19-/m0/s1 KVYURCBXNYPYHU-IBGZPJMESA-N 242319 US9416129, 97 Beta-secretase 1 Homo sapiens 61.2 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424769 341094570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422447 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1cc(n[nH]1)C(F)(F)F 242320 US9416129, 98 Beta-secretase 1 Homo sapiens 424.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129625870 341094571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422448 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-n1nccn1 InChI=1S/C20H18ClN7O2S2/c1-20(11-32(29,30)27(2)19(22)26-20)18-15(21)14-7-8-23-16(17(14)31-18)12-3-5-13(6-4-12)28-24-9-10-25-28/h3-10H,11H2,1-2H3,(H2,22,26)/t20-/m0/s1 KTWWSGHHEGKDGG-FQEVSTJZSA-N 242321 US9416129, 99 Beta-secretase 1 Homo sapiens 224 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424773 341094572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422449 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1ncco1 InChI=1S/C21H18ClN5O3S2/c1-21(11-32(28,29)27(2)20(23)26-21)18-15(22)14-7-8-24-16(17(14)31-18)12-3-5-13(6-4-12)19-25-9-10-30-19/h3-10H,11H2,1-2H3,(H2,23,26)/t21-/m0/s1 XXBWDOSFNJOFLD-NRFANRHFSA-N 242322 US9416129, 100 Beta-secretase 1 Homo sapiens 115.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424771 341094573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422450 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)C1CC(=O)N1 InChI=1S/C21H20ClN5O3S2/c1-21(10-32(29,30)27(2)20(23)26-21)19-16(22)13-7-8-24-17(18(13)31-19)12-5-3-11(4-6-12)14-9-15(28)25-14/h3-8,14H,9-10H2,1-2H3,(H2,23,26)(H,25,28)/t14?,21-/m0/s1 PYAMHMXGYQCNNE-YNNZGITBSA-N 242323 US9416129, 101 Beta-secretase 1 Homo sapiens 959.2 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424772 341094574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422451 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-n1cccn1 InChI=1S/C21H19ClN6O2S2/c1-21(12-32(29,30)27(2)20(23)26-21)19-16(22)15-8-10-24-17(18(15)31-19)13-4-6-14(7-5-13)28-11-3-9-25-28/h3-11H,12H2,1-2H3,(H2,23,26)/t21-/m0/s1 JANCBTANJXRDER-NRFANRHFSA-N 242324 US9416129, 102 Beta-secretase 1 Homo sapiens 29.86 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222346 341094575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422452 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1ccn[nH]1 242325 US9416129, 103 Beta-secretase 1 Homo sapiens 35.55 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424775 341094576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422453 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-n1ccnn1 InChI=1S/C20H18ClN7O2S2/c1-20(11-32(29,30)27(2)19(22)25-20)18-15(21)14-7-8-23-16(17(14)31-18)12-3-5-13(6-4-12)28-10-9-24-26-28/h3-10H,11H2,1-2H3,(H2,22,25)/t20-/m0/s1 BIUKWWMLYYSLKI-FQEVSTJZSA-N 242326 US9416129, 104 Beta-secretase 1 Homo sapiens 86.07 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424777 341094577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422454 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1nccn1C InChI=1S/C22H21ClN6O2S2/c1-22(12-33(30,31)29(3)21(24)27-22)19-16(23)15-8-9-25-17(18(15)32-19)13-4-6-14(7-5-13)20-26-10-11-28(20)2/h4-11H,12H2,1-3H3,(H2,24,27)/t22-/m0/s1 NYWFTZQXPZNPJM-QFIPXVFZSA-N 242327 US9416129, 105 Beta-secretase 1 Homo sapiens 1639 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424776 341094578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422455 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1nccs1 InChI=1S/C21H18ClN5O2S3/c1-21(11-32(28,29)27(2)20(23)26-21)18-15(22)14-7-8-24-16(17(14)31-18)12-3-5-13(6-4-12)19-25-9-10-30-19/h3-10H,11H2,1-2H3,(H2,23,26)/t21-/m0/s1 XVXOYHWXCCEZTG-NRFANRHFSA-N 242328 US9416129, 106 Beta-secretase 1 Homo sapiens 270.3 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424774 341094579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422456 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1ccoc1 InChI=1S/C22H18ClFN4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)20-17(23)15-5-7-26-18(19(15)32-20)14-4-3-12(9-16(14)24)13-6-8-31-10-13/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1 IPTVVDCITNVKMD-QFIPXVFZSA-N 242329 US9416129, 107 Beta-secretase 1 Homo sapiens 19.72 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222347 341094580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422457 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cnco1 InChI=1S/C21H17ClFN5O3S2/c1-21(9-33(29,30)28(2)20(24)27-21)19-16(22)13-5-6-26-17(18(13)32-19)12-4-3-11(7-14(12)23)15-8-25-10-31-15/h3-8,10H,9H2,1-2H3,(H2,24,27)/t21-/m0/s1 PQCJKIZLGHAAMH-NRFANRHFSA-N 242330 US9416129, 108 Beta-secretase 1 Homo sapiens 35.16 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424780 341094581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422458 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1ccoc1C InChI=1S/C23H20ClFN4O3S2/c1-12-14(7-9-32-12)13-4-5-15(17(25)10-13)19-20-16(6-8-27-19)18(24)21(33-20)23(2)11-34(30,31)29(3)22(26)28-23/h4-10H,11H2,1-3H3,(H2,26,28)/t23-/m0/s1 FLBURUDRKSFKLP-QHCPKHFHSA-N 242331 US9416129, 109 Beta-secretase 1 Homo sapiens 524.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424796 341094582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422459 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cocc1C InChI=1S/C23H20ClFN4O3S2/c1-12-9-32-10-16(12)13-4-5-14(17(25)8-13)19-20-15(6-7-27-19)18(24)21(33-20)23(2)11-34(30,31)29(3)22(26)28-23/h4-10H,11H2,1-3H3,(H2,26,28)/t23-/m0/s1 CVMCZZLOPFZYSJ-QHCPKHFHSA-N 242332 US9416129, 110 Beta-secretase 1 Homo sapiens 111.5 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424781 341094583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422460 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1ccnn1C InChI=1S/C22H20ClFN6O2S2/c1-22(11-34(31,32)30(3)21(25)28-22)20-17(23)14-6-8-26-18(19(14)33-20)13-5-4-12(10-15(13)24)16-7-9-27-29(16)2/h4-10H,11H2,1-3H3,(H2,25,28)/t22-/m0/s1 DHYHNZGNWLSWMO-QFIPXVFZSA-N 242333 US9416129, 111 Beta-secretase 1 Homo sapiens 196.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424782 341094584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422461 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cnn(C)c1 InChI=1S/C22H20ClFN6O2S2/c1-22(11-34(31,32)30(3)21(25)28-22)20-17(23)15-6-7-26-18(19(15)33-20)14-5-4-12(8-16(14)24)13-9-27-29(2)10-13/h4-10H,11H2,1-3H3,(H2,25,28)/t22-/m0/s1 UMAJNBHBWFJCOR-QFIPXVFZSA-N 242334 US9416129, 112 Beta-secretase 1 Homo sapiens 290.8 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424783 341094585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422462 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cncs1 InChI=1S/C21H17ClFN5O2S3/c1-21(9-33(29,30)28(2)20(24)27-21)19-16(22)13-5-6-26-17(18(13)32-19)12-4-3-11(7-14(12)23)15-8-25-10-31-15/h3-8,10H,9H2,1-2H3,(H2,24,27)/t21-/m0/s1 DMWQKGXRJJNSHP-NRFANRHFSA-N 242335 US9416129, 113 Beta-secretase 1 Homo sapiens 105 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424785 341094586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422463 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cn[nH]c1 242336 US9416129, 114 Beta-secretase 1 Homo sapiens 329.9 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424784 341094587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422464 COc1cnn(c1)-c1ccc(c(F)c1)-c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C22H20ClFN6O3S2/c1-22(11-35(31,32)29(2)21(25)28-22)20-17(23)15-6-7-26-18(19(15)34-20)14-5-4-12(8-16(14)24)30-10-13(33-3)9-27-30/h4-10H,11H2,1-3H3,(H2,25,28)/t22-/m0/s1 UZQRFUYYBXHESD-QFIPXVFZSA-N 242337 US9416129, 115 Beta-secretase 1 Homo sapiens 17.7 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424786 341094588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422465 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-n1cccn1 InChI=1S/C21H18ClFN6O2S2/c1-21(11-33(30,31)28(2)20(24)27-21)19-16(22)14-6-8-25-17(18(14)32-19)13-5-4-12(10-15(13)23)29-9-3-7-26-29/h3-10H,11H2,1-2H3,(H2,24,27)/t21-/m0/s1 CNNFEFVBNLJBPP-NRFANRHFSA-N 242338 US9416129, 116 Beta-secretase 1 Homo sapiens 31.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424788 341094589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422466 CCCc1cnn(c1)-c1ccc(c(F)c1)-c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C24H24ClFN6O2S2/c1-4-5-14-11-29-32(12-14)15-6-7-16(18(26)10-15)20-21-17(8-9-28-20)19(25)22(35-21)24(2)13-36(33,34)31(3)23(27)30-24/h6-12H,4-5,13H2,1-3H3,(H2,27,30)/t24-/m0/s1 AYIWMZNVPWVONU-DEOSSOPVSA-N 242339 US9416129, 117 Beta-secretase 1 Homo sapiens 259.1 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424787 341094590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422467 CCc1cnn(c1)-c1ccc(c(F)c1)-c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C23H22ClFN6O2S2/c1-4-13-10-28-31(11-13)14-5-6-15(17(25)9-14)19-20-16(7-8-27-19)18(24)21(34-20)23(2)12-35(32,33)30(3)22(26)29-23/h5-11H,4,12H2,1-3H3,(H2,26,29)/t23-/m0/s1 XWTJUWGJBYJYDS-QHCPKHFHSA-N 242340 US9416129, 118 Beta-secretase 1 Homo sapiens 228.6 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424789 341094591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422468 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-n1cc(C)cn1 InChI=1S/C22H20ClFN6O2S2/c1-12-9-27-30(10-12)13-4-5-14(16(24)8-13)18-19-15(6-7-26-18)17(23)20(33-19)22(2)11-34(31,32)29(3)21(25)28-22/h4-10H,11H2,1-3H3,(H2,25,28)/t22-/m0/s1 QXJAGGVQMNHXBA-QFIPXVFZSA-N 242341 US9416129, 119 Beta-secretase 1 Homo sapiens 189.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424790 341094592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422469 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)N1CCN(CC1)c1nonc1C InChI=1S/C19H23ClN8O3S2/c1-11-16(25-31-24-11)27-6-8-28(9-7-27)17-14-12(4-5-22-17)13(20)15(32-14)19(2)10-33(29,30)26(3)18(21)23-19/h4-5H,6-10H2,1-3H3,(H2,21,23)/t19-/m0/s1 LPASGRSCSBQHPG-IBGZPJMESA-N 242342 US9416129, 120 Beta-secretase 1 Homo sapiens 726.4 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424792 341094593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422470 COc1ccnc(c1)N1CCN(CC1)c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C22H26ClN7O3S2/c1-22(13-35(31,32)28(2)21(24)27-22)19-17(23)15-5-7-26-20(18(15)34-19)30-10-8-29(9-11-30)16-12-14(33-3)4-6-25-16/h4-7,12H,8-11,13H2,1-3H3,(H2,24,27)/t22-/m0/s1 JTSNCCGBWXNHAI-QFIPXVFZSA-N 242343 US9416129, 121 Beta-secretase 1 Homo sapiens 1855 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424793 341094594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 422471 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)N1CCC(CC1)c1nc(C)ns1 InChI=1S/C20H24ClN7O2S3/c1-11-24-18(32-26-11)12-5-8-28(9-6-12)17-15-13(4-7-23-17)14(21)16(31-15)20(2)10-33(29,30)27(3)19(22)25-20/h4,7,12H,5-6,8-10H2,1-3H3,(H2,22,25)/t20-/m0/s1 VJERMIPRJPUJHG-FQEVSTJZSA-N 242344 US9416129, 122 Beta-secretase 1 Homo sapiens 884.6 5 30.00 C US Patent 10.7270/Q2HM57C6 aid1803298 US9416129 Gilbert, EJ; Cumming, JN; Stamford, AW; Yu, Y; Scott, JD; Iserloh, U; Wang, L; Caldwell, JP Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118424794 341094595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431479 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1 ODGKLSGTGUYQBK-KRWDZBQOSA-N 247276 US9447085, 1 Beta-secretase 1 Homo sapiens 9.1 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74766514 346541819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431480 COc1ccc(nc1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C18H20FN5O3S2/c1-18(10-29(25,26)24(2)17(20)23-18)13-8-11(4-6-14(13)19)22-16(28)15-7-5-12(27-3)9-21-15/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,28)/t18-/m0/s1 OCVNTFGSDBGEQX-SFHVURJKSA-N 247277 US9447085, 2 Beta-secretase 1 Homo sapiens 57 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284125 346541820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431481 COCC(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C14H19FN4O3S2/c1-14(8-24(20,21)19(2)13(16)18-14)10-6-9(4-5-11(10)15)17-12(23)7-22-3/h4-6H,7-8H2,1-3H3,(H2,16,18)(H,17,23)/t14-/m0/s1 RKZXWUOYKZPZMS-AWEZNQCLSA-N 247278 US9447085, 3 Beta-secretase 1 Homo sapiens 152 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284126 346541821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431482 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)ccc1F InChI=1S/C13H15F3N4O2S2/c1-13(6-24(21,22)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(23)10(15)16/h3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,23)/t13-/m0/s1 LGWFWNAMIOFNML-ZDUSSCGKSA-N 247279 US9447085, 4 Beta-secretase 1 Homo sapiens 83 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284127 346541822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431483 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C18H17F4N5O2S2/c1-17(9-31(28,29)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(30)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,30)/t17-/m0/s1 SNVDXMFUYVELBH-KRWDZBQOSA-N 247280 US9447085, 4a Beta-secretase 1 Homo sapiens 18 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284128 346541823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431484 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1 FUVBHHZXMIZBJO-KRWDZBQOSA-N 247281 US9447085, 4b Beta-secretase 1 Homo sapiens 25 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284129 346541824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431485 COc1cnc(cn1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H19FN6O3S2/c1-17(9-29(25,26)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(28)13-7-21-14(27-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,28)/t17-/m0/s1 WVIMFRMFHOKKED-KRWDZBQOSA-N 247282 US9447085, 4c Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284384 346541825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431486 CO\N=C(\Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1)c1ccc(Cl)cn1 InChI=1S/C18H20ClFN6O3S/c1-18(10-30(27,28)26(2)17(21)24-18)13-8-12(5-6-14(13)20)23-16(25-29-3)15-7-4-11(19)9-22-15/h4-9H,10H2,1-3H3,(H2,21,24)(H,23,25)/t18-/m0/s1 GTXHZEUPZXDNFD-SFHVURJKSA-N 247284 US9447085, 6 Beta-secretase 1 Homo sapiens 340 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284386 346541827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431487 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=N)c2ccc(Br)cn2)ccc1F InChI=1S/C17H18BrFN6O2S/c1-17(9-28(26,27)25(2)16(21)24-17)12-7-11(4-5-13(12)19)23-15(20)14-6-3-10(18)8-22-14/h3-8H,9H2,1-2H3,(H2,20,23)(H2,21,24)/t17-/m0/s1 LSSMWMYJRZHNEP-KRWDZBQOSA-N 247285 US9447085, 7 Beta-secretase 1 Homo sapiens 371 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284387 346541828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431488 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C17H16ClF2N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1 LTFKPHZPADNCFM-KRWDZBQOSA-N 247292 US9447085, 8 Beta-secretase 1 Homo sapiens 9 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284388 346541835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431489 COc1ccc(nc1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C18H19F2N5O3S2/c1-18(9-30(26,27)25(2)17(21)24-18)12-6-10(7-13(19)15(12)20)23-16(29)14-5-4-11(28-3)8-22-14/h4-8H,9H2,1-3H3,(H2,21,24)(H,23,29)/t18-/m0/s1 TZPXPQJRKFFPME-SFHVURJKSA-N 247286 US9447085, 9 Beta-secretase 1 Homo sapiens 57 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284389 346541829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431490 COCC(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C14H18F2N4O3S2/c1-14(7-25(21,22)20(2)13(17)19-14)9-4-8(5-10(15)12(9)16)18-11(24)6-23-3/h4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,24)/t14-/m0/s1 LPCVMMNYJSKSGL-AWEZNQCLSA-N 247287 US9447085, 10 Beta-secretase 1 Homo sapiens 188 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284651 346541830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431491 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)cc(F)c1F InChI=1S/C13H14F4N4O2S2/c1-13(5-25(22,23)21(2)12(18)20-13)7-3-6(4-8(14)9(7)15)19-11(24)10(16)17/h3-4,10H,5H2,1-2H3,(H2,18,20)(H,19,24)/t13-/m0/s1 WFOVGIKAMRQWRU-ZDUSSCGKSA-N 247288 US9447085, 11 Beta-secretase 1 Homo sapiens 95 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284652 346541831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431492 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)cc(F)c1F InChI=1S/C17H16F3N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1 AZXUJPQSSFWKSY-KRWDZBQOSA-N 247289 US9447085, 12 Beta-secretase 1 Homo sapiens 17 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284653 346541832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431493 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)cc(F)c1F InChI=1S/C18H16F5N5O2S2/c1-17(8-32(29,30)28(2)16(24)27-17)11-5-10(6-12(19)14(11)20)26-15(31)13-4-3-9(7-25-13)18(21,22)23/h3-7H,8H2,1-2H3,(H2,24,27)(H,26,31)/t17-/m0/s1 WYSAWMUZCGRKOK-KRWDZBQOSA-N 247290 US9447085, 13 Beta-secretase 1 Homo sapiens 30 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284654 346541833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 431494 COc1cnc(cn1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H18F2N6O3S2/c1-17(8-30(26,27)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(29)12-6-22-13(28-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,29)/t17-/m0/s1 WVDWLAJFKBZSOK-KRWDZBQOSA-N 247291 US9447085, 14 Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2348J9M aid1803418 US9447085 Cumming, JN; Scott, JD; Biftu, T Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76284655 346541834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434625 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H21FN6O3S/c1-20(12-32(30,31)21(19(24)27-20)10-28(2)11-21)15-7-14(4-5-16(15)22)26-18(29)17-6-3-13(8-23)9-25-17/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,29)/t20-/m0/s1 YNEIJINVPWTIAW-FQEVSTJZSA-N 249087 US9453034, 1 Beta-secretase 1 Homo sapiens 1.7 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471649 346543598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434626 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H21F2N5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1 SZIHHSLDDKJFCU-IBGZPJMESA-N 249088 US9453034, 2 Beta-secretase 1 Homo sapiens 6.1 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471650 346543599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434627 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1 InChI=1S/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)26-20)10-27(2)11-21)15-8-13(4-6-16(15)22)25-18(28)17-7-5-14(31-3)9-24-17/h4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,28)/t20-/m0/s1 NQKGKNFRARZHHW-FQEVSTJZSA-N 249089 US9453034, 3 Beta-secretase 1 Homo sapiens 6.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471651 346543600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434628 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1 InChI=1S/C20H23FN6O4S/c1-19(11-32(29,30)20(18(22)26-19)9-27(2)10-20)13-6-12(4-5-14(13)21)25-17(28)15-7-24-16(31-3)8-23-15/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,28)/t19-/m0/s1 XNNVDBCJJBLSID-IBGZPJMESA-N 249090 US9453034, 4 Beta-secretase 1 Homo sapiens 7.9 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471652 346543601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434629 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1 JOSATGAYPZWFMY-IBGZPJMESA-N 249091 US9453034, 5 Beta-secretase 1 Homo sapiens 2.2 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471653 346543602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434630 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C21H21F4N5O4S/c1-19(11-35(32,33)20(18(26)29-19)9-30(2)10-20)14-7-12(3-5-15(14)22)28-17(31)16-6-4-13(8-27-16)34-21(23,24)25/h3-8H,9-11H2,1-2H3,(H2,26,29)(H,28,31)/t19-/m0/s1 HMAVKEZTRORLPM-IBGZPJMESA-N 249092 US9453034, 6 Beta-secretase 1 Homo sapiens 3.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471774 346543603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434631 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H22F3N5O4S/c1-20(11-34(31,32)21(18(25)28-20)9-29(2)10-21)14-7-12(3-5-15(14)22)27-17(30)16-6-4-13(8-26-16)33-19(23)24/h3-8,19H,9-11H2,1-2H3,(H2,25,28)(H,27,30)/t20-/m0/s1 ZNVPCWFQKHJDHK-FQEVSTJZSA-N 249093 US9453034, 7 Beta-secretase 1 Homo sapiens 2.7 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471775 346543604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434632 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O4S/c1-20(11-33(30,31)21(19(24)27-20)9-28(2)10-21)15-7-13(3-5-16(15)23)26-18(29)17-6-4-14(8-25-17)32-12-22/h3-8H,9-12H2,1-2H3,(H2,24,27)(H,26,29)/t20-/m0/s1 ZQXHFKWRSMZURN-FQEVSTJZSA-N 249094 US9453034, 8 Beta-secretase 1 Homo sapiens 4.9 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471776 346543605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434633 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)c1 InChI=1S/C22H26FN5O4S/c1-13-7-15(32-4)9-25-18(13)19(29)26-14-5-6-17(23)16(8-14)21(2)12-33(30,31)22(20(24)27-21)10-28(3)11-22/h5-9H,10-12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1 QUTMFPZGOBVBDF-NRFANRHFSA-N 249095 US9453034, 9 Beta-secretase 1 Homo sapiens 6.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471777 346543606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434634 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)n1 InChI=1S/C21H25FN6O4S/c1-12-17(24-8-16(25-12)32-4)18(29)26-13-5-6-15(22)14(7-13)20(2)11-33(30,31)21(19(23)27-20)9-28(3)10-21/h5-8H,9-11H2,1-4H3,(H2,23,27)(H,26,29)/t20-/m0/s1 DHPOGPIGPJUIBY-FQEVSTJZSA-N 249096 US9453034, 10 Beta-secretase 1 Homo sapiens 10.4 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471778 346543607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434635 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C22H23FN6O3S/c1-13-6-14(8-24)9-26-18(13)19(30)27-15-4-5-17(23)16(7-15)21(2)12-33(31,32)22(20(25)28-21)10-29(3)11-22/h4-7,9H,10-12H2,1-3H3,(H2,25,28)(H,27,30)/t21-/m0/s1 QCOHZBSZFIESBV-NRFANRHFSA-N 249097 US9453034, 11 Beta-secretase 1 Homo sapiens 1.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471904 346543608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434636 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1 InChI=1S/C24H26FN5O4S/c1-4-5-10-34-17-7-9-20(27-12-17)21(31)28-16-6-8-19(25)18(11-16)23(2)15-35(32,33)24(22(26)29-23)13-30(3)14-24/h6-9,11-12H,10,13-15H2,1-3H3,(H2,26,29)(H,28,31)/t23-/m0/s1 QLVXMZONSZVPIM-QHCPKHFHSA-N 249098 US9453034, 12 Beta-secretase 1 Homo sapiens 2.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471905 346543609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434637 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C2CC2)C#N)ccc1F InChI=1S/C24H25FN6O3S/c1-23(13-35(33,34)24(22(27)30-23)11-31(2)12-24)18-8-16(5-6-19(18)25)29-21(32)20-17(15-3-4-15)7-14(9-26)10-28-20/h5-8,10,15H,3-4,11-13H2,1-2H3,(H2,27,30)(H,29,32)/t23-/m0/s1 ATGAHYDTJRUTBF-QHCPKHFHSA-N 249099 US9453034, 12a Beta-secretase 1 Homo sapiens 1.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471906 346543610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434638 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F InChI=1S/C22H21F3N6O3S/c1-21(11-35(33,34)22(20(27)30-21)9-31(2)10-22)15-6-13(3-4-16(15)23)29-19(32)17-14(18(24)25)5-12(7-26)8-28-17/h3-6,8,18H,9-11H2,1-2H3,(H2,27,30)(H,29,32)/t21-/m0/s1 DMVOTCVPZZUWSV-NRFANRHFSA-N 249100 US9453034, 12b Beta-secretase 1 Homo sapiens 1.4 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471907 346543611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434639 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H25FN6O3S/c1-22(14-34(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-16(4-5-18(17)24)28-20(31)19-6-3-15(12-25)13-27-19/h3-6,11,13H,7-10,14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1 NYROTPFSKHMAEQ-QFIPXVFZSA-N 249101 US9453034, 25 Beta-secretase 1 Homo sapiens 6.4 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472310 346543612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434640 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H25F2N5O3S/c1-21(13-33(31,32)22(20(25)28-21)7-9-29(2)10-8-22)16-11-15(4-5-17(16)24)27-19(30)18-6-3-14(23)12-26-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,25,28)(H,27,30)/t21-/m0/s1 DCKPCTPPOFRSTR-NRFANRHFSA-N 249102 US9453034, 26 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472311 346543613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434641 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 InChI=1S/C23H28FN5O4S/c1-22(14-34(31,32)23(21(25)28-22)8-10-29(2)11-9-23)17-12-15(4-6-18(17)24)27-20(30)19-7-5-16(33-3)13-26-19/h4-7,12-13H,8-11,14H2,1-3H3,(H2,25,28)(H,27,30)/t22-/m0/s1 BVAFEYOJRSVLCR-QFIPXVFZSA-N 249103 US9453034, 27 Beta-secretase 1 Homo sapiens 35 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472312 346543614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434642 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 InChI=1S/C22H27FN6O4S/c1-21(13-34(31,32)22(20(24)28-21)6-8-29(2)9-7-22)15-10-14(4-5-16(15)23)27-19(30)17-11-26-18(33-3)12-25-17/h4-5,10-12H,6-9,13H2,1-3H3,(H2,24,28)(H,27,30)/t21-/m0/s1 GADWVJSWJVSXST-NRFANRHFSA-N 249104 US9453034, 28 Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472313 346543615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434643 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H25ClFN5O3S/c1-21(13-33(31,32)22(20(25)28-21)7-9-29(2)10-8-22)16-11-15(4-5-17(16)24)27-19(30)18-6-3-14(23)12-26-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,25,28)(H,27,30)/t21-/m0/s1 WPNWEQRBZCRLHY-NRFANRHFSA-N 249105 US9453034, 29 Beta-secretase 1 Homo sapiens 12 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472443 346543616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434644 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C23H25F4N5O4S/c1-21(13-37(34,35)22(20(28)31-21)7-9-32(2)10-8-22)16-11-14(3-5-17(16)24)30-19(33)18-6-4-15(12-29-18)36-23(25,26)27/h3-6,11-12H,7-10,13H2,1-2H3,(H2,28,31)(H,30,33)/t21-/m0/s1 JEOKLBSBUZNZSZ-NRFANRHFSA-N 249106 US9453034, 30 Beta-secretase 1 Homo sapiens 15 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472444 346543617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434645 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C23H26F3N5O4S/c1-22(13-36(33,34)23(20(27)30-22)7-9-31(2)10-8-23)16-11-14(3-5-17(16)24)29-19(32)18-6-4-15(12-28-18)35-21(25)26/h3-6,11-12,21H,7-10,13H2,1-2H3,(H2,27,30)(H,29,32)/t22-/m0/s1 ONTPROOJVGYJDM-QFIPXVFZSA-N 249107 US9453034, 31 Beta-secretase 1 Homo sapiens 11 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472445 346543618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434646 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C23H27F2N5O4S/c1-22(13-35(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-15(3-5-18(17)25)28-20(31)19-6-4-16(12-27-19)34-14-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1 UYPISSYRTXBMEG-QFIPXVFZSA-N 249108 US9453034, 32 Beta-secretase 1 Homo sapiens 14 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472446 346543619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434647 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CC3)C(=N)N2)c(C)c1 InChI=1S/C24H30FN5O4S/c1-15-11-17(34-4)13-27-20(15)21(31)28-16-5-6-19(25)18(12-16)23(2)14-35(32,33)24(22(26)29-23)7-9-30(3)10-8-24/h5-6,11-13H,7-10,14H2,1-4H3,(H2,26,29)(H,28,31)/t23-/m0/s1 BNOPLMXYTLJLQP-QHCPKHFHSA-N 249109 US9453034, 33 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472447 346543620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434648 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CO3)C(=N)N2)c(C)n1 InChI=1S/C22H27FN6O5S/c1-13-18(25-10-17(26-13)33-4)19(30)27-14-5-6-16(23)15(9-14)21(2)11-35(31,32)22(20(24)28-21)7-8-29(3)12-34-22/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,24,28)(H,27,30)/t21-,22?/m0/s1 PQWUIBXPQNWMNA-HMTLIYDFSA-N 249110 US9453034, 34 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131635720 346543621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434649 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C24H27FN6O3S/c1-15-10-16(12-26)13-28-20(15)21(32)29-17-4-5-19(25)18(11-17)23(2)14-35(33,34)24(22(27)30-23)6-8-31(3)9-7-24/h4-5,10-11,13H,6-9,14H2,1-3H3,(H2,27,30)(H,29,32)/t23-/m0/s1 NRUBCOSEKGFZPQ-QHCPKHFHSA-N 249111 US9453034, 35 Beta-secretase 1 Homo sapiens 35 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472571 346543622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434650 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 InChI=1S/C26H30FN5O4S/c1-4-5-14-36-19-7-9-22(29-16-19)23(33)30-18-6-8-21(27)20(15-18)25(2)17-37(34,35)26(24(28)31-25)10-12-32(3)13-11-26/h6-9,15-16H,10-14,17H2,1-3H3,(H2,28,31)(H,30,33)/t25-/m0/s1 RZKUSOMDXZAIJY-VWLOTQADSA-N 249112 US9453034, 36 Beta-secretase 1 Homo sapiens 2.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472572 346543623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434651 CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)C(F)F)ccc1F InChI=1S/C18H23F3N4O3S/c1-17(12-9-11(3-4-13(12)19)23-15(26)14(20)21)10-29(27,28)18(16(22)24-17)5-7-25(2)8-6-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,22,24)(H,23,26)/t17-/m0/s1 DCYYANGPQBXCIX-KRWDZBQOSA-N 249113 US9453034, 36a Beta-secretase 1 Homo sapiens 1710 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249113&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472573 346543624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434652 COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 InChI=1S/C19H27FN4O4S/c1-18(14-10-13(4-5-15(14)20)22-16(25)11-28-3)12-29(26,27)19(17(21)23-18)6-8-24(2)9-7-19/h4-5,10H,6-9,11-12H2,1-3H3,(H2,21,23)(H,22,25)/t18-/m0/s1 IDFIYCKMSQTBPM-SFHVURJKSA-N 249114 US9453034, 36b Beta-secretase 1 Homo sapiens 548 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249114&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472574 346543625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434653 C[C@]1(CS(=O)(=O)C2(CNC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19FN6O3S/c1-19(11-31(29,30)20(9-24-10-20)18(23)27-19)14-6-13(3-4-15(14)21)26-17(28)16-5-2-12(7-22)8-25-16/h2-6,8,24H,9-11H2,1H3,(H2,23,27)(H,26,28)/t19-/m0/s1 BHSQEGIREXMCMC-IBGZPJMESA-N 249115 US9453034, 36c Beta-secretase 1 Homo sapiens 3.7 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472575 346543626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434654 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1 InChI=1S/C20H22FN5O4S/c1-19(11-31(28,29)20(9-23-10-20)18(22)26-19)14-7-12(3-5-15(14)21)25-17(27)16-6-4-13(30-2)8-24-16/h3-8,23H,9-11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1 QLTDBXXFYMAJCL-IBGZPJMESA-N 249116 US9453034, 36d Beta-secretase 1 Homo sapiens 22 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249116&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472694 346543627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434655 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1)C#N InChI=1S/C21H21FN6O3S/c1-12-5-13(7-23)8-26-17(12)18(29)27-14-3-4-16(22)15(6-14)20(2)11-32(30,31)21(9-25-10-21)19(24)28-20/h3-6,8,25H,9-11H2,1-2H3,(H2,24,28)(H,27,29)/t20-/m0/s1 ATKAIMXQGZRDFH-FQEVSTJZSA-N 249117 US9453034, 36e Beta-secretase 1 Homo sapiens 4.1 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472695 346543628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434656 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)C(C)=O)C(=N)N1 InChI=1S/C22H24FN5O5S/c1-13(29)28-10-22(11-28)20(24)27-21(2,12-34(22,31)32)16-8-14(4-6-17(16)23)26-19(30)18-7-5-15(33-3)9-25-18/h4-9H,10-12H2,1-3H3,(H2,24,27)(H,26,30)/t21-/m0/s1 NYVLZJCWVNZILF-NRFANRHFSA-N 249118 US9453034, 37 Beta-secretase 1 Homo sapiens 1.6 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472696 346543629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434657 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)S(C)(=O)=O)C(=N)N1 InChI=1S/C21H24FN5O6S2/c1-20(12-35(31,32)21(19(23)26-20)10-27(11-21)34(3,29)30)15-8-13(4-6-16(15)22)25-18(28)17-7-5-14(33-2)9-24-17/h4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,28)/t20-/m0/s1 ZZLWMUZDZQSGEM-FQEVSTJZSA-N 249119 US9453034, 38 Beta-secretase 1 Homo sapiens 6.5 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472697 346543630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434658 CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C22H25FN6O5S/c1-21(12-35(32,33)22(19(24)28-21)10-29(11-22)20(31)25-2)15-8-13(4-6-16(15)23)27-18(30)17-7-5-14(34-3)9-26-17/h4-9H,10-12H2,1-3H3,(H2,24,28)(H,25,31)(H,27,30)/t21-/m0/s1 PXSZYCDQHYLPTG-NRFANRHFSA-N 249120 US9453034, 39 Beta-secretase 1 Homo sapiens 7.3 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472698 346543631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434659 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(Cc3ccccc3)C2)C(=N)N1 InChI=1S/C27H28FN5O4S/c1-26(21-12-19(8-10-22(21)28)31-24(34)23-11-9-20(37-2)13-30-23)17-38(35,36)27(25(29)32-26)15-33(16-27)14-18-6-4-3-5-7-18/h3-13H,14-17H2,1-2H3,(H2,29,32)(H,31,34)/t26-/m0/s1 BSABFXDZWHHBFF-SANMLTNESA-N 249121 US9453034, 40 Beta-secretase 1 Homo sapiens 7.7 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85472816 346543632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 434660 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)c2ccc(cc2)[N+]([O-])=O)C(=N)N1 InChI=1S/C26H25FN6O6S/c1-25(20-11-16(3-9-21(20)27)30-23(34)22-10-8-19(39-2)12-29-22)15-40(37,38)26(24(28)31-25)13-32(14-26)17-4-6-18(7-5-17)33(35)36/h3-12H,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t25-/m0/s1 RMHMIIGNGBLSOY-VWLOTQADSA-N 249123 US9453034, 42 Beta-secretase 1 Homo sapiens 1.4 5 30.00 C US Patent 10.7270/Q27P8XBC aid1803450 US9453034 Gilbert, EJ; Cumming, JN; Scott, JD; Wu, W; Burnett, DA; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91869946 346543633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442084 COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1C1CCCC(F)(F)C1)c1ccccc1 InChI=1S/C31H38F2N2O3/c1-37-27-11-5-10-24-28(27)38-16-14-30(24)20-34-19-25(30)29(36)35-15-12-22(21-7-3-2-4-8-21)17-26(35)23-9-6-13-31(32,33)18-23/h2-5,7-8,10-11,22-23,25-26,34H,6,9,12-20H2,1H3/t22-,23?,25+,26+,30+/m1/s1 QDJWLSPATDJTJC-GVYFLOEHSA-N 136544 US8865701, 3::US9505739, 3 Beta-secretase 1 Homo sapiens 2190 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46893336 249812870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442085 CC(C)[C@@H]1C[C@@H](CCN1C(=O)[C@@H]1CNC[C@]11CCCc2ccccc12)c1ccccc1 InChI=1S/C28H36N2O/c1-20(2)26-17-23(21-9-4-3-5-10-21)14-16-30(26)27(31)25-18-29-19-28(25)15-8-12-22-11-6-7-13-24(22)28/h3-7,9-11,13,20,23,25-26,29H,8,12,14-19H2,1-2H3/t23-,25+,26+,28+/m1/s1 ZUIUWQIQNSLVIX-XAUNCYBDSA-N 136545 US8865701, 7::US9505739, 7 Beta-secretase 1 Homo sapiens 22000 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549487 249812871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442086 COC(C)(C)C1CCCCN1C(=O)[C@@H]1CNCC11CCCc2ccccc12 InChI=1S/C23H34N2O2/c1-22(2,27-3)20-12-6-7-14-25(20)21(26)19-15-24-16-23(19)13-8-10-17-9-4-5-11-18(17)23/h4-5,9,11,19-20,24H,6-8,10,12-16H2,1-3H3/t19-,20?,23?/m0/s1 VZSJSTNSKJKXPA-UDTLNKQYSA-N 254103 US9505739, 10 Beta-secretase 1 Homo sapiens 20000 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196671 346548414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442087 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C25H29ClN2O/c26-21-8-9-22-20(15-21)7-4-12-25(22)17-27-16-23(25)24(29)28-13-10-19(11-14-28)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19,23,27H,4,7,10-14,16-17H2/t23-,25-/m0/s1 OSHAQSKTDYUYLA-ZCYQVOJMSA-N 136547 US8865701, 19::US9505739, 19 Beta-secretase 1 Homo sapiens 920 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549638 249812873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442088 O=C([C@@H]1CNC[C@]11CCc2ccccc12)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 InChI=1S/C30H32N2O/c33-29(27-20-31-21-30(27)17-15-23-11-7-8-14-26(23)30)32-18-16-25(22-9-3-1-4-10-22)19-28(32)24-12-5-2-6-13-24/h1-14,25,27-28,31H,15-21H2/t25-,27+,28+,30+/m1/s1 HMBQFZYFRSSQON-DSSYMDFGSA-N 136548 US8865701, 21::US9505739, 21 Beta-secretase 1 Homo sapiens 71 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549427 249812874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442089 Brc1ccc2c(CC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C24H27BrN2O/c25-20-6-7-21-19(14-20)8-11-24(21)16-26-15-22(24)23(28)27-12-9-18(10-13-27)17-4-2-1-3-5-17/h1-7,14,18,22,26H,8-13,15-16H2/t22-,24-/m0/s1 OYCCZVYNVGVLPV-UPVQGACJSA-N 136549 US8865701, 30::US9505739, 30 Beta-secretase 1 Homo sapiens 14000 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549078 249812875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442090 CC(C)c1cccc2c1CCC[C@]21CNC[C@H]1C(=O)N1CCC(CC1)c1ccccc1 InChI=1S/C28H36N2O/c1-20(2)23-10-6-12-25-24(23)11-7-15-28(25)19-29-18-26(28)27(31)30-16-13-22(14-17-30)21-8-4-3-5-9-21/h3-6,8-10,12,20,22,26,29H,7,11,13-19H2,1-2H3/t26-,28-/m0/s1 DERYPBXLNDLVEK-XCZPVHLTSA-N 136550 US8865701, 31::US9505739, 31 Beta-secretase 1 Homo sapiens 24 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46861618 249812876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442091 O=C([C@@H]1CNC[C@]11CCSc2ccccc12)N1CCC(CC1)c1ccccc1 InChI=1S/C24H28N2OS/c27-23(26-13-10-19(11-14-26)18-6-2-1-3-7-18)21-16-25-17-24(21)12-15-28-22-9-5-4-8-20(22)24/h1-9,19,21,25H,10-17H2/t21-,24-/m0/s1 NBWQARVLSJZWOE-URXFXBBRSA-N 136551 US8865701, 38::US9505739, 38 Beta-secretase 1 Homo sapiens 12000 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58548979 249812877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442092 CCc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 InChI=1S/C27H34N2O/c1-2-20-10-11-24-23(17-20)9-6-14-27(24)19-28-18-25(27)26(30)29-15-12-22(13-16-29)21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22,25,28H,2,6,9,12-16,18-19H2,1H3/t25-,27-/m0/s1 MNOYYFZDYQGGQG-BDYUSTAISA-N 136552 US8865701, 44::US9505739, 44 Beta-secretase 1 Homo sapiens 19000 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549314 249812878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442093 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC3(CC2c2ccccc2)C=Cc2ccccc32)n1 InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2/t26-,28?,31?,32-/m0/s1 ZLADFTQKDXFOSW-CWFPHDOSSA-N 136553 US8865701, 77::US9505739, 77 Beta-secretase 1 Homo sapiens 200 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58549593 249812879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 442094 Cc1cccc(c1)C1CC(CCN1C(=O)[C@@H]1CNC[C@]11CCCc2nc(Cl)ccc12)c1ccccc1 InChI=1S/C31H34ClN3O/c1-21-7-5-10-24(17-21)28-18-23(22-8-3-2-4-9-22)14-16-35(28)30(36)26-19-33-20-31(26)15-6-11-27-25(31)12-13-29(32)34-27/h2-5,7-10,12-13,17,23,26,28,33H,6,11,14-16,18-20H2,1H3/t23?,26-,28?,31-/m0/s1 SHGDACKXZZBVAK-RJENHULTSA-N 254104 US9505739, 100 Beta-secretase 1 Homo sapiens 450 6.5 US Patent 10.7270/Q2C53JST aid1803547 US9505739 Stachel, SJ; Coburn, CA; Steele, TG; Wu, H Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90003897 346548415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451220 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H20F2N4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 IXNHXYGWJABLFS-IBGZPJMESA-N 258891 US9499502, 1 Beta-secretase 1 Homo sapiens 1.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562572 350083593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451221 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C19H19F3N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-7-11(4-5-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 FHMBZKIOXUIBRB-IBGZPJMESA-N 258892 US9499502, 2 Beta-secretase 1 Homo sapiens 0.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562667 350083594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451222 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 HVMRBCNORJDLCW-IBGZPJMESA-N 258893 US9499502, 3 Beta-secretase 1 Homo sapiens 0.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562573 350083595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451223 Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H23FN4O3S/c1-12-5-8-16(23-10-12)17(26)24-13-6-7-15(21)14(9-13)20(4)11-29(27,28)19(2,3)18(22)25-20/h5-10H,11H2,1-4H3,(H2,22,25)(H,24,26)/t20-/m0/s1 OYKYKQDWTVOZPY-FQEVSTJZSA-N 258894 US9499502, 4 Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562668 350083596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451224 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LMHDJRUKZXENER-IBGZPJMESA-N 258895 US9499502, 5 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562362 350083597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451225 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H20F4N4O3S/c1-18(2)17(25)28-19(3,10-32(18,30)31)13-8-12(5-6-14(13)21)27-16(29)15-7-4-11(9-26-15)20(22,23)24/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t19-/m0/s1 SCNPRYSPQJETHY-IBGZPJMESA-N 258896 US9499502, 6 Beta-secretase 1 Homo sapiens 0.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562666 350083598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451226 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-7-11(4-5-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 QDKKAFVEGFXSCW-IBGZPJMESA-N 258897 US9499502, 7 Beta-secretase 1 Homo sapiens 0.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562571 350083599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451227 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C20H21ClFN3O3S/c1-19(2)18(23)25-20(3,11-29(19,27)28)15-10-14(8-9-16(15)22)24-17(26)12-4-6-13(21)7-5-12/h4-10H,11H2,1-3H3,(H2,23,25)(H,24,26)/t20-/m0/s1 NTOUGJLSZMJNRG-FQEVSTJZSA-N 258898 US9499502, 8 Beta-secretase 1 Homo sapiens 19 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562669 350083600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451228 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C19H19Cl2FN4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-7-11(4-5-14(12)22)25-16(27)15-13(21)6-10(20)8-24-15/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 FFOPNBRCPXGXIQ-IBGZPJMESA-N 258899 US9499502, 9 Beta-secretase 1 Homo sapiens <0.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66553193 350083601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451229 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H23FN4O4S/c1-19(2)18(22)25-20(3,11-30(19,27)28)14-9-12(5-7-15(14)21)24-17(26)16-8-6-13(29-4)10-23-16/h5-10H,11H2,1-4H3,(H2,22,25)(H,24,26)/t20-/m0/s1 XUTZNLTZWSGTCL-FQEVSTJZSA-N 258900 US9499502, 9a Beta-secretase 1 Homo sapiens 4.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669986 350083602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451230 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H20FN5O3S/c1-19(2)18(23)26-20(3,11-30(19,28)29)14-8-13(5-6-15(14)21)25-17(27)16-7-4-12(9-22)10-24-16/h4-8,10H,11H2,1-3H3,(H2,23,26)(H,25,27)/t20-/m0/s1 SQPMMXMVMZGIEG-FQEVSTJZSA-N 258901 US9499502, 9b Beta-secretase 1 Homo sapiens <0.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562670 350083603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451231 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H21F3N4O4S/c1-19(2)17(24)27-20(3,10-32(19,29)30)13-8-11(4-6-14(13)21)26-16(28)15-7-5-12(9-25-15)31-18(22)23/h4-9,18H,10H2,1-3H3,(H2,24,27)(H,26,28)/t20-/m0/s1 FVPJKQJIMFPNPL-FQEVSTJZSA-N 258902 US9499502, 9c Beta-secretase 1 Homo sapiens 0.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562363 350083604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451232 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1 InChI=1S/C20H22F2N4O4S/c1-19(2)18(23)26-20(3,10-31(19,28)29)13-7-11(5-6-14(13)21)25-17(27)16-15(22)8-12(30-4)9-24-16/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1 QDDMYLHCJOACSD-FQEVSTJZSA-N 258903 US9499502, 9d Beta-secretase 1 Homo sapiens 5.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138934 350083605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451233 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H19F4N5O3S/c1-17(2)16(24)28-18(3,9-32(17,30)31)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(8-25-13)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t18-/m0/s1 YWTKWRVWZMDOMN-SFHVURJKSA-N 258904 US9499502, 9e Beta-secretase 1 Homo sapiens 0.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562364 350083606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451234 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cc2F)ccc1F InChI=1S/C20H20F3N3O3S/c1-19(2)18(24)26-20(3,10-30(19,28)29)14-9-12(5-7-15(14)22)25-17(27)13-6-4-11(21)8-16(13)23/h4-9H,10H2,1-3H3,(H2,24,26)(H,25,27)/t20-/m0/s1 SKJAYJDIZAUBDV-FQEVSTJZSA-N 258905 US9499502, 9f Beta-secretase 1 Homo sapiens 11 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094861 350083607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451235 Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H20FN5O4S/c1-9-20-13(23-27-9)14(24)21-10-5-6-12(18)11(7-10)17(4)8-28(25,26)16(2,3)15(19)22-17/h5-7H,8H2,1-4H3,(H2,19,22)(H,21,24)/t17-/m0/s1 TZSUMHQMHPAQBL-KRWDZBQOSA-N 258906 US9499502, 9g Beta-secretase 1 Homo sapiens 1.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562671 350083608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451236 Cc1noc(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H20FN5O4S/c1-9-20-14(27-23-9)13(24)21-10-5-6-12(18)11(7-10)17(4)8-28(25,26)16(2,3)15(19)22-17/h5-7H,8H2,1-4H3,(H2,19,22)(H,21,24)/t17-/m0/s1 NTTQOIKGXAMGEV-KRWDZBQOSA-N 258907 US9499502, 9h Beta-secretase 1 Homo sapiens 2.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094862 350083609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451237 Cc1nnc(o1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H20FN5O4S/c1-9-22-23-14(27-9)13(24)20-10-5-6-12(18)11(7-10)17(4)8-28(25,26)16(2,3)15(19)21-17/h5-7H,8H2,1-4H3,(H2,19,21)(H,20,24)/t17-/m0/s1 NCCXDVHAQXDJBE-KRWDZBQOSA-N 258908 US9499502, 9i Beta-secretase 1 Homo sapiens 185 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094863 350083610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451238 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C18H20F3N5O3S/c1-17(2)15(22)24-18(3,9-30(17,28)29)11-8-10(4-5-12(11)19)23-14(27)13-6-7-26(25-13)16(20)21/h4-8,16H,9H2,1-3H3,(H2,22,24)(H,23,27)/t18-/m0/s1 FXYJNHPENOFRMR-SFHVURJKSA-N 258909 US9499502, 9j Beta-secretase 1 Homo sapiens 0.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562763 350083611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451239 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C22H26FN5O4S/c1-21(2)20(24)28-22(3,12-33(21,30)31)15-8-14(6-7-16(15)23)27-19(29)17-9-26-18(10-25-17)32-11-13-4-5-13/h6-10,13H,4-5,11-12H2,1-3H3,(H2,24,28)(H,27,29)/t22-/m0/s1 QXXILWIQQCMRJP-QFIPXVFZSA-N 258910 US9499502, 9p Beta-secretase 1 Homo sapiens 2.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562764 350083612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451240 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H20F3N5O3S/c1-18(2)17(23)27-19(3,9-31(18,29)30)11-6-10(4-5-12(11)20)26-16(28)14-8-24-13(7-25-14)15(21)22/h4-8,15H,9H2,1-3H3,(H2,23,27)(H,26,28)/t19-/m0/s1 PRODEHRJOZCZNV-IBGZPJMESA-N 258911 US9499502, 9q Beta-secretase 1 Homo sapiens 3.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548197 350083613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451241 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)cc(F)c1F InChI=1S/C19H19F3N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 KEGHVSLECPSGMJ-IBGZPJMESA-N 258912 US9499502, 9k Beta-secretase 1 Homo sapiens 9.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562365 350083614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451242 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 VDJQZEYADVRHBV-IBGZPJMESA-N 258913 US9499502, 9l Beta-secretase 1 Homo sapiens 4.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562366 350083615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451243 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H22F2N4O4S/c1-19(2)18(23)26-20(3,10-31(19,28)29)13-7-11(8-14(21)16(13)22)25-17(27)15-6-5-12(30-4)9-24-15/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1 OXAQWIUJJGPTSG-FQEVSTJZSA-N 258914 US9499502, 9m Beta-secretase 1 Homo sapiens 7.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562765 350083616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451244 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21F2N5O4S/c1-18(2)17(22)26-19(3,9-31(18,28)29)11-5-10(6-12(20)15(11)21)25-16(27)13-7-24-14(30-4)8-23-13/h5-8H,9H2,1-4H3,(H2,22,26)(H,25,27)/t19-/m0/s1 PCIZLWFYEMMQSK-IBGZPJMESA-N 258915 US9499502, 9n Beta-secretase 1 Homo sapiens 6.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562367 350083617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451245 COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1 InChI=1S/C20H21F3N4O4S/c1-19(2)18(24)27-20(3,9-32(19,29)30)12-5-10(6-13(21)15(12)23)26-17(28)16-14(22)7-11(31-4)8-25-16/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,28)/t20-/m0/s1 NYBUFMMBZQXQOA-FQEVSTJZSA-N 258916 US9499502, 9o Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094865 350083618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451246 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F InChI=1S/C19H19F4N5O3S/c1-18(2)17(24)28-19(3,8-32(18,30)31)10-4-9(5-11(20)14(10)21)27-16(29)13-7-25-12(6-26-13)15(22)23/h4-7,15H,8H2,1-3H3,(H2,24,28)(H,27,29)/t19-/m0/s1 WSTATZKBJIAWLZ-IBGZPJMESA-N 258917 US9499502, 9r Beta-secretase 1 Homo sapiens 5.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562766 350083619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451247 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)cc(Cl)c1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(20)15(12)22)25-16(27)14-5-4-10(21)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 QVROUMCNQYYKQF-IBGZPJMESA-N 258918 US9499502, 9s Beta-secretase 1 Homo sapiens 6.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095030 350083620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451248 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(Cl)c1F InChI=1S/C19H19Cl2FN4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 JYPCIVPGVFTWFK-IBGZPJMESA-N 258919 US9499502, 9t Beta-secretase 1 Homo sapiens 3.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562767 350083621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451249 COc1ccc(nc1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H22ClFN4O4S/c1-19(2)18(23)26-20(3,10-31(19,28)29)13-7-11(8-14(21)16(13)22)25-17(27)15-6-5-12(30-4)9-24-15/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1 GJEHYZOSGZEFFS-FQEVSTJZSA-N 258920 US9499502, 9u Beta-secretase 1 Homo sapiens 5.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095028 350083622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451250 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(Cl)c1F InChI=1S/C20H19ClF4N4O3S/c1-18(2)17(26)29-19(3,9-33(18,31)32)12-6-11(7-13(21)15(12)22)28-16(30)14-5-4-10(8-27-14)20(23,24)25/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t19-/m0/s1 ALBXLBXZAXXFLJ-IBGZPJMESA-N 258921 US9499502, 9v Beta-secretase 1 Homo sapiens 9.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095031 350083623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451251 COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21ClFN5O4S/c1-18(2)17(22)26-19(3,9-31(18,28)29)11-5-10(6-12(20)15(11)21)25-16(27)13-7-24-14(30-4)8-23-13/h5-8H,9H2,1-4H3,(H2,22,26)(H,25,27)/t19-/m0/s1 DNGJVURDCCXRQD-IBGZPJMESA-N 258922 US9499502, 9w Beta-secretase 1 Homo sapiens 4.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095032 350083624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451252 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F InChI=1S/C19H19F3N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)14-11(21)5-7-12(15(14)22)25-16(27)13-6-4-10(20)8-24-13/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 GMSQNHWKNHFWBT-IBGZPJMESA-N 258923 US9499502, 9x Beta-secretase 1 Homo sapiens 27.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094871 350083625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451253 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H22F2N4O4S/c1-19(2)18(23)26-20(3,10-31(19,28)29)15-12(21)6-8-13(16(15)22)25-17(27)14-7-5-11(30-4)9-24-14/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1 VPFQLLWQBBTNAJ-FQEVSTJZSA-N 258924 US9499502, 9y Beta-secretase 1 Homo sapiens 44 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095217 350083626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451254 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21F2N5O4S/c1-18(2)17(22)26-19(3,9-31(18,28)29)14-10(20)5-6-11(15(14)21)25-16(27)12-7-24-13(30-4)8-23-12/h5-8H,9H2,1-4H3,(H2,22,26)(H,25,27)/t19-/m0/s1 WJRJCVKZWPGNOY-IBGZPJMESA-N 258925 US9499502, 9z Beta-secretase 1 Homo sapiens 52.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562768 350083627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451255 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1c(F)c(F)cc(NC(=O)c2ccc(F)cn2)c1F InChI=1S/C19H18F4N4O3S/c1-18(2)17(24)27-19(3,8-31(18,29)30)13-14(22)10(21)6-12(15(13)23)26-16(28)11-5-4-9(20)7-25-11/h4-7H,8H2,1-3H3,(H2,24,27)(H,26,28)/t19-/m0/s1 ARJRJSVTBILVQH-IBGZPJMESA-N 258926 US9499502, 9aa Beta-secretase 1 Homo sapiens 35.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094869 350083628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451256 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)c(F)cc(NC(=O)c2ccc(Cl)cn2)c1F InChI=1S/C19H18ClF3N4O3S/c1-18(2)17(24)27-19(3,8-31(18,29)30)13-14(22)10(21)6-12(15(13)23)26-16(28)11-5-4-9(20)7-25-11/h4-7H,8H2,1-3H3,(H2,24,27)(H,26,28)/t19-/m0/s1 RXEPCKJQYHTXHQ-IBGZPJMESA-N 258927 US9499502, 9ab Beta-secretase 1 Homo sapiens 9.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095220 350083629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451257 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H21F3N4O4S/c1-19(2)18(24)27-20(3,9-32(19,29)30)14-15(22)11(21)7-13(16(14)23)26-17(28)12-6-5-10(31-4)8-25-12/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,28)/t20-/m0/s1 XXOOZXXXKWDLIY-FQEVSTJZSA-N 258928 US9499502, 9ac Beta-secretase 1 Homo sapiens 18.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095218 350083630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451258 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1c(F)c(F)cc(NC(=O)c2ccc(cn2)C(F)(F)F)c1F InChI=1S/C20H18F6N4O3S/c1-18(2)17(27)30-19(3,8-34(18,32)33)13-14(22)10(21)6-12(15(13)23)29-16(31)11-5-4-9(7-28-11)20(24,25)26/h4-7H,8H2,1-3H3,(H2,27,30)(H,29,31)/t19-/m0/s1 JADYCCFHKXKMSB-IBGZPJMESA-N 258929 US9499502, 9ad Beta-secretase 1 Homo sapiens 7.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562860 350083631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451259 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H20F3N5O4S/c1-18(2)17(23)27-19(3,8-32(18,29)30)13-14(21)9(20)5-10(15(13)22)26-16(28)11-6-25-12(31-4)7-24-11/h5-7H,8H2,1-4H3,(H2,23,27)(H,26,28)/t19-/m0/s1 HVCPNUIXHPQNFR-IBGZPJMESA-N 258930 US9499502, 9ae Beta-secretase 1 Homo sapiens 45.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094870 350083632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451260 CC1(COC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H24FN3O4S/c1-16(2)14(20)22-18(4,10-27(16,24)25)12-7-11(5-6-13(12)19)21-15(23)17(3)8-26-9-17/h5-7H,8-10H2,1-4H3,(H2,20,22)(H,21,23)/t18-/m0/s1 VEXWTINZVXKXBZ-SFHVURJKSA-N 258931 US9499502, 9af Beta-secretase 1 Homo sapiens 739 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562861 350083633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451261 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC(F)(F)F)ccc1F InChI=1S/C16H19F4N3O3S/c1-14(2)13(21)23-15(3,8-27(14,25)26)10-6-9(4-5-11(10)17)22-12(24)7-16(18,19)20/h4-6H,7-8H2,1-3H3,(H2,21,23)(H,22,24)/t15-/m0/s1 VQHARPRCUQTSRZ-HNNXBMFYSA-N 258932 US9499502, 9ag Beta-secretase 1 Homo sapiens 663 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095159 350083634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451262 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2(CC2)C#N)ccc1F InChI=1S/C18H21FN4O3S/c1-16(2)14(21)23-17(3,10-27(16,25)26)12-8-11(4-5-13(12)19)22-15(24)18(9-20)6-7-18/h4-5,8H,6-7,10H2,1-3H3,(H2,21,23)(H,22,24)/t17-/m0/s1 NZQFHOHJTWFFRR-KRWDZBQOSA-N 258933 US9499502, 9ah Beta-secretase 1 Homo sapiens 210 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562862 350083635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451263 CC(F)(F)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H20F3N3O3S/c1-14(2)12(20)22-15(3,8-26(14,24)25)10-7-9(5-6-11(10)17)21-13(23)16(4,18)19/h5-7H,8H2,1-4H3,(H2,20,22)(H,21,23)/t15-/m0/s1 IYRBXXIGHWZJGZ-HNNXBMFYSA-N 258934 US9499502, 9ai Beta-secretase 1 Homo sapiens 82 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562863 350083636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451264 CC1(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H24FN3O3S/c1-16(2)14(20)22-18(4,10-26(16,24)25)12-9-11(5-6-13(12)19)21-15(23)17(3)7-8-17/h5-6,9H,7-8,10H2,1-4H3,(H2,20,22)(H,21,23)/t18-/m0/s1 JSHPIUJXGLKASD-SFHVURJKSA-N 258935 US9499502, 9aj Beta-secretase 1 Homo sapiens 1494 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094882 350083637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451265 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H22FN5O3S/c1-11-8-23-15(9-22-11)16(26)24-12-5-6-14(20)13(7-12)19(4)10-29(27,28)18(2,3)17(21)25-19/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 ZPCAFYZFQQTHRZ-IBGZPJMESA-N 258936 US9499502, 9ak Beta-secretase 1 Homo sapiens 26 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715813 350083638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451266 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)[C@H]2CCCO2)ccc1F InChI=1S/C18H24FN3O4S/c1-17(2)16(20)22-18(3,10-27(17,24)25)12-9-11(6-7-13(12)19)21-15(23)14-5-4-8-26-14/h6-7,9,14H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t14-,18+/m1/s1 CDSWIMKNSYLPBK-KDOFPFPSSA-N 258937 US9499502, 9al Beta-secretase 1 Homo sapiens 172 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562864 350083639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451267 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C17H22FN3O3S/c1-16(2)15(19)21-17(3,9-25(16,23)24)12-8-11(6-7-13(12)18)20-14(22)10-4-5-10/h6-8,10H,4-5,9H2,1-3H3,(H2,19,21)(H,20,22)/t17-/m0/s1 SOZURKJWQHRDGZ-KRWDZBQOSA-N 258938 US9499502, 9am Beta-secretase 1 Homo sapiens 359 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094885 350083640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451268 CC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C15H20FN3O3S/c1-9(20)18-10-5-6-12(16)11(7-10)15(4)8-23(21,22)14(2,3)13(17)19-15/h5-7H,8H2,1-4H3,(H2,17,19)(H,18,20)/t15-/m0/s1 QJGMHDHBHISMMB-HNNXBMFYSA-N 258939 US9499502, 9an Beta-secretase 1 Homo sapiens 1444 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562865 350083641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451269 Cc1noc(CC(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 InChI=1S/C18H22FN5O4S/c1-10-21-15(28-24-10)8-14(25)22-11-5-6-13(19)12(7-11)18(4)9-29(26,27)17(2,3)16(20)23-18/h5-7H,8-9H2,1-4H3,(H2,20,23)(H,22,25)/t18-/m0/s1 TVBJHMYSHOTHOU-SFHVURJKSA-N 258940 US9499502, 9ao Beta-secretase 1 Homo sapiens 3238 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094949 350083642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451270 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)ccc1F InChI=1S/C17H19FN4O4S/c1-16(2)15(19)22-17(3,8-27(16,24)25)11-6-10(4-5-12(11)18)21-14(23)13-7-26-9-20-13/h4-7,9H,8H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1 CCDBGYQULIRJPM-KRWDZBQOSA-N 258941 US9499502, 9ap Beta-secretase 1 Homo sapiens 39 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094950 350083643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451271 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2)ccc1F InChI=1S/C18H24FN3O3S/c1-17(2)16(20)22-18(3,10-26(17,24)25)13-9-12(7-8-14(13)19)21-15(23)11-5-4-6-11/h7-9,11H,4-6,10H2,1-3H3,(H2,20,22)(H,21,23)/t18-/m0/s1 IJTSJTZGLJYTQI-SFHVURJKSA-N 258942 US9499502, 9aq Beta-secretase 1 Homo sapiens 476 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562866 350083644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451272 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC2CC2)ccc1F InChI=1S/C18H24FN3O3S/c1-17(2)16(20)22-18(3,10-26(17,24)25)13-9-12(6-7-14(13)19)21-15(23)8-11-4-5-11/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t18-/m0/s1 QQPUUBKKAPJRCL-SFHVURJKSA-N 258943 US9499502, 9ar Beta-secretase 1 Homo sapiens 915 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094879 350083645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451273 CCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H22FN3O3S/c1-5-13(21)19-10-6-7-12(17)11(8-10)16(4)9-24(22,23)15(2,3)14(18)20-16/h6-8H,5,9H2,1-4H3,(H2,18,20)(H,19,21)/t16-/m0/s1 SHJHFQYWYVJZEA-INIZCTEOSA-N 258944 US9499502, 9as Beta-secretase 1 Homo sapiens 521 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094874 350083646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451274 COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H22FN3O4S/c1-15(2)14(18)20-16(3,9-25(15,22)23)11-7-10(5-6-12(11)17)19-13(21)8-24-4/h5-7H,8-9H2,1-4H3,(H2,18,20)(H,19,21)/t16-/m0/s1 KTRWPFQZWIRZRO-INIZCTEOSA-N 258945 US9499502, 9at Beta-secretase 1 Homo sapiens 60 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562957 350083647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451275 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)C(F)F)ccc1F InChI=1S/C15H18F3N3O3S/c1-14(2)13(19)21-15(3,7-25(14,23)24)9-6-8(4-5-10(9)16)20-12(22)11(17)18/h4-6,11H,7H2,1-3H3,(H2,19,21)(H,20,22)/t15-/m0/s1 KZHHGWZRVHNVGN-HNNXBMFYSA-N 258946 US9499502, 9au Beta-secretase 1 Homo sapiens 195 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562958 350083648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451276 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)C2CCOCC2)ccc1F InChI=1S/C19H26FN3O4S/c1-18(2)17(21)23-19(3,11-28(18,25)26)14-10-13(4-5-15(14)20)22-16(24)12-6-8-27-9-7-12/h4-5,10,12H,6-9,11H2,1-3H3,(H2,21,23)(H,22,24)/t19-/m0/s1 UBRUXOAFMGEIQY-IBGZPJMESA-N 258947 US9499502, 9av Beta-secretase 1 Homo sapiens 8585 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094880 350083649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451277 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2(F)F)ccc1F InChI=1S/C18H22F3N3O3S/c1-16(2)15(22)24-17(3,9-28(16,26)27)12-8-10(4-5-13(12)19)23-14(25)11-6-7-18(11,20)21/h4-5,8,11H,6-7,9H2,1-3H3,(H2,22,24)(H,23,25)/t11?,17-/m0/s1 DEQBGKOLUVGSOL-KLLZUTDZSA-N 258948 US9499502, 9aw Beta-secretase 1 Homo sapiens 299 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562959 350083650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451278 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccno2)ccc1F InChI=1S/C17H19FN4O4S/c1-16(2)15(19)22-17(3,9-27(16,24)25)11-8-10(4-5-12(11)18)21-14(23)13-6-7-20-26-13/h4-8H,9H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1 OCBCKNNSQWMJMI-KRWDZBQOSA-N 258949 US9499502, 9ax Beta-secretase 1 Homo sapiens 82 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094873 350083651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451279 CC1(CC1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H23F2N3O3S/c1-16(2)14(21)23-18(4,9-27(16,25)26)11-7-10(8-12(19)13(11)20)22-15(24)17(3)5-6-17/h7-8H,5-6,9H2,1-4H3,(H2,21,23)(H,22,24)/t18-/m0/s1 DBIGIUKPZQRNDS-SFHVURJKSA-N 258950 US9499502, 9az Beta-secretase 1 Homo sapiens 708 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094954 350083652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451280 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)cc(F)c1F InChI=1S/C19H18F4N4O3S/c1-18(2)17(24)27-19(3,8-31(18,29)30)11-5-10(6-12(21)14(11)23)26-16(28)15-13(22)4-9(20)7-25-15/h4-7H,8H2,1-3H3,(H2,24,27)(H,26,28)/t19-/m0/s1 TYKNJIJSJJKNDB-IBGZPJMESA-N 258951 US9499502, 9ba Beta-secretase 1 Homo sapiens 21 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562961 350083653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451281 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC(F)(F)F)cc(F)c1F InChI=1S/C16H18F5N3O3S/c1-14(2)13(22)24-15(3,7-28(14,26)27)9-4-8(5-10(17)12(9)18)23-11(25)6-16(19,20)21/h4-5H,6-7H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1 FSJATKPMYQTPNW-HNNXBMFYSA-N 258952 US9499502, 9bc Beta-secretase 1 Homo sapiens 703 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094946 350083654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451282 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)C(F)F)cc(F)c1F InChI=1S/C15H17F4N3O3S/c1-14(2)13(20)22-15(3,6-26(14,24)25)8-4-7(5-9(16)10(8)17)21-12(23)11(18)19/h4-5,11H,6H2,1-3H3,(H2,20,22)(H,21,23)/t15-/m0/s1 GROCMHLUXPORAE-HNNXBMFYSA-N 258953 US9499502, 9bd Beta-secretase 1 Homo sapiens 233 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094947 350083655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451283 CCC(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H21F2N3O3S/c1-5-12(22)20-9-6-10(13(18)11(17)7-9)16(4)8-25(23,24)15(2,3)14(19)21-16/h6-7H,5,8H2,1-4H3,(H2,19,21)(H,20,22)/t16-/m0/s1 DGNMTVLFVQICAX-INIZCTEOSA-N 258954 US9499502, 9be Beta-secretase 1 Homo sapiens 429 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094948 350083656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451284 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(F)c1F InChI=1S/C20H19F5N4O3S/c1-18(2)17(26)29-19(3,9-33(18,31)32)12-6-11(7-13(21)15(12)22)28-16(30)14-5-4-10(8-27-14)20(23,24)25/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t19-/m0/s1 IKSBELYCEUFIHH-IBGZPJMESA-N 258955 US9499502, 9bf Beta-secretase 1 Homo sapiens 25 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562962 350083657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451285 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C20H19F2N5O3S/c1-19(2)18(24)27-20(3,10-31(19,29)30)13-6-12(7-14(21)16(13)22)26-17(28)15-5-4-11(8-23)9-25-15/h4-7,9H,10H2,1-3H3,(H2,24,27)(H,26,28)/t20-/m0/s1 OQHATYXLJNAXPH-FQEVSTJZSA-N 258956 US9499502, 9bg Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258956&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094955 350083658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451286 Cc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H22F2N4O3S/c1-11-5-6-15(24-9-11)17(27)25-12-7-13(16(22)14(21)8-12)20(4)10-30(28,29)19(2,3)18(23)26-20/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1 KVYQRJSWPRRNAF-FQEVSTJZSA-N 258957 US9499502, 9bh Beta-secretase 1 Homo sapiens 13 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563056 350083659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451287 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2)cc(F)c1F InChI=1S/C20H20ClF2N3O3S/c1-19(2)18(24)26-20(3,10-30(19,28)29)14-8-13(9-15(22)16(14)23)25-17(27)11-4-6-12(21)7-5-11/h4-9H,10H2,1-3H3,(H2,24,26)(H,25,27)/t20-/m0/s1 MBVSHWRVUHFRMM-FQEVSTJZSA-N 258958 US9499502, 9bi Beta-secretase 1 Homo sapiens 22 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094956 350083660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451288 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2(CC2)C#N)cc(F)c1F InChI=1S/C18H20F2N4O3S/c1-16(2)14(22)24-17(3,9-28(16,26)27)11-6-10(7-12(19)13(11)20)23-15(25)18(8-21)4-5-18/h6-7H,4-5,9H2,1-3H3,(H2,22,24)(H,23,25)/t17-/m0/s1 XFNPKMCWGFQSND-KRWDZBQOSA-N 258959 US9499502, 9bj Beta-secretase 1 Homo sapiens 485 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094963 350083661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451289 COCC(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H21F2N3O4S/c1-15(2)14(19)21-16(3,8-26(15,23)24)10-5-9(6-11(17)13(10)18)20-12(22)7-25-4/h5-6H,7-8H2,1-4H3,(H2,19,21)(H,20,22)/t16-/m0/s1 MOQYEOMDROTSCP-INIZCTEOSA-N 258960 US9499502, 9bk Beta-secretase 1 Homo sapiens 112 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563057 350083662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451290 CC(F)(F)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H19F4N3O3S/c1-14(2)12(21)23-15(3,7-27(14,25)26)9-5-8(6-10(17)11(9)18)22-13(24)16(4,19)20/h5-6H,7H2,1-4H3,(H2,21,23)(H,22,24)/t15-/m0/s1 SSHXWPDCUDIQNH-HNNXBMFYSA-N 258961 US9499502, 9bl Beta-secretase 1 Homo sapiens 79 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094951 350083663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451291 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)[C@H]2CCCO2)cc(F)c1F InChI=1S/C18H23F2N3O4S/c1-17(2)16(21)23-18(3,9-28(17,25)26)11-7-10(8-12(19)14(11)20)22-15(24)13-5-4-6-27-13/h7-8,13H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t13-,18+/m1/s1 NYKPPWOSEHBBRT-ACJLOTCBSA-N 258962 US9499502, 9bm Beta-secretase 1 Homo sapiens 218 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563058 350083664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451292 CC(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C15H19F2N3O3S/c1-8(21)19-9-5-10(12(17)11(16)6-9)15(4)7-24(22,23)14(2,3)13(18)20-15/h5-6H,7H2,1-4H3,(H2,18,20)(H,19,21)/t15-/m0/s1 KUJNPRLBIAHYQF-HNNXBMFYSA-N 258963 US9499502, 9bn Beta-secretase 1 Homo sapiens 1022 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563059 350083665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451293 Cc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21F2N5O3S/c1-10-7-24-14(8-23-10)16(27)25-11-5-12(15(21)13(20)6-11)19(4)9-30(28,29)18(2,3)17(22)26-19/h5-8H,9H2,1-4H3,(H2,22,26)(H,25,27)/t19-/m0/s1 FNCDVWGVMRRSPW-IBGZPJMESA-N 258964 US9499502, 9bo Beta-secretase 1 Homo sapiens 69 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563060 350083666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451294 CC1(COC1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H23F2N3O4S/c1-16(2)14(21)23-18(4,9-28(16,25)26)11-5-10(6-12(19)13(11)20)22-15(24)17(3)7-27-8-17/h5-6H,7-9H2,1-4H3,(H2,21,23)(H,22,24)/t18-/m0/s1 PSMAONNLLQTXNR-SFHVURJKSA-N 258965 US9499502, 9bp Beta-secretase 1 Homo sapiens 1151 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563061 350083667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451295 Cc1noc(CC(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 InChI=1S/C18H21F2N5O4S/c1-9-22-14(29-25-9)7-13(26)23-10-5-11(15(20)12(19)6-10)18(4)8-30(27,28)17(2,3)16(21)24-18/h5-6H,7-8H2,1-4H3,(H2,21,24)(H,23,26)/t18-/m0/s1 WANKPVKAERHOSW-SFHVURJKSA-N 258966 US9499502, 9bq Beta-secretase 1 Homo sapiens 4961 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094959 350083668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451296 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2(F)F)cc(F)c1F InChI=1S/C18H21F4N3O3S/c1-16(2)15(23)25-17(3,8-29(16,27)28)11-6-9(7-12(19)13(11)20)24-14(26)10-4-5-18(10,21)22/h6-7,10H,4-5,8H2,1-3H3,(H2,23,25)(H,24,26)/t10?,17-/m0/s1 ODFQLKLNTCZZTK-LKDXBUKQSA-N 258967 US9499502, 9br Beta-secretase 1 Homo sapiens 610 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094952 350083669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451297 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccno2)cc(F)c1F InChI=1S/C17H18F2N4O4S/c1-16(2)15(20)23-17(3,8-28(16,25)26)10-6-9(7-11(18)13(10)19)22-14(24)12-4-5-21-27-12/h4-7H,8H2,1-3H3,(H2,20,23)(H,22,24)/t17-/m0/s1 HGCVJIPWAJOPOR-KRWDZBQOSA-N 258968 US9499502, 9bs Beta-secretase 1 Homo sapiens 171 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094957 350083670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451298 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2)cc(F)c1F InChI=1S/C18H23F2N3O3S/c1-17(2)16(21)23-18(3,9-27(17,25)26)12-7-11(8-13(19)14(12)20)22-15(24)10-5-4-6-10/h7-8,10H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t18-/m0/s1 YTCKFTQCOKLTKM-SFHVURJKSA-N 258969 US9499502, 9bt Beta-secretase 1 Homo sapiens 721 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094965 350083671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451299 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)cc(F)c1F InChI=1S/C17H18F2N4O4S/c1-16(2)15(20)23-17(3,7-28(16,25)26)10-4-9(5-11(18)13(10)19)22-14(24)12-6-27-8-21-12/h4-6,8H,7H2,1-3H3,(H2,20,23)(H,22,24)/t17-/m0/s1 SAMYFOBCOCFQNG-KRWDZBQOSA-N 258970 US9499502, 9bu Beta-secretase 1 Homo sapiens 42 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095161 350083672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451300 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC2CC2)cc(F)c1F InChI=1S/C18H23F2N3O3S/c1-17(2)16(21)23-18(3,9-27(17,25)26)12-7-11(8-13(19)15(12)20)22-14(24)6-10-4-5-10/h7-8,10H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t18-/m0/s1 QVYWFJDBOFQKMZ-SFHVURJKSA-N 258971 US9499502, 9bv Beta-secretase 1 Homo sapiens 1335 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094953 350083673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451301 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)Cc2ncccn2)cc(F)c1F InChI=1S/C19H21F2N5O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)12-7-11(8-13(20)16(12)21)25-15(27)9-14-23-5-4-6-24-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t19-/m0/s1 VUIFAVGXNNGYBU-IBGZPJMESA-N 258972 US9499502, 9bx Beta-secretase 1 Homo sapiens 7074 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563156 350083674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451302 COc1cnc(cn1)C(=O)Nc1cc(c(F)cc1Br)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21BrFN5O4S/c1-18(2)17(22)26-19(3,9-31(18,28)29)10-5-13(11(20)6-12(10)21)25-16(27)14-7-24-15(30-4)8-23-14/h5-8H,9H2,1-4H3,(H2,22,26)(H,25,27)/t19-/m0/s1 MCFYSKMIEFBNKF-IBGZPJMESA-N 258973 US9499502, 9by Beta-secretase 1 Homo sapiens 718 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094958 350083675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451303 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(O)cn2)ccc1F InChI=1S/C18H20FN5O4S/c1-17(2)16(20)24-18(3,9-29(17,27)28)11-6-10(4-5-12(11)19)23-15(26)13-7-22-14(25)8-21-13/h4-8H,9H2,1-3H3,(H2,20,24)(H,22,25)(H,23,26)/t18-/m0/s1 HJJCDTGCXVTDHN-SFHVURJKSA-N 258974 US9499502, 9bz Beta-secretase 1 Homo sapiens 13 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094878 350083676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451304 CCC1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H20F2N4O3S/c1-3-16-17(22)25-19(2,10-29(16,27)28)13-8-12(5-6-14(13)21)24-18(26)15-7-4-11(20)9-23-15/h4-9,16H,3,10H2,1-2H3,(H2,22,25)(H,24,26)/t16?,19-/m0/s1 HXHNWBAGUAZKKZ-CVMIBEPCSA-N 258975 US9499502, 9ca Beta-secretase 1 Homo sapiens 33 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095035 350083677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451305 C[C@]1(CS(=O)(=O)C(C)(N)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H18FN7O3S/c1-17(9-30(28,29)18(2,22)16(21)26-17)14-11(19)4-6-13(24-14)25-15(27)12-5-3-10(7-20)8-23-12/h3-6,8H,9,22H2,1-2H3,(H2,21,26)(H,24,25,27)/t17-,18?/m0/s1 RUWKWKGKMMNQGR-ZENAZSQFSA-N 258976 US9499502, 9cb Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953973 350083678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451306 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H19ClFN5O3S/c1-17(2)16(21)25-18(3,9-29(17,27)28)14-11(20)5-7-13(23-14)24-15(26)12-6-4-10(19)8-22-12/h4-8H,9H2,1-3H3,(H2,21,25)(H,23,24,26)/t18-/m0/s1 BAHYIASQOBRVHX-SFHVURJKSA-N 258977 US9499502, 9cc Beta-secretase 1 Homo sapiens 13.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095134 350083679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451307 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H19F2N5O3S/c1-17(2)16(21)25-18(3,9-29(17,27)28)14-11(20)5-7-13(23-14)24-15(26)12-6-4-10(19)8-22-12/h4-8H,9H2,1-3H3,(H2,21,25)(H,23,24,26)/t18-/m0/s1 QTQYBOATYGMCRW-SFHVURJKSA-N 258978 US9499502, 9cd Beta-secretase 1 Homo sapiens 48 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095367 350083680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451308 COc1ccc(nc1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)15-12(20)6-8-14(23-15)24-16(26)13-7-5-11(29-4)9-22-13/h5-9H,10H2,1-4H3,(H2,21,25)(H,23,24,26)/t19-/m0/s1 MSVXRFUWKWRUDP-IBGZPJMESA-N 258979 US9499502, 9ce Beta-secretase 1 Homo sapiens 55.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094939 350083681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451309 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H19F4N5O3S/c1-17(2)16(24)28-18(3,9-32(17,30)31)14-11(20)5-7-13(26-14)27-15(29)12-6-4-10(8-25-12)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,26,27,29)/t18-/m0/s1 AYAJTJLCHBONCD-SFHVURJKSA-N 258980 US9499502, 9cf Beta-secretase 1 Homo sapiens 25.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095361 350083682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451310 COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H21FN6O4S/c1-17(2)16(20)25-18(3,9-30(17,27)28)14-10(19)5-6-12(23-14)24-15(26)11-7-22-13(29-4)8-21-11/h5-8H,9H2,1-4H3,(H2,20,25)(H,23,24,26)/t18-/m0/s1 PYROVEFAHOYHPD-SFHVURJKSA-N 258981 US9499502, 9cg Beta-secretase 1 Homo sapiens 94.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670144 350083683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451311 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2ccncn2)ccc1F InChI=1S/C17H19FN6O3S/c1-16(2)15(19)24-17(3,8-28(16,26)27)13-10(18)4-5-12(22-13)23-14(25)11-6-7-20-9-21-11/h4-7,9H,8H2,1-3H3,(H2,19,24)(H,22,23,25)/t17-/m0/s1 OSRDEORLLAUSAY-KRWDZBQOSA-N 258982 US9499502, 9ch Beta-secretase 1 Homo sapiens 100.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095363 350083684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451312 COc1ccc(nn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H21FN6O4S/c1-17(2)16(20)23-18(3,9-30(17,27)28)14-10(19)5-7-12(21-14)22-15(26)11-6-8-13(29-4)25-24-11/h5-8H,9H2,1-4H3,(H2,20,23)(H,21,22,26)/t18-/m0/s1 VTKOYJZYLKHAHN-SFHVURJKSA-N 258983 US9499502, 9ci Beta-secretase 1 Homo sapiens 219.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095364 350083685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451313 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H19F3N6O3S/c1-17(2)16(22)27-18(3,8-31(17,29)30)13-9(19)4-5-12(25-13)26-15(28)11-7-23-10(6-24-11)14(20)21/h4-7,14H,8H2,1-3H3,(H2,22,27)(H,25,26,28)/t18-/m0/s1 JFETUAJQOJCLCW-SFHVURJKSA-N 258984 US9499502, 9cj Beta-secretase 1 Homo sapiens 26.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095272 350083686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451314 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2cnc(Br)cn2)ccc1F InChI=1S/C17H18BrFN6O3S/c1-16(2)15(20)25-17(3,8-29(16,27)28)13-9(19)4-5-12(23-13)24-14(26)10-6-22-11(18)7-21-10/h4-7H,8H2,1-3H3,(H2,20,25)(H,23,24,26)/t17-/m0/s1 QBSGZXQRNUYHPP-KRWDZBQOSA-N 258985 US9499502, 9ck Beta-secretase 1 Homo sapiens 21.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095273 350083687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451315 CC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H22F2N4O3S/c1-4-20(3)18(23)26-19(2,11-30(20,28)29)14-9-13(6-7-15(14)22)25-17(27)16-8-5-12(21)10-24-16/h5-10H,4,11H2,1-3H3,(H2,23,26)(H,25,27)/t19-,20-/m0/s1 HHLLIOKPEHPPFR-PMACEKPBSA-N 258986 US9499502, 9cl-a Beta-secretase 1 Homo sapiens 5.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095040 350083688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451316 CC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H22F2N4O3S/c1-4-20(3)18(23)26-19(2,11-30(20,28)29)14-9-13(6-7-15(14)22)25-17(27)16-8-5-12(21)10-24-16/h5-10H,4,11H2,1-3H3,(H2,23,26)(H,25,27)/t19-,20+/m0/s1 HHLLIOKPEHPPFR-VQTJNVASSA-N 258987 US9499502, 9cl-b Beta-secretase 1 Homo sapiens 22.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095038 350083689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451317 CC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C21H25FN4O4S/c1-5-21(3)19(23)26-20(2,12-31(21,28)29)15-10-13(6-8-16(15)22)25-18(27)17-9-7-14(30-4)11-24-17/h6-11H,5,12H2,1-4H3,(H2,23,26)(H,25,27)/t20-,21-/m0/s1 VLFYEOKWTIJOJW-SFTDATJTSA-N 258988 US9499502, 9cm-a Beta-secretase 1 Homo sapiens 5.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095276 350083690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451318 CC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C21H25FN4O4S/c1-5-21(3)19(23)26-20(2,12-31(21,28)29)15-10-13(6-8-16(15)22)25-18(27)17-9-7-14(30-4)11-24-17/h6-11H,5,12H2,1-4H3,(H2,23,26)(H,25,27)/t20-,21+/m0/s1 VLFYEOKWTIJOJW-LEWJYISDSA-N 258989 US9499502, 9cm-b Beta-secretase 1 Homo sapiens 31.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095275 350083691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451319 CC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C20H24FN5O4S/c1-5-20(3)18(22)26-19(2,11-31(20,28)29)13-8-12(6-7-14(13)21)25-17(27)15-9-24-16(30-4)10-23-15/h6-10H,5,11H2,1-4H3,(H2,22,26)(H,25,27)/t19-,20-/m0/s1 LKFHXZDIEUQXTP-PMACEKPBSA-N 258990 US9499502, 9cn-a Beta-secretase 1 Homo sapiens 6.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095277 350083692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451320 CC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C20H24FN5O4S/c1-5-20(3)18(22)26-19(2,11-31(20,28)29)13-8-12(6-7-14(13)21)25-17(27)15-9-24-16(30-4)10-23-15/h6-10H,5,11H2,1-4H3,(H2,22,26)(H,25,27)/t19-,20+/m0/s1 LKFHXZDIEUQXTP-VQTJNVASSA-N 258991 US9499502, 9cn-b Beta-secretase 1 Homo sapiens 28.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095543 350083693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451321 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C25H21F5N4O3S/c1-23(18-11-17(7-8-19(18)27)33-21(35)20-9-6-16(26)12-32-20)13-38(36,37)24(2,22(31)34-23)14-4-3-5-15(10-14)25(28,29)30/h3-12H,13H2,1-2H3,(H2,31,34)(H,33,35)/t23-,24-/m0/s1 UXGVJSLILMOHEE-ZEQRLZLVSA-N 258992 US9499502, 9co-a Beta-secretase 1 Homo sapiens 5.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094892 350083694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451322 COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F InChI=1S/C22H23F4N3O4S/c1-20(16-10-15(7-8-17(16)23)28-18(30)11-33-3)12-34(31,32)21(2,19(27)29-20)13-5-4-6-14(9-13)22(24,25)26/h4-10H,11-12H2,1-3H3,(H2,27,29)(H,28,30)/t20-,21-/m0/s1 OLKBIPXUFNAFTP-SFTDATJTSA-N 258993 US9499502, 9cp-a Beta-secretase 1 Homo sapiens 18 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094890 350083695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451323 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CC2)C(=N)N1 InChI=1S/C21H24FN5O4S/c1-20(11-32(29,30)21(2,12-4-5-12)19(23)27-20)14-8-13(6-7-15(14)22)26-18(28)16-9-25-17(31-3)10-24-16/h6-10,12H,4-5,11H2,1-3H3,(H2,23,27)(H,26,28)/t20-,21-/m0/s1 YJOQTCQWWUCODO-SFTDATJTSA-N 258994 US9499502, 9cq-a Beta-secretase 1 Homo sapiens 13.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562466 350083696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451324 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C2CC2)C(=N)N1 InChI=1S/C21H24FN5O4S/c1-20(11-32(29,30)21(2,12-4-5-12)19(23)27-20)14-8-13(6-7-15(14)22)26-18(28)16-9-25-17(31-3)10-24-16/h6-10,12H,4-5,11H2,1-3H3,(H2,23,27)(H,26,28)/t20-,21+/m0/s1 YJOQTCQWWUCODO-LEWJYISDSA-N 258995 US9499502, 9cq-b Beta-secretase 1 Homo sapiens 96.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094904 350083697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451325 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H28F2N4O4S/c1-23(14-35(32,33)24(2,22(27)30-23)12-15-7-9-34-10-8-15)18-11-17(4-5-19(18)26)29-21(31)20-6-3-16(25)13-28-20/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H2,27,30)(H,29,31)/t23-,24-/m0/s1 PYKXQYRULDMMMH-ZEQRLZLVSA-N 258996 US9499502, 9cr-a Beta-secretase 1 Homo sapiens 2.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094899 350083698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451326 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H28ClFN4O4S/c1-23(14-35(32,33)24(2,22(27)30-23)12-15-7-9-34-10-8-15)18-11-17(4-5-19(18)26)29-21(31)20-6-3-16(25)13-28-20/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H2,27,30)(H,29,31)/t23-,24-/m0/s1 HYZLKSOUFSGYSX-ZEQRLZLVSA-N 258997 US9499502, 9cs-a Beta-secretase 1 Homo sapiens 1.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094896 350083699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451327 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1 InChI=1S/C24H30FN5O5S/c1-23(14-36(32,33)24(2,22(26)30-23)11-15-6-8-35-9-7-15)17-10-16(4-5-18(17)25)29-21(31)19-12-28-20(34-3)13-27-19/h4-5,10,12-13,15H,6-9,11,14H2,1-3H3,(H2,26,30)(H,29,31)/t23-,24-/m0/s1 XSWUKTIPUCIOSI-ZEQRLZLVSA-N 258998 US9499502, 9ct-a Beta-secretase 1 Homo sapiens 3.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094895 350083700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451328 COc1cccc2cc([nH]c12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1 258999 US9499502, 9cu-a Beta-secretase 1 Homo sapiens 46.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094897 350083701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451329 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C23H21F2N5O3S/c1-22(13-34(32,33)23(2,21(26)30-22)19-5-3-4-10-27-19)16-11-15(7-8-17(16)25)29-20(31)18-9-6-14(24)12-28-18/h3-12H,13H2,1-2H3,(H2,26,30)(H,29,31)/t22-,23-/m0/s1 NJTYDCSGUKEPCM-GOTSBHOMSA-N 259000 US9499502, 9cv-a Beta-secretase 1 Homo sapiens 7.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094898 350083702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451330 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C23H21F2N5O3S/c1-22(13-34(32,33)23(2,21(26)30-22)19-5-3-4-10-27-19)16-11-15(7-8-17(16)25)29-20(31)18-9-6-14(24)12-28-18/h3-12H,13H2,1-2H3,(H2,26,30)(H,29,31)/t22-,23+/m0/s1 NJTYDCSGUKEPCM-XZOQPEGZSA-N 259001 US9499502, 9cv-b Beta-secretase 1 Homo sapiens 186.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094902 350083703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451331 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H21ClFN5O3S/c1-22(13-34(32,33)23(2,21(26)30-22)19-5-3-4-10-27-19)16-11-15(7-8-17(16)25)29-20(31)18-9-6-14(24)12-28-18/h3-12H,13H2,1-2H3,(H2,26,30)(H,29,31)/t22-,23-/m0/s1 SSWZFIYACUIXCL-GOTSBHOMSA-N 259002 US9499502, 9cw-a Beta-secretase 1 Homo sapiens 4.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094906 350083704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451332 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H21ClFN5O3S/c1-22(13-34(32,33)23(2,21(26)30-22)19-5-3-4-10-27-19)16-11-15(7-8-17(16)25)29-20(31)18-9-6-14(24)12-28-18/h3-12H,13H2,1-2H3,(H2,26,30)(H,29,31)/t22-,23+/m0/s1 SSWZFIYACUIXCL-XZOQPEGZSA-N 259003 US9499502, 9cw-b Beta-secretase 1 Homo sapiens 72.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094964 350083705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451333 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1 InChI=1S/C24H24FN5O4S/c1-23(14-35(32,33)24(2,22(26)30-23)20-6-4-5-11-27-20)17-12-15(7-9-18(17)25)29-21(31)19-10-8-16(34-3)13-28-19/h4-13H,14H2,1-3H3,(H2,26,30)(H,29,31)/t23-,24-/m0/s1 YIRVRVGMVDIEGI-ZEQRLZLVSA-N 259004 US9499502, 9cx-a Beta-secretase 1 Homo sapiens 7.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094930 350083706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451334 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1 InChI=1S/C24H24FN5O4S/c1-23(14-35(32,33)24(2,22(26)30-23)20-6-4-5-11-27-20)17-12-15(7-9-18(17)25)29-21(31)19-10-8-16(34-3)13-28-19/h4-13H,14H2,1-3H3,(H2,26,30)(H,29,31)/t23-,24+/m0/s1 YIRVRVGMVDIEGI-BJKOFHAPSA-N 259005 US9499502, 9cx-b Beta-secretase 1 Homo sapiens 282.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094924 350083707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451335 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1 InChI=1S/C23H23FN6O4S/c1-22(13-35(32,33)23(2,21(25)30-22)18-6-4-5-9-26-18)15-10-14(7-8-16(15)24)29-20(31)17-11-28-19(34-3)12-27-17/h4-12H,13H2,1-3H3,(H2,25,30)(H,29,31)/t22-,23-/m0/s1 PFXDNXJLQKPFSP-GOTSBHOMSA-N 259006 US9499502, 9cy-a Beta-secretase 1 Homo sapiens 6.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094925 350083708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451336 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1 InChI=1S/C23H23FN6O4S/c1-22(13-35(32,33)23(2,21(25)30-22)18-6-4-5-9-26-18)15-10-14(7-8-16(15)24)29-20(31)17-11-28-19(34-3)12-27-17/h4-12H,13H2,1-3H3,(H2,25,30)(H,29,31)/t22-,23+/m0/s1 PFXDNXJLQKPFSP-XZOQPEGZSA-N 259007 US9499502, 9cy-b Beta-secretase 1 Homo sapiens 208.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094908 350083709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451337 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C24H21F4N5O3S/c1-22(13-37(35,36)23(2,21(29)33-22)19-5-3-4-10-30-19)16-11-15(7-8-17(16)25)32-20(34)18-9-6-14(12-31-18)24(26,27)28/h3-12H,13H2,1-2H3,(H2,29,33)(H,32,34)/t22-,23-/m0/s1 FTPDLNWRRSBALK-GOTSBHOMSA-N 259008 US9499502, 9cz-a Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094962 350083710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451338 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C24H21F4N5O3S/c1-22(13-37(35,36)23(2,21(29)33-22)19-5-3-4-10-30-19)16-11-15(7-8-17(16)25)32-20(34)18-9-6-14(12-31-18)24(26,27)28/h3-12H,13H2,1-2H3,(H2,29,33)(H,32,34)/t22-,23+/m0/s1 FTPDLNWRRSBALK-XZOQPEGZSA-N 259009 US9499502, 9cz-b Beta-secretase 1 Homo sapiens 180.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094921 350083711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451339 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H21F3N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)14-4-3-5-15(25)10-14)18-11-17(7-8-19(18)27)30-21(32)20-9-6-16(26)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24-/m0/s1 PRMNIEKLGGVFHS-ZEQRLZLVSA-N 259010 US9499502, 9da-a Beta-secretase 1 Homo sapiens 3.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094913 350083712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451340 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H21F3N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)14-4-3-5-15(25)10-14)18-11-17(7-8-19(18)27)30-21(32)20-9-6-16(26)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24+/m0/s1 PRMNIEKLGGVFHS-BJKOFHAPSA-N 259011 US9499502, 9da-b Beta-secretase 1 Homo sapiens 198 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094915 350083713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451341 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H21ClF2N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)14-4-3-5-16(26)10-14)18-11-17(7-8-19(18)27)30-21(32)20-9-6-15(25)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24-/m0/s1 KEQJGRSKJJVNOG-ZEQRLZLVSA-N 259012 US9499502, 9db-a Beta-secretase 1 Homo sapiens 1.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094918 350083714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451342 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H21ClF2N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)14-4-3-5-16(26)10-14)18-11-17(7-8-19(18)27)30-21(32)20-9-6-15(25)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24+/m0/s1 KEQJGRSKJJVNOG-BJKOFHAPSA-N 259013 US9499502, 9db-b Beta-secretase 1 Homo sapiens 77.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094914 350083715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451343 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1 InChI=1S/C25H24F2N4O4S/c1-24(14-36(33,34)25(2,23(28)31-24)15-5-4-6-16(26)11-15)19-12-17(7-9-20(19)27)30-22(32)21-10-8-18(35-3)13-29-21/h4-13H,14H2,1-3H3,(H2,28,31)(H,30,32)/t24-,25-/m0/s1 LQELPBBEOLZTLK-DQEYMECFSA-N 259014 US9499502, 9dc-a Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094942 350083716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451344 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1 InChI=1S/C25H24F2N4O4S/c1-24(14-36(33,34)25(2,23(28)31-24)15-5-4-6-16(26)11-15)19-12-17(7-9-20(19)27)30-22(32)21-10-8-18(35-3)13-29-21/h4-13H,14H2,1-3H3,(H2,28,31)(H,30,32)/t24-,25+/m0/s1 LQELPBBEOLZTLK-LOSJGSFVSA-N 259015 US9499502, 9dc-b Beta-secretase 1 Homo sapiens 216.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094961 350083717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451345 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1 InChI=1S/C24H23F2N5O4S/c1-23(13-36(33,34)24(2,22(27)31-23)14-5-4-6-15(25)9-14)17-10-16(7-8-18(17)26)30-21(32)19-11-29-20(35-3)12-28-19/h4-12H,13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24-/m0/s1 TWYSRUPDRPYBJC-ZEQRLZLVSA-N 259016 US9499502, 9dd-a Beta-secretase 1 Homo sapiens 3.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094943 350083718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451346 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1 InChI=1S/C24H23F2N5O4S/c1-23(13-36(33,34)24(2,22(27)31-23)14-5-4-6-15(25)9-14)17-10-16(7-8-18(17)26)30-21(32)19-11-29-20(35-3)12-28-19/h4-12H,13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24+/m0/s1 TWYSRUPDRPYBJC-BJKOFHAPSA-N 259017 US9499502, 9dd-b Beta-secretase 1 Homo sapiens 228.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094970 350083719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451347 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C25H21F5N4O3S/c1-23(13-38(36,37)24(2,22(31)34-23)14-4-3-5-16(26)10-14)18-11-17(7-8-19(18)27)33-21(35)20-9-6-15(12-32-20)25(28,29)30/h3-12H,13H2,1-2H3,(H2,31,34)(H,33,35)/t23-,24-/m0/s1 TUMLJMNTYBWVIP-ZEQRLZLVSA-N 259018 US9499502, 9de-a Beta-secretase 1 Homo sapiens 3.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094967 350083720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451348 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C25H21F5N4O3S/c1-23(13-38(36,37)24(2,22(31)34-23)14-4-3-5-16(26)10-14)18-11-17(7-8-19(18)27)33-21(35)20-9-6-15(12-32-20)25(28,29)30/h3-12H,13H2,1-2H3,(H2,31,34)(H,33,35)/t23-,24+/m0/s1 TUMLJMNTYBWVIP-BJKOFHAPSA-N 259019 US9499502, 9de-b Beta-secretase 1 Homo sapiens 175.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094969 350083721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451349 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H21F3N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)14-3-5-15(25)6-4-14)18-11-17(8-9-19(18)27)30-21(32)20-10-7-16(26)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24-/m0/s1 VVJCOAYBPYZDAC-ZEQRLZLVSA-N 259020 US9499502, 9df-a Beta-secretase 1 Homo sapiens 2.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094941 350083722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451350 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H21F3N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)14-3-5-15(25)6-4-14)18-11-17(8-9-19(18)27)30-21(32)20-10-7-16(26)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24+/m0/s1 VVJCOAYBPYZDAC-BJKOFHAPSA-N 259021 US9499502, 9df-b Beta-secretase 1 Homo sapiens 164.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095307 350083723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451351 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccc(F)cc1 InChI=1S/C24H23F2N5O4S/c1-23(13-36(33,34)24(2,22(27)31-23)14-4-6-15(25)7-5-14)17-10-16(8-9-18(17)26)30-21(32)19-11-29-20(35-3)12-28-19/h4-12H,13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24-/m0/s1 QJTNVDROEBMADB-ZEQRLZLVSA-N 259022 US9499502, 9dg-a Beta-secretase 1 Homo sapiens 4.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562467 350083724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451352 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1 InChI=1S/C24H23F2N5O4S/c1-23(13-36(33,34)24(2,22(27)31-23)14-4-6-15(25)7-5-14)17-10-16(8-9-18(17)26)30-21(32)19-11-29-20(35-3)12-28-19/h4-12H,13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24+/m0/s1 QJTNVDROEBMADB-BJKOFHAPSA-N 259023 US9499502, 9dg-b Beta-secretase 1 Homo sapiens 186.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095308 350083725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451353 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)10-13-3-4-13)16-9-15(6-7-17(16)24)27-19(29)18-8-5-14(23)11-26-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m0/s1 XWMCZTBOAXIOBT-VXKWHMMOSA-N 259024 US9499502, 9dh-a Beta-secretase 1 Homo sapiens 7.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095311 350083726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451354 C[C@]1(CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)10-13-3-4-13)16-9-15(6-7-17(16)24)27-19(29)18-8-5-14(23)11-26-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22+/m0/s1 XWMCZTBOAXIOBT-FCHUYYIVSA-N 259025 US9499502, 9dh-b Beta-secretase 1 Homo sapiens 47.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138888 350083727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451355 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H24ClFN4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)10-13-3-4-13)16-9-15(6-7-17(16)24)27-19(29)18-8-5-14(23)11-26-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m0/s1 JJJXCCVDKHDQSS-VXKWHMMOSA-N 259026 US9499502, 9di-a Beta-secretase 1 Homo sapiens 4.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095315 350083728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451356 C[C@]1(CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H24ClFN4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)10-13-3-4-13)16-9-15(6-7-17(16)24)27-19(29)18-8-5-14(23)11-26-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22+/m0/s1 JJJXCCVDKHDQSS-FCHUYYIVSA-N 259027 US9499502, 9di-b Beta-secretase 1 Homo sapiens 15.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138917 350083729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451357 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1 InChI=1S/C23H27FN4O4S/c1-22(13-33(30,31)23(2,21(25)28-22)11-14-4-5-14)17-10-15(6-8-18(17)24)27-20(29)19-9-7-16(32-3)12-26-19/h6-10,12,14H,4-5,11,13H2,1-3H3,(H2,25,28)(H,27,29)/t22-,23-/m0/s1 VQKHUABFISOOBU-GOTSBHOMSA-N 259028 US9499502, 9dj-a Beta-secretase 1 Homo sapiens 4.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095313 350083730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451358 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1 InChI=1S/C23H27FN4O4S/c1-22(13-33(30,31)23(2,21(25)28-22)11-14-4-5-14)17-10-15(6-8-18(17)24)27-20(29)19-9-7-16(32-3)12-26-19/h6-10,12,14H,4-5,11,13H2,1-3H3,(H2,25,28)(H,27,29)/t22-,23+/m0/s1 VQKHUABFISOOBU-XZOQPEGZSA-N 259029 US9499502, 9dj-b Beta-secretase 1 Homo sapiens 26.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138887 350083731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451359 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1 InChI=1S/C22H26FN5O4S/c1-21(12-33(30,31)22(2,20(24)28-21)9-13-4-5-13)15-8-14(6-7-16(15)23)27-19(29)17-10-26-18(32-3)11-25-17/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H2,24,28)(H,27,29)/t21-,22-/m0/s1 JLERBPKGLVBCHL-VXKWHMMOSA-N 259030 US9499502, 9dk-a Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095321 350083732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451360 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1 InChI=1S/C22H26FN5O4S/c1-21(12-33(30,31)22(2,20(24)28-21)9-13-4-5-13)15-8-14(6-7-16(15)23)27-19(29)17-10-26-18(32-3)11-25-17/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H2,24,28)(H,27,29)/t21-,22+/m0/s1 JLERBPKGLVBCHL-FCHUYYIVSA-N 259031 US9499502, 9dk-b Beta-secretase 1 Homo sapiens 42.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138964 350083733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451361 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C23H24F4N4O3S/c1-21(12-35(33,34)22(2,20(28)31-21)10-13-3-4-13)16-9-15(6-7-17(16)24)30-19(32)18-8-5-14(11-29-18)23(25,26)27/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,28,31)(H,30,32)/t21-,22-/m0/s1 YOULZVFEEDUUAK-VXKWHMMOSA-N 259032 US9499502, 9dl-a Beta-secretase 1 Homo sapiens 4.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095324 350083734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451362 C[C@]1(CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C23H24F4N4O3S/c1-21(12-35(33,34)22(2,20(28)31-21)10-13-3-4-13)16-9-15(6-7-17(16)24)30-19(32)18-8-5-14(11-29-18)23(25,26)27/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,28,31)(H,30,32)/t21-,22+/m0/s1 YOULZVFEEDUUAK-FCHUYYIVSA-N 259033 US9499502, 9dl-b Beta-secretase 1 Homo sapiens 33.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095369 350083735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451363 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC=C)C(=N)N1 InChI=1S/C21H24FN5O4S/c1-5-8-21(3)19(23)27-20(2,12-32(21,29)30)14-9-13(6-7-15(14)22)26-18(28)16-10-25-17(31-4)11-24-16/h5-7,9-11H,1,8,12H2,2-4H3,(H2,23,27)(H,26,28)/t20-,21-/m0/s1 ZUJKHLJVNCJGJC-SFTDATJTSA-N 259034 US9499502, 9dm-a Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095042 350083736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451364 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC=C)C(=N)N1 InChI=1S/C21H24FN5O4S/c1-5-8-21(3)19(23)27-20(2,12-32(21,29)30)14-9-13(6-7-15(14)22)26-18(28)16-10-25-17(31-4)11-24-16/h5-7,9-11H,1,8,12H2,2-4H3,(H2,23,27)(H,26,28)/t20-,21+/m0/s1 ZUJKHLJVNCJGJC-LEWJYISDSA-N 259035 US9499502, 9dm-b Beta-secretase 1 Homo sapiens 33.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138889 350083737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451365 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H21F3N4O3S/c1-23(13-35(33,34)24(2,22(28)31-23)16-5-3-4-6-18(16)26)17-11-15(8-9-19(17)27)30-21(32)20-10-7-14(25)12-29-20/h3-12H,13H2,1-2H3,(H2,28,31)(H,30,32)/t23-,24-/m0/s1 LAGKJKVPNPKJGZ-ZEQRLZLVSA-N 259036 US9499502, 9dn-a Beta-secretase 1 Homo sapiens 21.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095043 350083738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451366 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1F InChI=1S/C25H24F2N4O4S/c1-24(14-36(33,34)25(2,23(28)31-24)17-6-4-5-7-19(17)26)18-12-15(8-10-20(18)27)30-22(32)21-11-9-16(35-3)13-29-21/h4-13H,14H2,1-3H3,(H2,28,31)(H,30,32)/t24-,25-/m0/s1 DBRZLTWINADIHS-DQEYMECFSA-N 259037 US9499502, 9do-a Beta-secretase 1 Homo sapiens 18.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095050 350083739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451367 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccc1F InChI=1S/C25H24F2N4O4S/c1-24(14-36(33,34)25(2,23(28)31-24)17-6-4-5-7-19(17)26)18-12-15(8-10-20(18)27)30-22(32)21-11-9-16(35-3)13-29-21/h4-13H,14H2,1-3H3,(H2,28,31)(H,30,32)/t24-,25+/m0/s1 DBRZLTWINADIHS-LOSJGSFVSA-N 259038 US9499502, 9do-b Beta-secretase 1 Homo sapiens 20.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953974 350083740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451368 C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H19F5N4O3S/c1-18(10-33(31,32)19(2,17(26)29-18)9-20(23,24)25)13-7-12(4-5-14(13)22)28-16(30)15-6-3-11(21)8-27-15/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m0/s1 MYEBJZKTHZULPN-OALUTQOASA-N 259039 US9499502, 9dp-a Beta-secretase 1 Homo sapiens 6.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095047 350083741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451369 C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H19F5N4O3S/c1-18(10-33(31,32)19(2,17(26)29-18)9-20(23,24)25)13-7-12(4-5-14(13)22)28-16(30)15-6-3-11(21)8-27-15/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 MYEBJZKTHZULPN-RBUKOAKNSA-N 259040 US9499502, 9dp-b Beta-secretase 1 Homo sapiens 74.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095044 350083742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451370 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1 InChI=1S/C21H22F4N4O4S/c1-19(11-34(31,32)20(2,18(26)29-19)10-21(23,24)25)14-8-12(4-6-15(14)22)28-17(30)16-7-5-13(33-3)9-27-16/h4-9H,10-11H2,1-3H3,(H2,26,29)(H,28,30)/t19-,20-/m0/s1 STIIUEJIVDAURY-PMACEKPBSA-N 259041 US9499502, 9dq-a Beta-secretase 1 Homo sapiens 8.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095049 350083743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451371 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1 InChI=1S/C21H22F4N4O4S/c1-19(11-34(31,32)20(2,18(26)29-19)10-21(23,24)25)14-8-12(4-6-15(14)22)28-17(30)16-7-5-13(33-3)9-27-16/h4-9H,10-11H2,1-3H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1 STIIUEJIVDAURY-VQTJNVASSA-N 259042 US9499502, 9dq-b Beta-secretase 1 Homo sapiens 54.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095045 350083744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451372 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1 InChI=1S/C20H21F4N5O4S/c1-18(10-34(31,32)19(2,17(25)29-18)9-20(22,23)24)12-6-11(4-5-13(12)21)28-16(30)14-7-27-15(33-3)8-26-14/h4-8H,9-10H2,1-3H3,(H2,25,29)(H,28,30)/t18-,19-/m0/s1 AAWWARFYZYVELF-OALUTQOASA-N 259043 US9499502, 9dr-a Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095048 350083745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451373 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1 InChI=1S/C20H21F4N5O4S/c1-18(10-34(31,32)19(2,17(25)29-18)9-20(22,23)24)12-6-11(4-5-13(12)21)28-16(30)14-7-27-15(33-3)8-26-14/h4-8H,9-10H2,1-3H3,(H2,25,29)(H,28,30)/t18-,19+/m0/s1 AAWWARFYZYVELF-RBUKOAKNSA-N 259044 US9499502, 9dr-b Beta-secretase 1 Homo sapiens 136.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095046 350083746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451374 C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C23H26F2N4O4S/c1-22(13-34(31,32)23(2,21(26)29-22)14-7-9-33-10-8-14)17-11-16(4-5-18(17)25)28-20(30)19-6-3-15(24)12-27-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,26,29)(H,28,30)/t22-,23-/m0/s1 GTUNULWCWIOILM-GOTSBHOMSA-N 259045 US9499502, 9ds-a Beta-secretase 1 Homo sapiens 3.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095052 350083747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451375 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1 InChI=1S/C24H29FN4O5S/c1-23(14-35(31,32)24(2,22(26)29-23)15-8-10-34-11-9-15)18-12-16(4-6-19(18)25)28-21(30)20-7-5-17(33-3)13-27-20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,26,29)(H,28,30)/t23-,24-/m0/s1 HYVHUXJHJXIWRQ-ZEQRLZLVSA-N 259046 US9499502, 9dt-a Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095061 350083748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451376 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1 InChI=1S/C23H28FN5O5S/c1-22(13-35(31,32)23(2,21(25)29-22)14-6-8-34-9-7-14)16-10-15(4-5-17(16)24)28-20(30)18-11-27-19(33-3)12-26-18/h4-5,10-12,14H,6-9,13H2,1-3H3,(H2,25,29)(H,28,30)/t22-,23-/m0/s1 JYEJLFRHSIRTMY-GOTSBHOMSA-N 259047 US9499502, 9du-a Beta-secretase 1 Homo sapiens 3.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095055 350083749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451377 C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)13-4-3-5-13)16-10-15(7-8-17(16)24)27-19(29)18-9-6-14(23)11-26-18/h6-11,13H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m0/s1 UOWARJUDEUSHQR-VXKWHMMOSA-N 259048 US9499502, 9dv-a Beta-secretase 1 Homo sapiens 7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095062 350083750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451378 C[C@]1(CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)13-4-3-5-13)16-10-15(7-8-17(16)24)27-19(29)18-9-6-14(23)11-26-18/h6-11,13H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22+/m0/s1 UOWARJUDEUSHQR-FCHUYYIVSA-N 259049 US9499502, 9dv-b Beta-secretase 1 Homo sapiens 303.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095056 350083751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451379 C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H24ClFN4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)13-4-3-5-13)16-10-15(7-8-17(16)24)27-19(29)18-9-6-14(23)11-26-18/h6-11,13H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m0/s1 VMLHVAKZZJPKPK-VXKWHMMOSA-N 259050 US9499502, 9dw-a Beta-secretase 1 Homo sapiens 2.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095058 350083752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451380 C[C@]1(CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H24ClFN4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)13-4-3-5-13)16-10-15(7-8-17(16)24)27-19(29)18-9-6-14(23)11-26-18/h6-11,13H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22+/m0/s1 VMLHVAKZZJPKPK-FCHUYYIVSA-N 259051 US9499502, 9dw-b Beta-secretase 1 Homo sapiens 66.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095057 350083753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451381 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1 InChI=1S/C23H27FN4O4S/c1-22(13-33(30,31)23(2,21(25)28-22)14-5-4-6-14)17-11-15(7-9-18(17)24)27-20(29)19-10-8-16(32-3)12-26-19/h7-12,14H,4-6,13H2,1-3H3,(H2,25,28)(H,27,29)/t22-,23-/m0/s1 BXZFFECLBOOHGF-GOTSBHOMSA-N 259052 US9499502, 9dx-a Beta-secretase 1 Homo sapiens 6.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095063 350083754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451382 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1 InChI=1S/C23H27FN4O4S/c1-22(13-33(30,31)23(2,21(25)28-22)14-5-4-6-14)17-11-15(7-9-18(17)24)27-20(29)19-10-8-16(32-3)12-26-19/h7-12,14H,4-6,13H2,1-3H3,(H2,25,28)(H,27,29)/t22-,23+/m0/s1 BXZFFECLBOOHGF-XZOQPEGZSA-N 259053 US9499502, 9dx-b Beta-secretase 1 Homo sapiens 307.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095053 350083755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451383 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1 InChI=1S/C22H26FN5O4S/c1-21(12-33(30,31)22(2,20(24)28-21)13-5-4-6-13)15-9-14(7-8-16(15)23)27-19(29)17-10-26-18(32-3)11-25-17/h7-11,13H,4-6,12H2,1-3H3,(H2,24,28)(H,27,29)/t21-,22-/m0/s1 YZOGZKNAXGTHLN-VXKWHMMOSA-N 259054 US9499502, 9dy-a Beta-secretase 1 Homo sapiens 7.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095060 350083756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451384 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1 InChI=1S/C22H26FN5O4S/c1-21(12-33(30,31)22(2,20(24)28-21)13-5-4-6-13)15-9-14(7-8-16(15)23)27-19(29)17-10-26-18(32-3)11-25-17/h7-11,13H,4-6,12H2,1-3H3,(H2,24,28)(H,27,29)/t21-,22+/m0/s1 YZOGZKNAXGTHLN-FCHUYYIVSA-N 259055 US9499502, 9dy-b Beta-secretase 1 Homo sapiens 499.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095054 350083757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451385 C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C23H24F4N4O3S/c1-21(12-35(33,34)22(2,20(28)31-21)13-4-3-5-13)16-10-15(7-8-17(16)24)30-19(32)18-9-6-14(11-29-18)23(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H2,28,31)(H,30,32)/t21-,22-/m0/s1 XLKKPKIXUHYZCJ-VXKWHMMOSA-N 259056 US9499502, 9dz-a Beta-secretase 1 Homo sapiens 3.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095077 350083758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451386 C[C@]1(CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C23H24F4N4O3S/c1-21(12-35(33,34)22(2,20(28)31-21)13-4-3-5-13)16-10-15(7-8-17(16)24)30-19(32)18-9-6-14(11-29-18)23(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H2,28,31)(H,30,32)/t21-,22+/m0/s1 XLKKPKIXUHYZCJ-FCHUYYIVSA-N 259057 US9499502, 9dz-b Beta-secretase 1 Homo sapiens 122.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095079 350083759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451387 CC(C)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H24F2N4O3S/c1-12(2)21(4)19(24)27-20(3,11-31(21,29)30)15-9-14(6-7-16(15)23)26-18(28)17-8-5-13(22)10-25-17/h5-10,12H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21-/m0/s1 KIIPFTKRIFPZBX-SFTDATJTSA-N 259058 US9499502, 9ea-a Beta-secretase 1 Homo sapiens 31.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095085 350083760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451388 CC(C)[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H24F2N4O3S/c1-12(2)21(4)19(24)27-20(3,11-31(21,29)30)15-9-14(6-7-16(15)23)26-18(28)17-8-5-13(22)10-25-17/h5-10,12H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21+/m0/s1 KIIPFTKRIFPZBX-LEWJYISDSA-N 259059 US9499502, 9ea-b Beta-secretase 1 Homo sapiens 223.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095087 350083761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451389 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(C)C)C(=N)N1 InChI=1S/C22H27FN4O4S/c1-13(2)22(4)20(24)27-21(3,12-32(22,29)30)16-10-14(6-8-17(16)23)26-19(28)18-9-7-15(31-5)11-25-18/h6-11,13H,12H2,1-5H3,(H2,24,27)(H,26,28)/t21-,22-/m0/s1 PCPHTKPBCAFRPB-VXKWHMMOSA-N 259060 US9499502, 9eb-a Beta-secretase 1 Homo sapiens 16.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095071 350083762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451390 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(C)C)C(=N)N1 InChI=1S/C22H27FN4O4S/c1-13(2)22(4)20(24)27-21(3,12-32(22,29)30)16-10-14(6-8-17(16)23)26-19(28)18-9-7-15(31-5)11-25-18/h6-11,13H,12H2,1-5H3,(H2,24,27)(H,26,28)/t21-,22+/m0/s1 PCPHTKPBCAFRPB-FCHUYYIVSA-N 259061 US9499502, 9eb-b Beta-secretase 1 Homo sapiens 257.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095073 350083763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451391 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(C)C)C(=N)N1 InChI=1S/C21H26FN5O4S/c1-12(2)21(4)19(23)27-20(3,11-32(21,29)30)14-8-13(6-7-15(14)22)26-18(28)16-9-25-17(31-5)10-24-16/h6-10,12H,11H2,1-5H3,(H2,23,27)(H,26,28)/t20-,21-/m0/s1 LXQOIJMPBHGPMD-SFTDATJTSA-N 259062 US9499502, 9ec-a Beta-secretase 1 Homo sapiens 14.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095080 350083764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451392 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(C)C)C(=N)N1 InChI=1S/C21H26FN5O4S/c1-12(2)21(4)19(23)27-20(3,11-32(21,29)30)14-8-13(6-7-15(14)22)26-18(28)16-9-25-17(31-5)10-24-16/h6-10,12H,11H2,1-5H3,(H2,23,27)(H,26,28)/t20-,21+/m0/s1 LXQOIJMPBHGPMD-LEWJYISDSA-N 259063 US9499502, 9ec-b Beta-secretase 1 Homo sapiens 522.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095081 350083765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451393 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H20F5N5O3S/c1-22(16-10-15(4-5-17(16)26)33-20(35)18-6-3-14(25)11-32-18)12-38(36,37)23(2,21(30)34-22)19-9-13(7-8-31-19)24(27,28)29/h3-11H,12H2,1-2H3,(H2,30,34)(H,33,35)/t22-,23-/m0/s1 PLCDXUBBYUCKTP-GOTSBHOMSA-N 259064 US9499502, 9ed-a::US9499502, 9ed-b Beta-secretase 1 Homo sapiens 1.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094944 350083766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451394 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H20F5N5O3S/c1-22(16-10-15(4-5-17(16)26)33-20(35)18-6-3-14(25)11-32-18)12-38(36,37)23(2,21(30)34-22)19-9-13(7-8-31-19)24(27,28)29/h3-11H,12H2,1-2H3,(H2,30,34)(H,33,35)/t22-,23-/m0/s1 PLCDXUBBYUCKTP-GOTSBHOMSA-N 259064 US9499502, 9ed-a::US9499502, 9ed-b Beta-secretase 1 Homo sapiens 15.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094944 350083766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451395 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F InChI=1S/C24H22F4N6O4S/c1-22(15-9-14(4-5-16(15)25)33-20(35)17-10-32-19(38-3)11-31-17)12-39(36,37)23(2,21(29)34-22)18-8-13(6-7-30-18)24(26,27)28/h4-11H,12H2,1-3H3,(H2,29,34)(H,33,35)/t22-,23+/m0/s1 HSZFAIAMGODYEK-XZOQPEGZSA-N 259066 US9499502, 9ee-a Beta-secretase 1 Homo sapiens 1.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095082 350083767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451396 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F InChI=1S/C24H22F4N6O4S/c1-22(15-9-14(4-5-16(15)25)33-20(35)17-10-32-19(38-3)11-31-17)12-39(36,37)23(2,21(29)34-22)18-8-13(6-7-30-18)24(26,27)28/h4-11H,12H2,1-3H3,(H2,29,34)(H,33,35)/t22-,23-/m0/s1 HSZFAIAMGODYEK-GOTSBHOMSA-N 259067 US9499502, 9ee-b Beta-secretase 1 Homo sapiens 21 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953975 350083768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451397 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=N)c2ncc(F)cc2F)ccc1F InChI=1S/C19H20F3N5O2S/c1-18(2)17(24)27-19(3,9-30(18,28)29)12-7-11(4-5-13(12)21)26-16(23)15-14(22)6-10(20)8-25-15/h4-8H,9H2,1-3H3,(H2,23,26)(H2,24,27)/t19-/m0/s1 XANOCHKJRHQOAR-IBGZPJMESA-N 259068 US9499502, 9ef Beta-secretase 1 Homo sapiens 989 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095041 350083769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451398 COc1cccc2cc([nH]c12)-c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 259070 US9499502, 11 Beta-secretase 1 Homo sapiens 305 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137853 350083771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451399 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(ccc1F)-c1cccc(c1)C#N InChI=1S/C19H19FN4O2S/c1-18(2)17(22)24-19(3,11-27(18,25)26)16-14(20)7-8-15(23-16)13-6-4-5-12(9-13)10-21/h4-9H,11H2,1-3H3,(H2,22,24)/t19-/m0/s1 PWZMGNHIQDPVPR-IBGZPJMESA-N 259072 US9499502, 16b Beta-secretase 1 Homo sapiens 4957 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095371 350083773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451400 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(ccc1F)-c1ccc(s1)C#N InChI=1S/C17H17FN4O2S2/c1-16(2)15(20)22-17(3,9-26(16,23)24)14-11(18)5-6-12(21-14)13-7-4-10(8-19)25-13/h4-7H,9H2,1-3H3,(H2,20,22)/t17-/m0/s1 ACESVTTZYFFOEX-KRWDZBQOSA-N 259073 US9499502, 16c Beta-secretase 1 Homo sapiens 3587 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259073&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563593 350083774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451401 COc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 InChI=1S/C18H21ClN4O4S2/c1-17(2)16(20)23-18(3,9-29(17,25)26)14-10(19)8-11(28-14)15(24)22-12-6-5-7-13(21-12)27-4/h5-8H,9H2,1-4H3,(H2,20,23)(H,21,22,24)/t18-/m0/s1 GRTKPGBKWHBEMJ-SFHVURJKSA-N 259074 US9499502, 18 Beta-secretase 1 Homo sapiens 111.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259074&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563595 350083775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451402 CCc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 InChI=1S/C19H23ClN4O3S2/c1-5-11-7-6-8-14(22-11)23-16(25)13-9-12(20)15(28-13)19(4)10-29(26,27)18(2,3)17(21)24-19/h6-9H,5,10H2,1-4H3,(H2,21,24)(H,22,23,25)/t19-/m0/s1 JOHRAMDBTOOHOP-IBGZPJMESA-N 259075 US9499502, 19 Beta-secretase 1 Homo sapiens 134.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259075&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095415 350083776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451403 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(Cl)n1 InChI=1S/C17H18Cl2N4O3S2/c1-16(2)15(20)23-17(3,8-28(16,25)26)13-9(18)7-10(27-13)14(24)22-12-6-4-5-11(19)21-12/h4-7H,8H2,1-3H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1 QPSKLVOJEVEGJX-KRWDZBQOSA-N 259076 US9499502, 20 Beta-secretase 1 Homo sapiens 26.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259076&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563596 350083777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451404 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(F)n1 InChI=1S/C17H18ClFN4O3S2/c1-16(2)15(20)23-17(3,8-28(16,25)26)13-9(18)7-10(27-13)14(24)22-12-6-4-5-11(19)21-12/h4-7H,8H2,1-3H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1 OIWOEZTZAQBFIX-KRWDZBQOSA-N 259077 US9499502, 21 Beta-secretase 1 Homo sapiens 265.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259077&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095417 350083778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451405 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(n1)C(F)(F)F InChI=1S/C18H18ClF3N4O3S2/c1-16(2)15(23)26-17(3,8-31(16,28)29)13-9(19)7-10(30-13)14(27)25-12-6-4-5-11(24-12)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,26)(H,24,25,27)/t17-/m0/s1 WQCJARJMGDTQLH-KRWDZBQOSA-N 259078 US9499502, 22 Beta-secretase 1 Homo sapiens 175 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259078&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563597 350083779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451406 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ncccc1Cl InChI=1S/C18H20Cl2N4O3S2/c1-17(2)16(21)24-18(3,9-29(17,26)27)14-11(20)7-13(28-14)15(25)23-8-12-10(19)5-4-6-22-12/h4-7H,8-9H2,1-3H3,(H2,21,24)(H,23,25)/t18-/m0/s1 GABOPLSRGWDCAD-SFHVURJKSA-N 259079 US9499502, 22a Beta-secretase 1 Homo sapiens 1404 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259079&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094905 350083780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451407 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ncccn1 InChI=1S/C17H20ClN5O3S2/c1-16(2)15(19)23-17(3,9-28(16,25)26)13-10(18)7-11(27-13)14(24)22-8-12-20-5-4-6-21-12/h4-7H,8-9H2,1-3H3,(H2,19,23)(H,22,24)/t17-/m0/s1 PNQPYNBEEGBKET-KRWDZBQOSA-N 259080 US9499502, 22b Beta-secretase 1 Homo sapiens 3515 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259080&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66563598 350083781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451408 Cc1cccc(CNC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 InChI=1S/C19H23ClN4O3S2/c1-11-6-5-7-12(23-11)9-22-16(25)14-8-13(20)15(28-14)19(4)10-29(26,27)18(2,3)17(21)24-19/h5-8H,9-10H2,1-4H3,(H2,21,24)(H,22,25)/t19-/m0/s1 QXHVUTQJFFJIIT-IBGZPJMESA-N 259081 US9499502, 22c Beta-secretase 1 Homo sapiens 7883 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259081&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094927 350083782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451409 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc2cnccc2c1 InChI=1S/C22H23ClN4O3S2/c1-21(2)20(24)27-22(3,12-32(21,29)30)18-16(23)9-17(31-18)19(28)26-10-13-4-5-15-11-25-7-6-14(15)8-13/h4-9,11H,10,12H2,1-3H3,(H2,24,27)(H,26,28)/t22-/m0/s1 MJEZAOBXCMNILG-QFIPXVFZSA-N 259082 US9499502, 22d Beta-secretase 1 Homo sapiens 4634 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562040 350083783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451410 Cc1ccc(CNC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)nn1 InChI=1S/C18H22ClN5O3S2/c1-10-5-6-11(24-23-10)8-21-15(25)13-7-12(19)14(28-13)18(4)9-29(26,27)17(2,3)16(20)22-18/h5-7H,8-9H2,1-4H3,(H2,20,22)(H,21,25)/t18-/m0/s1 KJSLFEWFUNEBFL-SFHVURJKSA-N 259083 US9499502, 22e Beta-secretase 1 Homo sapiens 758.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259083&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094900 350083784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451411 CC1=NOC(CNC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)C1 InChI=1S/C17H23ClN4O4S2/c1-9-5-10(26-22-9)7-20-14(23)12-6-11(18)13(27-12)17(4)8-28(24,25)16(2,3)15(19)21-17/h6,10H,5,7-8H2,1-4H3,(H2,19,21)(H,20,23)/t10?,17-/m0/s1 VMSRYVFUGKAOSD-LKDXBUKQSA-N 259084 US9499502, 22f Beta-secretase 1 Homo sapiens 615.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259084&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094922 350083785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451412 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(c1)-c1ccon1 InChI=1S/C22H23ClN4O4S2/c1-21(2)20(24)26-22(3,12-33(21,29)30)18-15(23)10-17(32-18)19(28)25-11-13-5-4-6-14(9-13)16-7-8-31-27-16/h4-10H,11-12H2,1-3H3,(H2,24,26)(H,25,28)/t22-/m0/s1 AIFGVTQYFBWVGF-QFIPXVFZSA-N 259085 US9499502, 22g Beta-secretase 1 Homo sapiens 735.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259085&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094894 350083786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451413 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccccc1Cl InChI=1S/C19H21Cl2N3O3S2/c1-18(2)17(22)24-19(3,10-29(18,26)27)15-13(21)8-14(28-15)16(25)23-9-11-6-4-5-7-12(11)20/h4-8H,9-10H2,1-3H3,(H2,22,24)(H,23,25)/t19-/m0/s1 XADDHUGANNWFSE-IBGZPJMESA-N 259086 US9499502, 22h Beta-secretase 1 Homo sapiens 1620 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259086&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094911 350083787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451414 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(F)c1 InChI=1S/C19H21ClFN3O3S2/c1-18(2)17(22)24-19(3,10-29(18,26)27)15-13(20)8-14(28-15)16(25)23-9-11-5-4-6-12(21)7-11/h4-8H,9-10H2,1-3H3,(H2,22,24)(H,23,25)/t19-/m0/s1 IZWNHKRSHBURGX-IBGZPJMESA-N 259087 US9499502, 22i Beta-secretase 1 Homo sapiens 1161 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094923 350083788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451415 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(F)cc1 InChI=1S/C19H21ClFN3O3S2/c1-18(2)17(22)24-19(3,10-29(18,26)27)15-13(20)8-14(28-15)16(25)23-9-11-4-6-12(21)7-5-11/h4-8H,9-10H2,1-3H3,(H2,22,24)(H,23,25)/t19-/m0/s1 IAGRVZWLBGRJNT-IBGZPJMESA-N 259088 US9499502, 22j Beta-secretase 1 Homo sapiens 753 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094903 350083789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451416 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C19H21Cl2N3O3S2/c1-18(2)17(22)24-19(3,10-29(18,26)27)15-13(21)8-14(28-15)16(25)23-9-11-4-6-12(20)7-5-11/h4-8H,9-10H2,1-3H3,(H2,22,24)(H,23,25)/t19-/m0/s1 PFPJMLWNOHRMJC-IBGZPJMESA-N 259089 US9499502, 22k Beta-secretase 1 Homo sapiens 863.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095318 350083790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451417 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(Cl)c1 InChI=1S/C19H21Cl2N3O3S2/c1-18(2)17(22)24-19(3,10-29(18,26)27)15-13(21)8-14(28-15)16(25)23-9-11-5-4-6-12(20)7-11/h4-8H,9-10H2,1-3H3,(H2,22,24)(H,23,25)/t19-/m0/s1 CNMDTYPTQOQLEC-IBGZPJMESA-N 259090 US9499502, 22l Beta-secretase 1 Homo sapiens 1271 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095322 350083791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451418 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(cc1)C#N InChI=1S/C20H21ClN4O3S2/c1-19(2)18(23)25-20(3,11-30(19,27)28)16-14(21)8-15(29-16)17(26)24-10-13-6-4-12(9-22)5-7-13/h4-8H,10-11H2,1-3H3,(H2,23,25)(H,24,26)/t20-/m0/s1 DWVVACGAEVWNTD-FQEVSTJZSA-N 259091 US9499502, 22m Beta-secretase 1 Homo sapiens 1032 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095317 350083792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451419 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCC1CCC1 InChI=1S/C17H24ClN3O3S2/c1-16(2)15(19)21-17(3,9-26(16,23)24)13-11(18)7-12(25-13)14(22)20-8-10-5-4-6-10/h7,10H,4-6,8-9H2,1-3H3,(H2,19,21)(H,20,22)/t17-/m0/s1 PKUUIADSODNCBR-KRWDZBQOSA-N 259092 US9499502, 22n Beta-secretase 1 Homo sapiens 917 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095305 350083793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451420 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ncc(F)cc1Cl InChI=1S/C18H19Cl2FN4O3S2/c1-17(2)16(22)25-18(3,8-30(17,27)28)14-11(20)5-13(29-14)15(26)24-7-12-10(19)4-9(21)6-23-12/h4-6H,7-8H2,1-3H3,(H2,22,25)(H,24,26)/t18-/m0/s1 SGPNFMXERJQHIN-SFHVURJKSA-N 259093 US9499502, 22o Beta-secretase 1 Homo sapiens 1176 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095319 350083794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451421 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(cn1)C(F)(F)F InChI=1S/C19H20ClF3N4O3S2/c1-17(2)16(24)27-18(3,9-32(17,29)30)14-12(20)6-13(31-14)15(28)26-8-11-5-4-10(7-25-11)19(21,22)23/h4-7H,8-9H2,1-3H3,(H2,24,27)(H,26,28)/t18-/m0/s1 DMVZVMCIEFGBAL-SFHVURJKSA-N 259094 US9499502, 22p Beta-secretase 1 Homo sapiens 1800 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095373 350083795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451422 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnoc1 InChI=1S/C16H19ClN4O4S2/c1-15(2)14(18)21-16(3,8-27(15,23)24)12-10(17)4-11(26-12)13(22)19-5-9-6-20-25-7-9/h4,6-7H,5,8H2,1-3H3,(H2,18,21)(H,19,22)/t16-/m0/s1 SXRUVICBJGGINR-INIZCTEOSA-N 259095 US9499502, 22q Beta-secretase 1 Homo sapiens 358.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137865 350083796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451423 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnsn1 InChI=1S/C15H18ClN5O3S3/c1-14(2)13(17)20-15(3,7-27(14,23)24)11-9(16)4-10(25-11)12(22)18-5-8-6-19-26-21-8/h4,6H,5,7H2,1-3H3,(H2,17,20)(H,18,22)/t15-/m0/s1 ZTIDQCSNFADZCS-HNNXBMFYSA-N 259096 US9499502, 22r Beta-secretase 1 Homo sapiens 185.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095372 350083797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451424 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnn2ccccc12 InChI=1S/C20H22ClN5O3S2/c1-19(2)18(22)25-20(3,11-31(19,28)29)16-13(21)8-15(30-16)17(27)23-9-12-10-24-26-7-5-4-6-14(12)26/h4-8,10H,9,11H2,1-3H3,(H2,22,25)(H,23,27)/t20-/m0/s1 JNGKYIIMRKADEW-FQEVSTJZSA-N 259097 US9499502, 22s Beta-secretase 1 Homo sapiens 127.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137859 350083798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451425 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccncn1 InChI=1S/C17H20ClN5O3S2/c1-16(2)15(19)23-17(3,8-28(16,25)26)13-11(18)6-12(27-13)14(24)21-7-10-4-5-20-9-22-10/h4-6,9H,7-8H2,1-3H3,(H2,19,23)(H,21,24)/t17-/m0/s1 VALDWZJEAQMPKO-KRWDZBQOSA-N 259098 US9499502, 22t Beta-secretase 1 Homo sapiens 3128 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137856 350083799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451426 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cc(Cl)ccn1 InChI=1S/C18H20Cl2N4O3S2/c1-17(2)16(21)24-18(3,9-29(17,26)27)14-12(20)7-13(28-14)15(25)23-8-11-6-10(19)4-5-22-11/h4-7H,8-9H2,1-3H3,(H2,21,24)(H,23,25)/t18-/m0/s1 YZFSXNILTRMTEJ-SFHVURJKSA-N 259099 US9499502, 22u Beta-secretase 1 Homo sapiens 2723 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095287 350083800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451427 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccsn1 InChI=1S/C16H19ClN4O3S3/c1-15(2)14(18)20-16(3,8-27(15,23)24)12-10(17)6-11(26-12)13(22)19-7-9-4-5-25-21-9/h4-6H,7-8H2,1-3H3,(H2,18,20)(H,19,22)/t16-/m0/s1 FYAVBFLGGRJGPD-INIZCTEOSA-N 259100 US9499502, 22v Beta-secretase 1 Homo sapiens 291.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095282 350083801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451428 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C17H17ClN4O2S2/c1-16(2)15(20)22-17(3,9-26(16,23)24)14-12(18)5-13(25-14)11-4-10(6-19)7-21-8-11/h4-5,7-8H,9H2,1-3H3,(H2,20,22)/t17-/m0/s1 UFENPTPCZBUEGF-KRWDZBQOSA-N 259102 US9499502, 23 Beta-secretase 1 Homo sapiens 63 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095374 350083802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451429 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 InChI=1S/C15H17ClN4O2S2/c1-14(2)13(17)20-15(3,7-24(14,21)22)12-10(16)4-11(23-12)9-5-18-8-19-6-9/h4-6,8H,7H2,1-3H3,(H2,17,20)/t15-/m0/s1 KZLVTQQRYCUCJW-HNNXBMFYSA-N 259103 US9499502, 24 Beta-secretase 1 Homo sapiens 387 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137857 350083803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451430 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H20ClN3O2S2/c1-5-6-12-7-13(10-22-9-12)15-8-14(20)16(26-15)19(4)11-27(24,25)18(2,3)17(21)23-19/h7-10H,11H2,1-4H3,(H2,21,23)/t19-/m0/s1 ZSVOOLBFRHOTBE-IBGZPJMESA-N 259104 US9499502, 25 Beta-secretase 1 Homo sapiens 13.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137858 350083804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451431 COc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H20ClN3O3S2/c1-16(2)15(19)21-17(3,9-26(16,22)23)14-12(18)6-13(25-14)10-5-11(24-4)8-20-7-10/h5-8H,9H2,1-4H3,(H2,19,21)/t17-/m0/s1 JFZSGPHIQFBWSB-KRWDZBQOSA-N 259105 US9499502, 26 Beta-secretase 1 Homo sapiens 349.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138893 350083805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451432 COC(=O)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 259106 US9499502, 27 Beta-secretase 1 Homo sapiens 11.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138894 350083806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451433 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C(F)(F)F InChI=1S/C18H17ClF4N2O2S2/c1-16(2)15(24)25-17(3,8-29(16,26)27)14-11(19)7-13(28-14)9-4-5-12(20)10(6-9)18(21,22)23/h4-7H,8H2,1-3H3,(H2,24,25)/t17-/m0/s1 UCVYQFJYRQSMDS-KRWDZBQOSA-N 259107 US9499502, 27a Beta-secretase 1 Homo sapiens 172 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138966 350083807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451434 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C19H19ClN4O3S2/c1-18(2)17(21)23-19(3,9-29(18,25)26)15-13(20)8-14(28-15)11-5-4-6-12(7-11)16-24-22-10-27-16/h4-8,10H,9H2,1-3H3,(H2,21,23)/t19-/m0/s1 ZDJHWLIIQJNZPU-IBGZPJMESA-N 259108 US9499502, 27ae::US9499502, 27b Beta-secretase 1 Homo sapiens 8.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137862 350083808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451435 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1cnco1 InChI=1S/C20H20ClN3O3S2/c1-19(2)18(22)24-20(3,10-29(19,25)26)17-14(21)8-16(28-17)13-6-4-5-12(7-13)15-9-23-11-27-15/h4-9,11H,10H2,1-3H3,(H2,22,24)/t20-/m0/s1 FNCZOMKPEIFYCD-FQEVSTJZSA-N 259109 US9499502, 27af::US9499502, 27c Beta-secretase 1 Homo sapiens 12.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137870 350083809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451436 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1ccno1 InChI=1S/C20H20ClN3O3S2/c1-19(2)18(22)24-20(3,11-29(19,25)26)17-14(21)10-16(28-17)13-6-4-5-12(9-13)15-7-8-23-27-15/h4-10H,11H2,1-3H3,(H2,22,24)/t20-/m0/s1 WYYHHIJENGURRG-FQEVSTJZSA-N 259138 US9499502, 27ag::US9499502, 27d Beta-secretase 1 Homo sapiens 64.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137861 350083836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451437 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C(F)(F)F InChI=1S/C18H18ClF3N2O2S2/c1-16(2)15(23)24-17(3,9-28(16,25)26)14-12(19)8-13(27-14)10-5-4-6-11(7-10)18(20,21)22/h4-8H,9H2,1-3H3,(H2,23,24)/t17-/m0/s1 AJSWCXADGLKZRO-KRWDZBQOSA-N 259110 US9499502, 27e Beta-secretase 1 Homo sapiens 74.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095169 350083810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451438 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc2ccccc2s1 InChI=1S/C19H19ClN2O2S3/c1-18(2)17(21)22-19(3,10-27(18,23)24)16-12(20)9-15(26-16)14-8-11-6-4-5-7-13(11)25-14/h4-9H,10H2,1-3H3,(H2,21,22)/t19-/m0/s1 NUTDSVYZQCFFMW-IBGZPJMESA-N 259111 US9499502, 27f Beta-secretase 1 Homo sapiens 1184 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095166 350083811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451439 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1csc2ccccc12 InChI=1S/C19H19ClN2O2S3/c1-18(2)17(21)22-19(3,10-27(18,23)24)16-13(20)8-15(26-16)12-9-25-14-7-5-4-6-11(12)14/h4-9H,10H2,1-3H3,(H2,21,22)/t19-/m0/s1 PWRGGAPBUJTCNK-IBGZPJMESA-N 259112 US9499502, 27g Beta-secretase 1 Homo sapiens 2030 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562041 350083812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451440 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(OC(F)(F)F)c1 InChI=1S/C18H18ClF3N2O3S2/c1-16(2)15(23)24-17(3,9-29(16,25)26)14-12(19)8-13(28-14)10-5-4-6-11(7-10)27-18(20,21)22/h4-8H,9H2,1-3H3,(H2,23,24)/t17-/m0/s1 COUKOOQXQNPKHL-KRWDZBQOSA-N 259113 US9499502, 27h Beta-secretase 1 Homo sapiens 70.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259113&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562042 350083813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451441 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(F)c1 InChI=1S/C17H17ClF2N2O2S2/c1-16(2)15(21)22-17(3,8-26(16,23)24)14-12(18)7-13(25-14)9-4-10(19)6-11(20)5-9/h4-7H,8H2,1-3H3,(H2,21,22)/t17-/m0/s1 NZCUOXBHJDUNQP-KRWDZBQOSA-N 259114 US9499502, 27i Beta-secretase 1 Homo sapiens 170.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259114&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095170 350083814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451442 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N InChI=1S/C18H17ClFN3O2S2/c1-17(2)16(22)23-18(3,9-27(17,24)25)15-12(19)7-14(26-15)10-4-5-13(20)11(6-10)8-21/h4-7H,9H2,1-3H3,(H2,22,23)/t18-/m0/s1 DQEIAWMJBGGSNK-SFHVURJKSA-N 259115 US9499502, 27j Beta-secretase 1 Homo sapiens 5146 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137869 350083815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451443 COc1cc(ccn1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H20ClN3O3S2/c1-16(2)15(19)21-17(3,9-26(16,22)23)14-11(18)8-12(25-14)10-5-6-20-13(7-10)24-4/h5-8H,9H2,1-4H3,(H2,19,21)/t17-/m0/s1 VLFNKIUBFBAMHI-KRWDZBQOSA-N 259116 US9499502, 27k Beta-secretase 1 Homo sapiens 926 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259116&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095165 350083816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451444 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(Cl)c1 InChI=1S/C16H17Cl2N3O2S2/c1-15(2)14(19)21-16(3,8-25(15,22)23)13-11(18)5-12(24-13)9-4-10(17)7-20-6-9/h4-7H,8H2,1-3H3,(H2,19,21)/t16-/m0/s1 KQDVKEGLTLTSGE-INIZCTEOSA-N 259117 US9499502, 27l Beta-secretase 1 Homo sapiens 92.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095171 350083817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451445 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cnn2CCCc12 InChI=1S/C17H21ClN4O2S2/c1-16(2)15(19)21-17(3,9-26(16,23)24)14-11(18)7-13(25-14)10-8-20-22-6-4-5-12(10)22/h7-8H,4-6,9H2,1-3H3,(H2,19,21)/t17-/m0/s1 IFGFFDRUYIPINV-KRWDZBQOSA-N 259118 US9499502, 27m Beta-secretase 1 Homo sapiens 5339 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562043 350083818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451446 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccn2ncnc2c1 InChI=1S/C17H18ClN5O2S2/c1-16(2)15(19)22-17(3,8-27(16,24)25)14-11(18)7-12(26-14)10-4-5-23-13(6-10)20-9-21-23/h4-7,9H,8H2,1-3H3,(H2,19,22)/t17-/m0/s1 QODXBINQRMTKEF-KRWDZBQOSA-N 259119 US9499502, 27n Beta-secretase 1 Homo sapiens 272.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095167 350083819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451447 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(OC(F)F)c1 InChI=1S/C18H19ClF2N2O3S2/c1-17(2)15(22)23-18(3,9-28(17,24)25)14-12(19)8-13(27-14)10-5-4-6-11(7-10)26-16(20)21/h4-8,16H,9H2,1-3H3,(H2,22,23)/t18-/m0/s1 QFBUHTOCJOKOCC-SFHVURJKSA-N 259120 US9499502, 27o Beta-secretase 1 Homo sapiens 66.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095297 350083820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451448 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc2nncn2c1 InChI=1S/C17H18ClN5O2S2/c1-16(2)15(19)21-17(3,8-27(16,24)25)14-11(18)6-12(26-14)10-4-5-13-22-20-9-23(13)7-10/h4-7,9H,8H2,1-3H3,(H2,19,21)/t17-/m0/s1 VKWXLTRHPBDUBR-KRWDZBQOSA-N 259121 US9499502, 27p Beta-secretase 1 Homo sapiens 2533 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095093 350083821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451449 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc2ncnn2c1 InChI=1S/C17H18ClN5O2S2/c1-16(2)15(19)22-17(3,8-27(16,24)25)14-11(18)6-12(26-14)10-4-5-13-20-9-21-23(13)7-10/h4-7,9H,8H2,1-3H3,(H2,19,22)/t17-/m0/s1 SGFXQLMACYUJBA-KRWDZBQOSA-N 259122 US9499502, 27q Beta-secretase 1 Homo sapiens 296.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095152 350083822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451450 COCCn1cc(cn1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H23ClN4O3S2/c1-16(2)15(19)21-17(3,10-27(16,23)24)14-12(18)7-13(26-14)11-8-20-22(9-11)5-6-25-4/h7-9H,5-6,10H2,1-4H3,(H2,19,21)/t17-/m0/s1 LISSBZZHEPEKQB-KRWDZBQOSA-N 259123 US9499502, 27r Beta-secretase 1 Homo sapiens 448.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095104 350083823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451451 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(Cl)cc(c1)C#N InChI=1S/C18H17Cl2N3O2S2/c1-17(2)16(22)23-18(3,9-27(17,24)25)15-13(20)7-14(26-15)11-4-10(8-21)5-12(19)6-11/h4-7H,9H2,1-3H3,(H2,22,23)/t18-/m0/s1 GCYNZDJSEILSIV-SFHVURJKSA-N 259124 US9499502, 27s Beta-secretase 1 Homo sapiens 64.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137871 350083824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451452 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc(C#N)c(c1)C(F)(F)F InChI=1S/C19H17ClF3N3O2S2/c1-17(2)16(25)26-18(3,9-30(17,27)28)15-13(20)7-14(29-15)10-4-5-11(8-24)12(6-10)19(21,22)23/h4-7H,9H2,1-3H3,(H2,25,26)/t18-/m0/s1 VGUHVSQJHXISSP-SFHVURJKSA-N 259125 US9499502, 27t Beta-secretase 1 Homo sapiens 291.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137872 350083825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451453 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-n1nccn1 InChI=1S/C19H20ClN5O2S2/c1-18(2)17(21)24-19(3,11-29(18,26)27)16-14(20)10-15(28-16)12-5-4-6-13(9-12)25-22-7-8-23-25/h4-10H,11H2,1-3H3,(H2,21,24)/t19-/m0/s1 YZPRYCLCUSSGIP-IBGZPJMESA-N 259126 US9499502, 27u Beta-secretase 1 Homo sapiens 49.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562044 350083826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451454 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cnc(o1)-c1ccc(F)cc1 InChI=1S/C20H19ClFN3O3S2/c1-19(2)18(23)25-20(3,10-30(19,26)27)16-13(21)8-15(29-16)14-9-24-17(28-14)11-4-6-12(22)7-5-11/h4-9H,10H2,1-3H3,(H2,23,25)/t20-/m0/s1 OQNJPRIJYBAMSN-FQEVSTJZSA-N 259127 US9499502, 27v Beta-secretase 1 Homo sapiens 71.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095110 350083827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451455 COc1cncc(n1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H19ClN4O3S2/c1-15(2)14(18)21-16(3,8-26(15,22)23)13-9(17)5-11(25-13)10-6-19-7-12(20-10)24-4/h5-7H,8H2,1-4H3,(H2,18,21)/t16-/m0/s1 PRTBWAPOQFKMAG-INIZCTEOSA-N 259128 US9499502, 27w Beta-secretase 1 Homo sapiens 1292 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095114 350083828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451456 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1coc(n1)-c1ccc(F)cc1 InChI=1S/C20H19ClFN3O3S2/c1-19(2)18(23)25-20(3,10-30(19,26)27)16-13(21)8-15(29-16)14-9-28-17(24-14)11-4-6-12(22)7-5-11/h4-9H,10H2,1-3H3,(H2,23,25)/t20-/m0/s1 KPLRSMOPLYDVRX-FQEVSTJZSA-N 259129 US9499502, 27x Beta-secretase 1 Homo sapiens 1110 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095103 350083829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451457 COc1ncc(cn1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H19ClN4O3S2/c1-15(2)13(18)21-16(3,8-26(15,22)23)12-10(17)5-11(25-12)9-6-19-14(24-4)20-7-9/h5-7H,8H2,1-4H3,(H2,18,21)/t16-/m0/s1 SBWUCYAKBKWXFI-INIZCTEOSA-N 259130 US9499502, 27y Beta-secretase 1 Homo sapiens 1717 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095133 350083830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451458 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(C#N)c1F InChI=1S/C18H17ClFN3O2S2/c1-17(2)16(22)23-18(3,9-27(17,24)25)15-12(19)7-13(26-15)11-6-4-5-10(8-21)14(11)20/h4-7H,9H2,1-3H3,(H2,22,23)/t18-/m0/s1 PJNRJSZFYRJRHR-SFHVURJKSA-N 259131 US9499502, 27z Beta-secretase 1 Homo sapiens 400.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137873 350083831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451459 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1cnco1 InChI=1S/C20H19ClFN3O3S2/c1-19(2)18(23)25-20(3,9-30(19,26)27)17-14(21)7-16(29-17)12-4-11(5-13(22)6-12)15-8-24-10-28-15/h4-8,10H,9H2,1-3H3,(H2,23,25)/t20-/m0/s1 OMNZSVLJRZCPHO-FQEVSTJZSA-N 259132 US9499502, 27aa Beta-secretase 1 Homo sapiens 26.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095101 350083832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451460 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C19H18ClFN4O3S2/c1-18(2)17(22)24-19(3,8-30(18,26)27)15-13(20)7-14(29-15)10-4-11(6-12(21)5-10)16-25-23-9-28-16/h4-7,9H,8H2,1-3H3,(H2,22,24)/t19-/m0/s1 RNIVXENTTYYSQY-IBGZPJMESA-N 259133 US9499502, 27ab Beta-secretase 1 Homo sapiens 15.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095107 350083833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451461 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1cnco1 InChI=1S/C19H19ClN4O3S2/c1-18(2)17(21)24-19(3,9-29(18,25)26)16-13(20)5-15(28-16)12-4-11(6-22-7-12)14-8-23-10-27-14/h4-8,10H,9H2,1-3H3,(H2,21,24)/t19-/m0/s1 FXGSWXHWUCOIPC-IBGZPJMESA-N 259134 US9499502, 27ac Beta-secretase 1 Homo sapiens 22.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095127 350083834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451462 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 InChI=1S/C19H19ClN4O3S2/c1-18(2)17(21)24-19(3,10-29(18,25)26)15-13(20)7-14(28-15)11-6-12(9-22-8-11)16-23-4-5-27-16/h4-9H,10H2,1-3H3,(H2,21,24)/t19-/m0/s1 IOBPTURJEQXHAO-IBGZPJMESA-N 259135 US9499502, 27ad Beta-secretase 1 Homo sapiens 44.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095130 350083835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451463 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C19H19ClN4O3S2/c1-18(2)17(21)23-19(3,9-29(18,25)26)15-13(20)8-14(28-15)11-5-4-6-12(7-11)16-24-22-10-27-16/h4-8,10H,9H2,1-3H3,(H2,21,23)/t19-/m0/s1 ZDJHWLIIQJNZPU-IBGZPJMESA-N 259108 US9499502, 27ae::US9499502, 27b Beta-secretase 1 Homo sapiens 8.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137862 350083808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451464 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1cnco1 InChI=1S/C20H20ClN3O3S2/c1-19(2)18(22)24-20(3,10-29(19,25)26)17-14(21)8-16(28-17)13-6-4-5-12(7-13)15-9-23-11-27-15/h4-9,11H,10H2,1-3H3,(H2,22,24)/t20-/m0/s1 FNCZOMKPEIFYCD-FQEVSTJZSA-N 259109 US9499502, 27af::US9499502, 27c Beta-secretase 1 Homo sapiens 12.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137870 350083809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451465 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1ccno1 InChI=1S/C20H20ClN3O3S2/c1-19(2)18(22)24-20(3,11-29(19,25)26)17-14(21)10-16(28-17)13-6-4-5-12(9-13)15-7-8-23-27-15/h4-10H,11H2,1-3H3,(H2,22,24)/t20-/m0/s1 WYYHHIJENGURRG-FQEVSTJZSA-N 259138 US9499502, 27ag::US9499502, 27d Beta-secretase 1 Homo sapiens 64.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137861 350083836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451466 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cccc(c1)-c1nnco1 InChI=1S/C19H20N4O3S2/c1-18(2)17(20)22-19(3,10-28(18,24)25)15-8-14(9-27-15)12-5-4-6-13(7-12)16-23-21-11-26-16/h4-9,11H,10H2,1-3H3,(H2,20,22)/t19-/m0/s1 RPWIOZZDPSZHDG-IBGZPJMESA-N 259139 US9499502, 27ah Beta-secretase 1 Homo sapiens 41.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095154 350083837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451467 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cccc(c1)-c1cnco1 InChI=1S/C20H21N3O3S2/c1-19(2)18(21)23-20(3,11-28(19,24)25)17-8-15(10-27-17)13-5-4-6-14(7-13)16-9-22-12-26-16/h4-10,12H,11H2,1-3H3,(H2,21,23)/t20-/m0/s1 GKSQYLRNBXGOPI-FQEVSTJZSA-N 259140 US9499502, 27ai Beta-secretase 1 Homo sapiens 74 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095229 350083838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451468 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cccc(c1)-c1ccno1 InChI=1S/C20H21N3O3S2/c1-19(2)18(21)23-20(3,12-28(19,24)25)17-10-15(11-27-17)13-5-4-6-14(9-13)16-7-8-22-26-16/h4-11H,12H2,1-3H3,(H2,21,23)/t20-/m0/s1 IGAJQVCRMDMLDI-FQEVSTJZSA-N 259141 US9499502, 27aj Beta-secretase 1 Homo sapiens 112.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095230 350083839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451469 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cncc(c1)-c1ncco1 InChI=1S/C19H20N4O3S2/c1-18(2)17(20)23-19(3,11-28(18,24)25)15-7-14(10-27-15)12-6-13(9-21-8-12)16-22-4-5-26-16/h4-10H,11H2,1-3H3,(H2,20,23)/t19-/m0/s1 LYZMIZDPAYYUDX-IBGZPJMESA-N 259142 US9499502, 27ak Beta-secretase 1 Homo sapiens 128.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562045 350083840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451470 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cncc(c1)-c1cnco1 InChI=1S/C19H20N4O3S2/c1-18(2)17(20)23-19(3,10-28(18,24)25)16-5-14(9-27-16)12-4-13(7-21-6-12)15-8-22-11-26-15/h4-9,11H,10H2,1-3H3,(H2,20,23)/t19-/m0/s1 NHMWXOQJSMLEEZ-IBGZPJMESA-N 259143 US9499502, 27al Beta-secretase 1 Homo sapiens 93.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259143&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095250 350083841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451471 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cc(F)cc(c1)-c1cnco1 InChI=1S/C20H20FN3O3S2/c1-19(2)18(22)24-20(3,10-29(19,25)26)17-7-14(9-28-17)12-4-13(6-15(21)5-12)16-8-23-11-27-16/h4-9,11H,10H2,1-3H3,(H2,22,24)/t20-/m0/s1 QHKCSFFXIOUWCT-FQEVSTJZSA-N 259144 US9499502, 27am Beta-secretase 1 Homo sapiens 80.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095236 350083842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451472 COc1cccc2cc([nH]c12)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 259145 US9499502, 27an Beta-secretase 1 Homo sapiens 21 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137875 350083843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451473 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1ncon1 InChI=1S/C19H19FN4O3S2/c1-18(2)17(21)23-19(3,9-29(18,25)26)15-13(20)8-14(28-15)11-5-4-6-12(7-11)16-22-10-27-24-16/h4-8,10H,9H2,1-3H3,(H2,21,23)/t19-/m0/s1 WRHDLTRRSBQGAL-IBGZPJMESA-N 259146 US9499502, 27ao Beta-secretase 1 Homo sapiens 100 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095172 350083844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451474 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cncc(c1)C#N InChI=1S/C17H17FN4O2S2/c1-16(2)15(20)22-17(3,9-26(16,23)24)14-12(18)5-13(25-14)11-4-10(6-19)7-21-8-11/h4-5,7-8H,9H2,1-3H3,(H2,20,22)/t17-/m0/s1 HABGAUGNALXBGR-KRWDZBQOSA-N 259147 US9499502, 27ap Beta-secretase 1 Homo sapiens 102 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137877 350083845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451475 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C18H18FN3O2S2/c1-17(2)16(21)22-18(3,10-26(17,23)24)15-13(19)8-14(25-15)12-6-4-5-11(7-12)9-20/h4-8H,10H2,1-3H3,(H2,21,22)/t18-/m0/s1 YVKYWWUIVQDUMS-SFHVURJKSA-N 259148 US9499502, 27aq Beta-secretase 1 Homo sapiens 76 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137879 350083846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451476 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 InChI=1S/C19H19FN4O3S2/c1-18(2)17(21)23-19(3,9-29(18,25)26)15-13(20)8-14(28-15)11-5-4-6-12(7-11)16-24-22-10-27-16/h4-8,10H,9H2,1-3H3,(H2,21,23)/t19-/m0/s1 VJWYGQPOSIPOGQ-IBGZPJMESA-N 259149 US9499502, 27ar Beta-secretase 1 Homo sapiens 11 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137880 350083847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451477 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C19H18F2N4O3S2/c1-18(2)17(22)24-19(3,8-30(18,26)27)15-13(21)7-14(29-15)10-4-11(6-12(20)5-10)16-25-23-9-28-16/h4-7,9H,8H2,1-3H3,(H2,22,24)/t19-/m0/s1 NDMCQAYJSUCCCI-IBGZPJMESA-N 259150 US9499502, 27as Beta-secretase 1 Homo sapiens 9.4 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562468 350083848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451478 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cc(F)cc(c1)-c1cnco1 InChI=1S/C20H19F2N3O3S2/c1-19(2)18(23)25-20(3,9-30(19,26)27)17-14(22)7-16(29-17)12-4-11(5-13(21)6-12)15-8-24-10-28-15/h4-8,10H,9H2,1-3H3,(H2,23,25)/t20-/m0/s1 DHQDSSRLQIQPHQ-FQEVSTJZSA-N 259151 US9499502, 27at Beta-secretase 1 Homo sapiens 26 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562469 350083849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451479 COc1cncc(n1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C16H19FN4O3S2/c1-15(2)14(18)21-16(3,8-26(15,22)23)13-9(17)5-11(25-13)10-6-19-7-12(20-10)24-4/h5-7H,8H2,1-4H3,(H2,18,21)/t16-/m0/s1 OJZNAHLTKZTFGW-INIZCTEOSA-N 259152 US9499502, 27au Beta-secretase 1 Homo sapiens 943 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137881 350083850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451480 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1ccnc(c1)C1CC1 InChI=1S/C19H22FN3O2S2/c1-18(2)17(21)23-19(3,10-27(18,24)25)16-13(20)9-15(26-16)12-6-7-22-14(8-12)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H2,21,23)/t19-/m0/s1 XQINVEQEBMSYFJ-IBGZPJMESA-N 259153 US9499502, 27av Beta-secretase 1 Homo sapiens 663 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137882 350083851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451481 Cc1noc(n1)-c1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H21FN4O3S2/c1-11-23-17(28-25-11)13-7-5-6-12(8-13)15-9-14(21)16(29-15)20(4)10-30(26,27)19(2,3)18(22)24-20/h5-9H,10H2,1-4H3,(H2,22,24)/t20-/m0/s1 UXEFOFZBMMHKCN-FQEVSTJZSA-N 259154 US9499502, 27aw Beta-secretase 1 Homo sapiens 125 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137883 350083852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451482 Cc1nnc(o1)-c1ccc(F)c(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H20F2N4O3S2/c1-10-25-26-17(29-10)11-5-6-13(21)12(7-11)15-8-14(22)16(30-15)20(4)9-31(27,28)19(2,3)18(23)24-20/h5-8H,9H2,1-4H3,(H2,23,24)/t20-/m0/s1 YRNALOVKNPHLOX-FQEVSTJZSA-N 259155 US9499502, 27ax Beta-secretase 1 Homo sapiens 858 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137884 350083853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451483 Cc1nnc(o1)-c1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H21FN4O3S2/c1-11-24-25-17(28-11)13-7-5-6-12(8-13)15-9-14(21)16(29-15)20(4)10-30(26,27)19(2,3)18(22)23-20/h5-9H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1 OEDPDEVDXFBJLG-FQEVSTJZSA-N 259156 US9499502, 27ay Beta-secretase 1 Homo sapiens 480 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137885 350083854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451484 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cncc(c1)-c1nnco1 InChI=1S/C18H18FN5O3S2/c1-17(2)16(20)23-18(3,8-29(17,25)26)14-12(19)5-13(28-14)10-4-11(7-21-6-10)15-24-22-9-27-15/h4-7,9H,8H2,1-3H3,(H2,20,23)/t18-/m0/s1 FLJWYEBSJWSVTH-SFHVURJKSA-N 259157 US9499502, 27az Beta-secretase 1 Homo sapiens 14 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137886 350083855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451485 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1 InChI=1S/C19H19ClN4O3S2/c1-18(2)17(21)22-19(3,10-29(18,25)26)14-12(20)9-13(28-14)16-24-23-15(27-16)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,21,22)/t19-/m0/s1 ZLRJDOVWMSHYJM-IBGZPJMESA-N 259158 US9499502, 27ba Beta-secretase 1 Homo sapiens 257.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137887 350083856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451486 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 InChI=1S/C19H18ClFN4O3S2/c1-18(2)17(22)23-19(3,9-30(18,26)27)14-12(20)8-13(29-14)16-25-24-15(28-16)10-4-6-11(21)7-5-10/h4-8H,9H2,1-3H3,(H2,22,23)/t19-/m0/s1 PRSIIYYVGLNENM-IBGZPJMESA-N 259159 US9499502, 27bb Beta-secretase 1 Homo sapiens 102.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137889 350083857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451487 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C19H18Cl2N4O3S2/c1-18(2)17(22)23-19(3,9-30(18,26)27)14-12(21)8-13(29-14)16-25-24-15(28-16)10-4-6-11(20)7-5-10/h4-8H,9H2,1-3H3,(H2,22,23)/t19-/m0/s1 WITGPFFAZPOXBX-IBGZPJMESA-N 259160 US9499502, 27bc Beta-secretase 1 Homo sapiens 35.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137890 350083858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451488 COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H21ClN4O4S2/c1-19(2)18(22)23-20(3,10-31(19,26)27)15-13(21)9-14(30-15)17-25-24-16(29-17)11-5-7-12(28-4)8-6-11/h5-9H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1 JUKYFIZDFKJKSL-FQEVSTJZSA-N 259161 US9499502, 27bd Beta-secretase 1 Homo sapiens 76.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138924 350083859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451489 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N InChI=1S/C20H18ClN5O3S2/c1-19(2)18(23)24-20(3,10-31(19,27)28)15-13(21)8-14(30-15)17-26-25-16(29-17)12-6-4-11(9-22)5-7-12/h4-8H,10H2,1-3H3,(H2,23,24)/t20-/m0/s1 ZRANACLWRPQMHF-FQEVSTJZSA-N 259162 US9499502, 27be Beta-secretase 1 Homo sapiens 49.2 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259162&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138895 350083860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451490 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C19H18ClFN4O3S2/c1-18(2)17(22)23-19(3,9-30(18,26)27)14-12(21)8-13(29-14)16-25-24-15(28-16)10-4-6-11(20)7-5-10/h4-8H,9H2,1-3H3,(H2,22,23)/t19-/m0/s1 QWZKAFRDKLLVGW-IBGZPJMESA-N 259163 US9499502, 27bf Beta-secretase 1 Homo sapiens 30.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562146 350083861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451491 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(F)cc1 InChI=1S/C19H18F2N4O3S2/c1-18(2)17(22)23-19(3,9-30(18,26)27)14-12(21)8-13(29-14)16-25-24-15(28-16)10-4-6-11(20)7-5-10/h4-8H,9H2,1-3H3,(H2,22,23)/t19-/m0/s1 QESFFQVWHNGJCH-IBGZPJMESA-N 259164 US9499502, 27bg Beta-secretase 1 Homo sapiens 79.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137892 350083862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451492 COc1ccc(cc1)-c1nnc(o1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H21FN4O4S2/c1-19(2)18(22)23-20(3,10-31(19,26)27)15-13(21)9-14(30-15)17-25-24-16(29-17)11-5-7-12(28-4)8-6-11/h5-9H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1 FWPGRDCZUYDDPP-FQEVSTJZSA-N 259165 US9499502, 27bh Beta-secretase 1 Homo sapiens 74 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138951 350083863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451493 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(cc1)C#N InChI=1S/C20H18FN5O3S2/c1-19(2)18(23)24-20(3,10-31(19,27)28)15-13(21)8-14(30-15)17-26-25-16(29-17)12-6-4-11(9-22)5-7-12/h4-8H,10H2,1-3H3,(H2,23,24)/t20-/m0/s1 SXQFRCCYSJSLCF-FQEVSTJZSA-N 259166 US9499502, 27bi Beta-secretase 1 Homo sapiens 48.9 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90138925 350083864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451494 C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C19H17F4N3O2S2/c1-17(10-30(27,28)18(2,16(25)26-17)9-19(21,22)23)15-13(20)7-14(29-15)12-5-3-4-11(6-12)8-24/h3-7H,9-10H2,1-2H3,(H2,25,26)/t17-,18-/m0/s1 XQOLXJKJFXAENW-ROUUACIJSA-N 259167 US9499502, 27bj-a Beta-secretase 1 Homo sapiens 35.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094909 350083865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451496 C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 InChI=1S/C20H18F4N4O3S2/c1-18(9-33(29,30)19(2,17(25)27-18)8-20(22,23)24)15-13(21)7-14(32-15)11-4-3-5-12(6-11)16-28-26-10-31-16/h3-7,10H,8-9H2,1-2H3,(H2,25,27)/t18-,19-/m0/s1 LJVPBFAZHIFHIY-OALUTQOASA-N 259169 US9499502, 27bk-a Beta-secretase 1 Homo sapiens 4.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137896 350083867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451497 C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 InChI=1S/C20H18F4N4O3S2/c1-18(9-33(29,30)19(2,17(25)27-18)8-20(22,23)24)15-13(21)7-14(32-15)11-4-3-5-12(6-11)16-28-26-10-31-16/h3-7,10H,8-9H2,1-2H3,(H2,25,27)/t18-,19+/m0/s1 LJVPBFAZHIFHIY-RBUKOAKNSA-N 259170 US9499502, 27bk-b Beta-secretase 1 Homo sapiens 105.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095123 350083868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451498 COc1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1 InChI=1S/C19H20F4N2O3S2/c1-17(10-30(26,27)18(2,16(24)25-17)9-19(21,22)23)15-13(20)8-14(29-15)11-5-4-6-12(7-11)28-3/h4-8H,9-10H2,1-3H3,(H2,24,25)/t17-,18-/m0/s1 JECHMSBNYOTNJQ-ROUUACIJSA-N 259171 US9499502, 27bl-a Beta-secretase 1 Homo sapiens 223 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095387 350083869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451499 COc1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1 InChI=1S/C19H20F4N2O3S2/c1-17(10-30(26,27)18(2,16(24)25-17)9-19(21,22)23)15-13(20)8-14(29-15)11-5-4-6-12(7-11)28-3/h4-8H,9-10H2,1-3H3,(H2,24,25)/t17-,18+/m0/s1 JECHMSBNYOTNJQ-ZWKOTPCHSA-N 259172 US9499502, 27bl-b Beta-secretase 1 Homo sapiens 7310 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095388 350083870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451500 C[C@]1(CS(=O)(=O)C(C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1ccc(F)c(c1)C#N InChI=1S/C19H16F5N3O2S2/c1-17(9-31(28,29)18(2,16(26)27-17)8-19(22,23)24)15-13(21)6-14(30-15)10-3-4-12(20)11(5-10)7-25/h3-6H,8-9H2,1-2H3,(H2,26,27)/t17-,18?/m0/s1 NYMQCQXBRWDRNJ-ZENAZSQFSA-N 259173 US9499502, 27bm-a Beta-secretase 1 Homo sapiens 35 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137898 350083871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451501 COc1cncc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(CC(F)(F)F)C(=N)N1 InChI=1S/C18H19F4N3O3S2/c1-16(9-30(26,27)17(2,15(23)25-16)8-18(20,21)22)14-12(19)5-13(29-14)10-4-11(28-3)7-24-6-10/h4-7H,8-9H2,1-3H3,(H2,23,25)/t16-,17?/m0/s1 UDOIOWAQRBOTGU-BHWOMJMDSA-N 259174 US9499502, 27bn-a Beta-secretase 1 Homo sapiens 8018 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137899 350083872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451502 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C22H19FN4O2S2/c1-21(19-16(23)11-17(30-19)15-7-5-6-14(10-15)12-24)13-31(28,29)22(2,20(25)27-21)18-8-3-4-9-26-18/h3-11H,13H2,1-2H3,(H2,25,27)/t21-,22-/m0/s1 UPPNJLCAEDNXBS-VXKWHMMOSA-N 259175 US9499502, 27bo-a Beta-secretase 1 Homo sapiens 131.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137900 350083873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451503 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C22H19FN4O2S2/c1-21(19-16(23)11-17(30-19)15-7-5-6-14(10-15)12-24)13-31(28,29)22(2,20(25)27-21)18-8-3-4-9-26-18/h3-11H,13H2,1-2H3,(H2,25,27)/t21-,22+/m0/s1 UPPNJLCAEDNXBS-FCHUYYIVSA-N 259176 US9499502, 27bo-b Beta-secretase 1 Homo sapiens 2718 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137901 350083874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451504 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 InChI=1S/C23H20FN5O3S2/c1-22(12-34(30,31)23(2,21(25)28-22)18-8-3-4-9-26-18)19-16(24)11-17(33-19)14-6-5-7-15(10-14)20-29-27-13-32-20/h3-11,13H,12H2,1-2H3,(H2,25,28)/t22-,23-/m0/s1 WAXVMHHDZIPPRK-GOTSBHOMSA-N 259177 US9499502, 27bp-a Beta-secretase 1 Homo sapiens 17.8 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095120 350083875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451505 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 InChI=1S/C23H20FN5O3S2/c1-22(12-34(30,31)23(2,21(25)28-22)18-8-3-4-9-26-18)19-16(24)11-17(33-19)14-6-5-7-15(10-14)20-29-27-13-32-20/h3-11,13H,12H2,1-2H3,(H2,25,28)/t22-,23+/m0/s1 WAXVMHHDZIPPRK-XZOQPEGZSA-N 259178 US9499502, 27bp-b Beta-secretase 1 Homo sapiens 395.6 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137902 350083876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451506 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cncc(c1)C#N InChI=1S/C21H18FN5O2S2/c1-20(18-15(22)8-16(30-18)14-7-13(9-23)10-25-11-14)12-31(28,29)21(2,19(24)27-20)17-5-3-4-6-26-17/h3-8,10-11H,12H2,1-2H3,(H2,24,27)/t20-,21-/m0/s1 SLAWTBVXUZMEDY-SFTDATJTSA-N 259179 US9499502, 27bq-a Beta-secretase 1 Homo sapiens 268.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137903 350083877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451507 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cncc(c1)C#N InChI=1S/C21H18FN5O2S2/c1-20(18-15(22)8-16(30-18)14-7-13(9-23)10-25-11-14)12-31(28,29)21(2,19(24)27-20)17-5-3-4-6-26-17/h3-8,10-11H,12H2,1-2H3,(H2,24,27)/t20-,21+/m0/s1 SLAWTBVXUZMEDY-LEWJYISDSA-N 259180 US9499502, 27bq-b Beta-secretase 1 Homo sapiens 2495 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137904 350083878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451508 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C23H19F2N3O2S2/c1-22(20-18(25)11-19(31-20)15-6-3-5-14(9-15)12-26)13-32(29,30)23(2,21(27)28-22)16-7-4-8-17(24)10-16/h3-11H,13H2,1-2H3,(H2,27,28)/t22-,23-/m0/s1 PWYWDLXTZZYHQW-GOTSBHOMSA-N 259181 US9499502, 27br-a Beta-secretase 1 Homo sapiens 58.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137905 350083879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451509 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C23H19F2N3O2S2/c1-22(20-18(25)11-19(31-20)15-6-3-5-14(9-15)12-26)13-32(29,30)23(2,21(27)28-22)16-7-4-8-17(24)10-16/h3-11H,13H2,1-2H3,(H2,27,28)/t22-,23+/m0/s1 PWYWDLXTZZYHQW-XZOQPEGZSA-N 259182 US9499502, 27br-b Beta-secretase 1 Homo sapiens 4934 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137906 350083880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451510 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1F)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C23H19F2N3O2S2/c1-22(20-18(25)11-19(31-20)15-7-5-6-14(10-15)12-26)13-32(29,30)23(2,21(27)28-22)16-8-3-4-9-17(16)24/h3-11H,13H2,1-2H3,(H2,27,28)/t22-,23-/m0/s1 WJAPMRNJIJYRHN-GOTSBHOMSA-N 259183 US9499502, 27bs-a Beta-secretase 1 Homo sapiens 68.3 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137907 350083881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451511 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccc1F)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C23H19F2N3O2S2/c1-22(20-18(25)11-19(31-20)15-7-5-6-14(10-15)12-26)13-32(29,30)23(2,21(27)28-22)16-8-3-4-9-17(16)24/h3-11H,13H2,1-2H3,(H2,27,28)/t22-,23+/m0/s1 WJAPMRNJIJYRHN-XZOQPEGZSA-N 259184 US9499502, 27bs-b Beta-secretase 1 Homo sapiens 3174 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137908 350083882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451512 COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C20H22ClN3O4S2/c1-19(12-30(25,26)20(10-27-2,11-28-3)18(23)24-19)17-15(21)8-16(29-17)14-6-4-5-13(7-14)9-22/h4-8H,10-12H2,1-3H3,(H2,23,24)/t19-/m0/s1 JINCEVSAACSHAP-IBGZPJMESA-N 259185 US9499502, 27bt Beta-secretase 1 Homo sapiens 135 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137909 350083883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451513 COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C21H23ClN4O5S2/c1-20(11-33(27,28)21(9-29-2,10-30-3)19(23)25-20)17-15(22)8-16(32-17)13-5-4-6-14(7-13)18-26-24-12-31-18/h4-8,12H,9-11H2,1-3H3,(H2,23,25)/t20-/m0/s1 RBXMYYPSQSUKBI-FQEVSTJZSA-N 259186 US9499502, 27bu Beta-secretase 1 Homo sapiens 1173 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095143 350083884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451514 COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc2cccc(OC)c2[nH]1 259187 US9499502, 27bv Beta-secretase 1 Homo sapiens 79 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095106 350083885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451515 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C22H25ClN4O3S2/c1-21(19-17(23)8-18(31-19)16-7-15(10-24)11-26-12-16)13-32(28,29)22(2,20(25)27-21)9-14-3-5-30-6-4-14/h7-8,11-12,14H,3-6,9,13H2,1-2H3,(H2,25,27)/t21-,22-/m0/s1 XPFYEGPUXFNIDN-VXKWHMMOSA-N 259188 US9499502, 27bw Beta-secretase 1 Homo sapiens 163 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137911 350083886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451516 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1 259189 US9499502, 27bx Beta-secretase 1 Homo sapiens 18 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095078 350083887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451517 C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C20H17ClF4N4O3S2/c1-18(9-34(30,31)19(2,17(26)27-18)8-20(23,24)25)14-12(22)7-13(33-14)16-29-28-15(32-16)10-3-5-11(21)6-4-10/h3-7H,8-9H2,1-2H3,(H2,26,27)/t18-,19-/m0/s1 IBGJBGCEQLLKPR-OALUTQOASA-N 259190 US9499502, 27by-a Beta-secretase 1 Homo sapiens 29.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137912 350083888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451518 C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C20H17ClF4N4O3S2/c1-18(9-34(30,31)19(2,17(26)27-18)8-20(23,24)25)14-12(22)7-13(33-14)16-29-28-15(32-16)10-3-5-11(21)6-4-10/h3-7H,8-9H2,1-2H3,(H2,26,27)/t18-,19+/m0/s1 IBGJBGCEQLLKPR-RBUKOAKNSA-N 259191 US9499502, 27by-b Beta-secretase 1 Homo sapiens 450 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095395 350083889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451519 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C23H19ClFN5O3S2/c1-22(12-35(31,32)23(2,21(26)28-22)17-5-3-4-10-27-17)18-15(25)11-16(34-18)20-30-29-19(33-20)13-6-8-14(24)9-7-13/h3-11H,12H2,1-2H3,(H2,26,28)/t22-,23-/m0/s1 GGOREHHGRCHOAI-GOTSBHOMSA-N 259192 US9499502, 27bz-a Beta-secretase 1 Homo sapiens 51 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095389 350083890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451520 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 InChI=1S/C23H19ClFN5O3S2/c1-22(12-35(31,32)23(2,21(26)28-22)17-5-3-4-10-27-17)18-15(25)11-16(34-18)20-30-29-19(33-20)13-6-8-14(24)9-7-13/h3-11H,12H2,1-2H3,(H2,26,28)/t22-,23+/m0/s1 GGOREHHGRCHOAI-XZOQPEGZSA-N 259193 US9499502, 27bz-b Beta-secretase 1 Homo sapiens 791 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095138 350083891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451521 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cn2ccccc2n1 InChI=1S/C18H19ClN4O2S2/c1-17(2)16(20)22-18(3,10-27(17,24)25)15-11(19)8-13(26-15)12-9-23-7-5-4-6-14(23)21-12/h4-9H,10H2,1-3H3,(H2,20,22)/t18-/m0/s1 COQYFLFEGKOZTG-SFHVURJKSA-N 259194 US9499502, 28 Beta-secretase 1 Homo sapiens 2444 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137918 350083892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451522 COc1cccn2cc(nc12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21ClN4O3S2/c1-18(2)17(21)23-19(3,10-29(18,25)26)15-11(20)8-14(28-15)12-9-24-7-5-6-13(27-4)16(24)22-12/h5-9H,10H2,1-4H3,(H2,21,23)/t19-/m0/s1 GPLKYPDGUJLLSO-IBGZPJMESA-N 259195 US9499502, 28a Beta-secretase 1 Homo sapiens 804 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095108 350083893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451523 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cn2ccsc2n1 InChI=1S/C16H17ClN4O2S3/c1-15(2)13(18)20-16(3,8-26(15,22)23)12-9(17)6-11(25-12)10-7-21-4-5-24-14(21)19-10/h4-7H,8H2,1-3H3,(H2,18,20)/t16-/m0/s1 GQVBPTRGNJIZCR-INIZCTEOSA-N 259196 US9499502, 28b Beta-secretase 1 Homo sapiens 2630 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095067 350083894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451524 COc1cccc2nc(cn12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H21ClN4O3S2/c1-18(2)17(21)23-19(3,10-29(18,25)26)16-11(20)8-13(28-16)12-9-24-14(22-12)6-5-7-15(24)27-4/h5-9H,10H2,1-4H3,(H2,21,23)/t19-/m0/s1 BZLPSIZFSUZCJU-IBGZPJMESA-N 259197 US9499502, 28c Beta-secretase 1 Homo sapiens 108 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095070 350083895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451525 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1ccccc1 InChI=1S/C20H21N3O2S2/c1-19(2)17(21)23-20(3,12-27(19,24)25)18-22-15-10-9-14(11-16(15)26-18)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,21,23)/t20-/m0/s1 UHNURAQNNNHQGD-FQEVSTJZSA-N 259198 US9499502, 29 Beta-secretase 1 Homo sapiens 2273 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095139 350083896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451526 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1cccnc1 InChI=1S/C19H20N4O2S2/c1-18(2)16(20)23-19(3,11-27(18,24)25)17-22-14-7-6-12(9-15(14)26-17)13-5-4-8-21-10-13/h4-10H,11H2,1-3H3,(H2,20,23)/t19-/m0/s1 YJLJQDOXXORTJZ-IBGZPJMESA-N 259199 US9499502, 29a Beta-secretase 1 Homo sapiens 3383 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562147 350083897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451527 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1ccc(F)cc1 InChI=1S/C20H20FN3O2S2/c1-19(2)17(22)24-20(3,11-28(19,25)26)18-23-15-9-6-13(10-16(15)27-18)12-4-7-14(21)8-5-12/h4-10H,11H2,1-3H3,(H2,22,24)/t20-/m0/s1 UMINDAIWBBSGIP-FQEVSTJZSA-N 259200 US9499502, 29b Beta-secretase 1 Homo sapiens 2329 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095384 350083898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451528 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1cccc(c1)C#N InChI=1S/C21H20N4O2S2/c1-20(2)18(23)25-21(3,12-29(20,26)27)19-24-16-8-7-15(10-17(16)28-19)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,25)/t21-/m0/s1 IQVDMOASXJVKOQ-NRFANRHFSA-N 259201 US9499502, 29c Beta-secretase 1 Homo sapiens 2383 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095386 350083899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451529 COc1cccc(c1)-c1ccc2nc(sc2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C21H23N3O3S2/c1-20(2)18(22)24-21(3,12-29(20,25)26)19-23-16-9-8-14(11-17(16)28-19)13-6-5-7-15(10-13)27-4/h5-11H,12H2,1-4H3,(H2,22,24)/t21-/m0/s1 IIDQWQBYNMDXNY-NRFANRHFSA-N 259202 US9499502, 29d Beta-secretase 1 Homo sapiens 2844 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095390 350083900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451530 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(Nc2cccc(Cl)c2F)ccc1F InChI=1S/C18H19ClF2N4O2S/c1-17(2)16(22)25-18(3,9-28(17,26)27)15-11(20)7-8-13(24-15)23-12-6-4-5-10(19)14(12)21/h4-8H,9H2,1-3H3,(H2,22,25)(H,23,24)/t18-/m0/s1 ZKWCJXOVBHYDOX-SFHVURJKSA-N 259203 US9499502, 30 Beta-secretase 1 Homo sapiens 3198 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562148 350083901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451531 COc1ccccc1Nc1ccc(F)c(n1)[C@@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C19H23FN4O3S/c1-18(2)17(21)24-19(3,11-28(18,25)26)16-12(20)9-10-15(23-16)22-13-7-5-6-8-14(13)27-4/h5-10H,11H2,1-4H3,(H2,21,24)(H,22,23)/t19-/m1/s1 IKCNHOFMMPVTAG-LJQANCHMSA-N 259204 US9499502, 30a Beta-secretase 1 Homo sapiens 5277 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259204&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953976 350083902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451532 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(Nc2noc3cc(F)cnc23)ccc1F InChI=1S/C19H19F2N5O3S/c1-18(2)17(22)25-19(3,9-30(18,27)28)12-7-11(4-5-13(12)21)24-16-15-14(29-26-16)6-10(20)8-23-15/h4-8H,9H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 NDBAFCPTBXSRHA-IBGZPJMESA-N 259205 US9499502, 30b Beta-secretase 1 Homo sapiens 22 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095177 350083903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451533 COc1ccc(cc1)C#Cc1ccc(F)c(n1)C1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C21H22FN3O3S/c1-20(2)19(23)25-21(3,13-29(20,26)27)18-17(22)12-9-15(24-18)8-5-14-6-10-16(28-4)11-7-14/h6-7,9-12H,13H2,1-4H3,(H2,23,25) UTMBRSJWJLJSRI-UHFFFAOYSA-N 259206 US9499502, 31 Beta-secretase 1 Homo sapiens 7033 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095419 350083904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451534 Cc1nc2cc(C[C@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)ccc2o1 InChI=1S/C21H21F2N3O3S/c1-12-25-17-8-13(4-7-18(17)29-12)10-21(3)19(24)26-20(2,11-30(21,27)28)15-9-14(22)5-6-16(15)23/h4-9H,10-11H2,1-3H3,(H2,24,26)/t20-,21+/m0/s1 ZAAADZOILKRDRH-LEWJYISDSA-N 259208 US9499502, 32a-a Beta-secretase 1 Homo sapiens 3856 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953978 350083906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451535 Cc1nc2cc(C[C@@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)ccc2o1 InChI=1S/C21H21F2N3O3S/c1-12-25-17-8-13(4-7-18(17)29-12)10-21(3)19(24)26-20(2,11-30(21,27)28)15-9-14(22)5-6-16(15)23/h4-9H,10-11H2,1-3H3,(H2,24,26)/t20-,21-/m0/s1 ZAAADZOILKRDRH-SFTDATJTSA-N 259209 US9499502, 32a-b Beta-secretase 1 Homo sapiens 4637 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953979 350083907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451536 Cc1nc2ccc(C[C@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)cc2o1 InChI=1S/C21H21F2N3O3S/c1-12-25-17-7-4-13(8-18(17)29-12)10-21(3)19(24)26-20(2,11-30(21,27)28)15-9-14(22)5-6-16(15)23/h4-9H,10-11H2,1-3H3,(H2,24,26)/t20-,21+/m0/s1 DDOOFZOHDKEBLM-LEWJYISDSA-N 259210 US9499502, 32c-a Beta-secretase 1 Homo sapiens 3595 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953980 350083908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451537 Cc1nc2ccc(C[C@@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)cc2o1 InChI=1S/C21H21F2N3O3S/c1-12-25-17-7-4-13(8-18(17)29-12)10-21(3)19(24)26-20(2,11-30(21,27)28)15-9-14(22)5-6-16(15)23/h4-9H,10-11H2,1-3H3,(H2,24,26)/t20-,21-/m0/s1 DDOOFZOHDKEBLM-SFTDATJTSA-N 259211 US9499502, 32c-b Beta-secretase 1 Homo sapiens 2313 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953981 350083909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451538 COC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(F)ccc1F InChI=1S/C14H18F2N2O3S/c1-13(10-6-9(15)4-5-11(10)16)8-22(19,20)14(2,7-21-3)12(17)18-13/h4-6H,7-8H2,1-3H3,(H2,17,18)/t13-,14+/m0/s1 NSBQDVJYIQYEEC-UONOGXRCSA-N 259212 US9499502, 32d-a Beta-secretase 1 Homo sapiens 2009 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953982 350083910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451539 COC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(F)ccc1F InChI=1S/C14H18F2N2O3S/c1-13(10-6-9(15)4-5-11(10)16)8-22(19,20)14(2,7-21-3)12(17)18-13/h4-6H,7-8H2,1-3H3,(H2,17,18)/t13-,14-/m0/s1 NSBQDVJYIQYEEC-KBPBESRZSA-N 259213 US9499502, 32d-b Beta-secretase 1 Homo sapiens 2914 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131953983 350083911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451540 COc1cccc(c1)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(F)ccc1F InChI=1S/C19H20F2N2O3S/c1-18(15-10-13(20)7-8-16(15)21)11-27(24,25)19(2,17(22)23-18)12-5-4-6-14(9-12)26-3/h4-10H,11H2,1-3H3,(H2,22,23)/t18-,19-/m0/s1 BKKOAHSHQKUJQE-OALUTQOASA-N 259214 US9499502, 32e-a Beta-secretase 1 Homo sapiens 1097 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095293 350083912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451541 COc1cccc(c1)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1ccc(F)cc1F InChI=1S/C19H20F2N2O3S/c1-18(15-8-7-13(20)10-16(15)21)11-27(24,25)19(2,17(22)23-18)12-5-4-6-14(9-12)26-3/h4-10H,11H2,1-3H3,(H2,22,23)/t18-,19-/m0/s1 AHHKLVYNRVYBAW-OALUTQOASA-N 259215 US9499502, 32f-a Beta-secretase 1 Homo sapiens 1208 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095401 350083913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451542 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(Br)c1)c1ccc(F)cc1F InChI=1S/C18H17BrF2N2O2S/c1-17(14-7-6-13(20)9-15(14)21)10-26(24,25)18(2,16(22)23-17)11-4-3-5-12(19)8-11/h3-9H,10H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 XTRISXZRTBIAPI-ROUUACIJSA-N 259216 US9499502, 32g-a Beta-secretase 1 Homo sapiens 381.1 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095400 350083914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451543 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(Br)c1)c1ccc(F)cc1F InChI=1S/C18H17BrF2N2O2S/c1-17(14-7-6-13(20)9-15(14)21)10-26(24,25)18(2,16(22)23-17)11-4-3-5-12(19)8-11/h3-9H,10H2,1-2H3,(H2,22,23)/t17-,18+/m0/s1 XTRISXZRTBIAPI-ZWKOTPCHSA-N 259217 US9499502, 32g-b Beta-secretase 1 Homo sapiens 8834 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095407 350083915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451544 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1F InChI=1S/C19H17F5N2O2S/c1-17(14-7-6-13(20)9-15(14)21)10-29(27,28)18(2,16(25)26-17)11-4-3-5-12(8-11)19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,26)/t17-,18-/m0/s1 DPSKZHWZWPCSEG-ROUUACIJSA-N 259218 US9499502, 32h-a Beta-secretase 1 Homo sapiens 361.5 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095402 350083916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451545 C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1F InChI=1S/C19H17F5N2O2S/c1-17(14-7-6-13(20)9-15(14)21)10-29(27,28)18(2,16(25)26-17)11-4-3-5-12(8-11)19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,26)/t17-,18+/m0/s1 DPSKZHWZWPCSEG-ZWKOTPCHSA-N 259219 US9499502, 32h-b Beta-secretase 1 Homo sapiens 2118 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095408 350083917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451546 COc1cccc(C[C@@]2(C)C(=N)N[C@@](C)(CS2(=O)=O)c2ccc(F)cc2F)c1 InChI=1S/C20H22F2N2O3S/c1-19(16-8-7-14(21)10-17(16)22)12-28(25,26)20(2,18(23)24-19)11-13-5-4-6-15(9-13)27-3/h4-10H,11-12H2,1-3H3,(H2,23,24)/t19-,20-/m0/s1 VXLIZMUJIVXLCH-PMACEKPBSA-N 259220 US9499502, 32i-a Beta-secretase 1 Homo sapiens 3119 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095403 350083918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451547 COc1cccc(C[C@]2(C)C(=N)N[C@@](C)(CS2(=O)=O)c2ccc(F)cc2F)c1 InChI=1S/C20H22F2N2O3S/c1-19(16-8-7-14(21)10-17(16)22)12-28(25,26)20(2,18(23)24-19)11-13-5-4-6-15(9-13)27-3/h4-10H,11-12H2,1-3H3,(H2,23,24)/t19-,20+/m0/s1 VXLIZMUJIVXLCH-VQTJNVASSA-N 259221 US9499502, 32i-b Beta-secretase 1 Homo sapiens 3815 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095406 350083919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451548 C[C@]1(CS(=O)(=O)[C@@](C)(Cc2cccc(Br)c2)C(=N)N1)c1ccc(F)cc1F InChI=1S/C19H19BrF2N2O2S/c1-18(15-7-6-14(21)9-16(15)22)11-27(25,26)19(2,17(23)24-18)10-12-4-3-5-13(20)8-12/h3-9H,10-11H2,1-2H3,(H2,23,24)/t18-,19-/m0/s1 TURMKSIUAKKACD-OALUTQOASA-N 259222 US9499502, 32j-a Beta-secretase 1 Homo sapiens 2104 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095409 350083920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451549 C[C@]1(CS(=O)(=O)[C@](C)(Cc2cccc(Br)c2)C(=N)N1)c1ccc(F)cc1F InChI=1S/C19H19BrF2N2O2S/c1-18(15-7-6-14(21)9-16(15)22)11-27(25,26)19(2,17(23)24-18)10-12-4-3-5-13(20)8-12/h3-9H,10-11H2,1-2H3,(H2,23,24)/t18-,19+/m0/s1 TURMKSIUAKKACD-RBUKOAKNSA-N 259223 US9499502, 32j-b Beta-secretase 1 Homo sapiens 1269 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095404 350083921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451550 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1)c1ccc(F)cc1F InChI=1S/C18H18F2N2O2S/c1-17(14-9-8-13(19)10-15(14)20)11-25(23,24)18(2,16(21)22-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1 ZGFPPTZGHLBQOT-ROUUACIJSA-N 259224 US9499502, 33 Beta-secretase 1 Homo sapiens 1216 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095299 350083922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451551 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(O)c1)c1ccc(F)cc1F InChI=1S/C18H18F2N2O3S/c1-17(14-7-6-12(19)9-15(14)20)10-26(24,25)18(2,16(21)22-17)11-4-3-5-13(23)8-11/h3-9,23H,10H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1 RVJKKCVSYCAWNF-ROUUACIJSA-N 259225 US9499502, 34 Beta-secretase 1 Homo sapiens 708 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095301 350083923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451552 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F InChI=1S/C25H24F2N2O3S/c1-24(21-12-11-19(26)14-22(21)27)16-33(30,31)25(2,23(28)29-24)18-9-6-10-20(13-18)32-15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H2,28,29)/t24-,25-/m0/s1 KLDBQCFQDXEHEF-DQEYMECFSA-N 259226 US9499502, 34a Beta-secretase 1 Homo sapiens 2174 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095300 350083924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451553 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(OCC2CC2)c1)c1ccc(F)cc1F InChI=1S/C22H24F2N2O3S/c1-21(18-9-8-16(23)11-19(18)24)13-30(27,28)22(2,20(25)26-21)15-4-3-5-17(10-15)29-12-14-6-7-14/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H2,25,26)/t21-,22-/m0/s1 DHTIUSNCUKMODP-VXKWHMMOSA-N 259227 US9499502, 34b Beta-secretase 1 Homo sapiens 1133 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095086 350083925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451554 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(O)c1)c1cc(F)ccc1F InChI=1S/C18H18F2N2O3S/c1-17(14-9-12(19)6-7-15(14)20)10-26(24,25)18(2,16(21)22-17)11-4-3-5-13(23)8-11/h3-9,23H,10H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1 MVVIVKRZELZVGT-ROUUACIJSA-N 259228 US9499502, 34c-a Beta-secretase 1 Homo sapiens 1000 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095083 350083926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451555 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(OCc2ccccc2)c1)c1cc(F)ccc1F InChI=1S/C25H24F2N2O3S/c1-24(21-14-19(26)11-12-22(21)27)16-33(30,31)25(2,23(28)29-24)18-9-6-10-20(13-18)32-15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H2,28,29)/t24-,25-/m0/s1 OMUXJZGOABZJLW-DQEYMECFSA-N 259229 US9499502, 34d-a Beta-secretase 1 Homo sapiens 2900 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094931 350083927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451556 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)N1Cc2cc(Br)ccc2C1=O InChI=1S/C21H21BrFN3O3S/c1-20(2)19(24)25-21(3,11-30(20,28)29)16-9-14(5-7-17(16)23)26-10-12-8-13(22)4-6-15(12)18(26)27/h4-9H,10-11H2,1-3H3,(H2,24,25)/t21-/m0/s1 SERIDBXYYFBUPP-NRFANRHFSA-N 259230 US9499502, 35 Beta-secretase 1 Homo sapiens 1805 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094934 350083928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451557 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)N1Cc2cc(F)ccc2C1=O InChI=1S/C19H19ClFN3O3S2/c1-18(2)17(22)23-19(3,9-29(18,26)27)15-13(20)7-14(28-15)24-8-10-6-11(21)4-5-12(10)16(24)25/h4-7H,8-9H2,1-3H3,(H2,22,23)/t19-/m0/s1 JWGWNLUHXMABSD-IBGZPJMESA-N 259231 US9499502, 35a Beta-secretase 1 Homo sapiens 6076 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89094935 350083929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451558 CC(=O)c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C13H17ClN2O3S2/c1-7(17)9-5-8(14)10(20-9)13(4)6-21(18,19)12(2,3)11(15)16-13/h5H,6H2,1-4H3,(H2,15,16)/t13-/m0/s1 SGVGFWMLXSXUIM-ZDUSSCGKSA-N 259232 US9499502, 36 Beta-secretase 1 Homo sapiens 2060 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562150 350083930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451495 C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)C#N InChI=1S/C19H17F4N3O2S2/c1-17(10-30(27,28)18(2,16(25)26-17)9-19(21,22)23)15-13(20)7-14(29-15)12-5-3-4-11(6-12)8-24/h3-7H,9-10H2,1-2H3,(H2,25,26)/t17-,18+/m0/s1 XQOLXJKJFXAENW-ZWKOTPCHSA-N 259168 US9499502, 27bj-b Beta-secretase 1 Homo sapiens 828.7 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90137895 350083866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451559 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)ccc1F InChI=1S/C13H18FN3O2S/c1-12(2)11(16)17-13(3,7-20(12,18)19)9-6-8(15)4-5-10(9)14/h4-6H,7,15H2,1-3H3,(H2,16,17)/t13-/m0/s1 HIUMBVBKCIHWGI-ZDUSSCGKSA-N 259233 US9499502, Table A: Entry 2 Beta-secretase 1 Homo sapiens 6100 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715778 350083931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451560 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Cl)c1F InChI=1S/C13H16ClFN2O2S/c1-12(2)11(16)17-13(3,7-20(12,18)19)8-5-4-6-9(14)10(8)15/h4-6H,7H2,1-3H3,(H2,16,17)/t13-/m0/s1 VKIIBQCWYXDREJ-ZDUSSCGKSA-N 259234 US9499502, Table A: Entry 7 Beta-secretase 1 Homo sapiens 1400 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095184 350083932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451561 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)cc(Cl)c1F InChI=1S/C13H17ClFN3O2S/c1-12(2)11(17)18-13(3,6-21(12,19)20)8-4-7(16)5-9(14)10(8)15/h4-5H,6,16H2,1-3H3,(H2,17,18)/t13-/m0/s1 VQVWJAIQYZNJTD-ZDUSSCGKSA-N 259235 US9499502, Table A: Entry 9 Beta-secretase 1 Homo sapiens 3100 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095186 350083933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451562 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)cccc1F InChI=1S/C13H16F2N2O2S/c1-12(2)11(16)17-13(3,7-20(12,18)19)10-8(14)5-4-6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17)/t13-/m0/s1 UHMFOHSPVDPZQU-ZDUSSCGKSA-N 259236 US9499502, Table A: Entry 11 Beta-secretase 1 Homo sapiens 1300 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095185 350083934 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451563 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(N)c1F InChI=1S/C13H17F2N3O2S/c1-12(2)11(17)18-13(3,6-21(12,19)20)9-7(14)4-5-8(16)10(9)15/h4-5H,6,16H2,1-3H3,(H2,17,18)/t13-/m0/s1 IRNQRCFJTGZSBQ-ZDUSSCGKSA-N 259237 US9499502, Table A: Entry 13 Beta-secretase 1 Homo sapiens 3600 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095188 350083935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451564 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(F)c1F InChI=1S/C13H15F3N2O2S/c1-12(2)11(17)18-13(3,6-21(12,19)20)9-7(14)4-5-8(15)10(9)16/h4-5H,6H2,1-3H3,(H2,17,18)/t13-/m0/s1 RIRNSBITCCISLU-ZDUSSCGKSA-N 259238 US9499502, Table A: Entry 14 Beta-secretase 1 Homo sapiens 2400 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095533 350083936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451565 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(N)ccc1F InChI=1S/C12H17FN4O2S/c1-11(2)10(15)17-12(3,6-20(11,18)19)9-7(13)4-5-8(14)16-9/h4-5H,6H2,1-3H3,(H2,14,16)(H2,15,17)/t12-/m0/s1 DCJNEELRLJWWNF-LBPRGKRZSA-N 259239 US9499502, Table A: Entry 20 Beta-secretase 1 Homo sapiens 6200 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095532 350083937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451566 CC(C)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)ccc1F InChI=1S/C15H22FN3O2S/c1-9(2)15(4)13(18)19-14(3,8-22(15,20)21)11-7-10(17)5-6-12(11)16/h5-7,9H,8,17H2,1-4H3,(H2,18,19)/t14-,15-/m0/s1 ASLNFVWKKHRNQF-GJZGRUSLSA-N 259240 US9499502, Table A: Entry 27 Beta-secretase 1 Homo sapiens 4800 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095214 350083938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451567 CC(C)[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)ccc1F InChI=1S/C15H22FN3O2S/c1-9(2)15(4)13(18)19-14(3,8-22(15,20)21)11-7-10(17)5-6-12(11)16/h5-7,9H,8,17H2,1-4H3,(H2,18,19)/t14-,15+/m0/s1 ASLNFVWKKHRNQF-LSDHHAIUSA-N 259241 US9499502, Table A: Entry 28 Beta-secretase 1 Homo sapiens 7300 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095212 350083939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451568 C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1cc(N)ccc1F InChI=1S/C14H17F4N3O2S/c1-12(9-5-8(19)3-4-10(9)15)7-24(22,23)13(2,11(20)21-12)6-14(16,17)18/h3-5H,6-7,19H2,1-2H3,(H2,20,21)/t12-,13-/m0/s1 AEVCDHUWLDCDCO-STQMWFEESA-N 259242 US9499502, Table A: Entry 35 Beta-secretase 1 Homo sapiens 3000 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095222 350083940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451569 C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C16H22FN3O2S/c1-15(12-8-11(18)6-7-13(12)17)9-23(21,22)16(2,14(19)20-15)10-4-3-5-10/h6-8,10H,3-5,9,18H2,1-2H3,(H2,19,20)/t15-,16-/m0/s1 UTUTUBQKAQZPDF-HOTGVXAUSA-N 259243 US9499502, Table A: Entry 39 Beta-secretase 1 Homo sapiens 1700 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095224 350083941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451570 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C16H22FN3O2S/c1-15(12-7-11(18)5-6-13(12)17)9-23(21,22)16(2,14(19)20-15)8-10-3-4-10/h5-7,10H,3-4,8-9,18H2,1-2H3,(H2,19,20)/t15-,16-/m0/s1 MGOIGGZKEINOPW-HOTGVXAUSA-N 259244 US9499502, Table A: Entry 47 Beta-secretase 1 Homo sapiens 1800 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095196 350083942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451571 C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C17H24FN3O3S/c1-16(13-9-12(19)3-4-14(13)18)10-25(22,23)17(2,15(20)21-16)11-5-7-24-8-6-11/h3-4,9,11H,5-8,10,19H2,1-2H3,(H2,20,21)/t16-,17-/m0/s1 ZIZKAYFYVRHAAE-IRXDYDNUSA-N 259245 US9499502, Table A: Entry 50 Beta-secretase 1 Homo sapiens 500 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095194 350083943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451572 C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(N)ccc1F InChI=1S/C18H26FN3O3S/c1-17(14-9-13(20)3-4-15(14)19)11-26(23,24)18(2,16(21)22-17)10-12-5-7-25-8-6-12/h3-4,9,12H,5-8,10-11,20H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1 FQSWXNKSCZCYBW-ROUUACIJSA-N 259246 US9499502, Table A: Entry 53 Beta-secretase 1 Homo sapiens 1300 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095198 350083944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451573 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(N)ccc1F InChI=1S/C18H19F2N3O2S/c1-17(14-9-13(21)6-7-15(14)20)10-26(24,25)18(2,16(22)23-17)11-4-3-5-12(19)8-11/h3-9H,10,21H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 RLLHTXUBBDTSAX-ROUUACIJSA-N 259247 US9499502, Table A: Entry 60 Beta-secretase 1 Homo sapiens 1100 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095147 350083945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451574 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1cc(ccc1F)[N+]([O-])=O InChI=1S/C19H17F4N3O4S/c1-17(14-9-13(26(27)28)6-7-15(14)20)10-31(29,30)18(2,16(24)25-17)11-4-3-5-12(8-11)19(21,22)23/h3-9H,10H2,1-2H3,(H2,24,25)/t17-,18-/m0/s1 OKDPMVFWWHMBJV-ROUUACIJSA-N 259248 US9499502, Table A: Entry 66 Beta-secretase 1 Homo sapiens 600 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095137 350083946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451575 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1cc(N)ccc1F InChI=1S/C19H19F4N3O2S/c1-17(14-9-13(24)6-7-15(14)20)10-29(27,28)18(2,16(25)26-17)11-4-3-5-12(8-11)19(21,22)23/h3-9H,10,24H2,1-2H3,(H2,25,26)/t17-,18-/m0/s1 VOFOYONCBAPCFX-ROUUACIJSA-N 259249 US9499502, Table A: Entry 68 Beta-secretase 1 Homo sapiens 1400 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095303 350083947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451576 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(N)ccc1F InChI=1S/C18H18F4N4O2S/c1-16(12-8-11(23)3-4-13(12)19)9-29(27,28)17(2,15(24)26-16)14-7-10(5-6-25-14)18(20,21)22/h3-8H,9,23H2,1-2H3,(H2,24,26)/t16-,17-/m0/s1 DUABZLBQZWECTR-IRXDYDNUSA-N 259250 US9499502, Table A: Entry 72::US9499502, Table A: Entry 73 Beta-secretase 1 Homo sapiens 1400 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095234 350083948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451577 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(N)ccc1F InChI=1S/C18H18F4N4O2S/c1-16(12-8-11(23)3-4-13(12)19)9-29(27,28)17(2,15(24)26-16)14-7-10(5-6-25-14)18(20,21)22/h3-8H,9,23H2,1-2H3,(H2,24,26)/t16-,17-/m0/s1 DUABZLBQZWECTR-IRXDYDNUSA-N 259250 US9499502, Table A: Entry 72::US9499502, Table A: Entry 73 Beta-secretase 1 Homo sapiens 4600 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095234 350083948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451578 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(N)ccc1F InChI=1S/C17H19FN4O2S/c1-16(12-9-11(19)6-7-13(12)18)10-25(23,24)17(2,15(20)22-16)14-5-3-4-8-21-14/h3-9H,10,19H2,1-2H3,(H2,20,22)/t16-,17-/m0/s1 SBGZFDSPMSADCQ-IRXDYDNUSA-N 259252 US9499502, Table A: Entry 76 Beta-secretase 1 Homo sapiens 6600 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095252 350083949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451579 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(Br)cc1Cl InChI=1S/C11H14BrClN2O2S2/c1-10(2)9(14)15-11(3,5-19(10,16)17)8-6(13)4-7(12)18-8/h4H,5H2,1-3H3,(H2,14,15)/t11-/m0/s1 VHTOUKSPWCBSRV-NSHDSACASA-N 259253 US9499502, Table A: Entry 78 Beta-secretase 1 Homo sapiens 1500 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562259 350083950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451580 C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(Br)cc1F InChI=1S/C12H13BrF4N2O2S2/c1-10(8-6(14)3-7(13)22-8)5-23(20,21)11(2,9(18)19-10)4-12(15,16)17/h3H,4-5H2,1-2H3,(H2,18,19)/t10-,11-/m0/s1 YAKLFPOGXMYXCU-QWRGUYRKSA-N 259254 US9499502, Table A: Entry 81 Beta-secretase 1 Homo sapiens 500 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095145 350083951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451581 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(Br)cc1F InChI=1S/C15H15BrFN3O2S2/c1-14(12-9(17)7-11(16)23-12)8-24(21,22)15(2,13(18)20-14)10-5-3-4-6-19-10/h3-7H,8H2,1-2H3,(H2,18,20)/t14-,15-/m0/s1 QGJRGRFFMPLSTL-GJZGRUSLSA-N 259255 US9499502, Table A: Entry 85 Beta-secretase 1 Homo sapiens 1500 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562260 350083952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451582 C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1sc(Br)cc1F InChI=1S/C16H15BrF2N2O2S2/c1-15(13-11(19)7-12(17)24-13)8-25(22,23)16(2,14(20)21-15)9-4-3-5-10(18)6-9/h3-7H,8H2,1-2H3,(H2,20,21)/t15-,16-/m0/s1 KAQDPBVBAANXAP-HOTGVXAUSA-N 259256 US9499502, Table A: Entry 87 Beta-secretase 1 Homo sapiens 600 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095244 350083953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451583 COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(Br)cc1Cl InChI=1S/C13H18BrClN2O4S2/c1-12(10-8(15)4-9(14)22-10)7-23(18,19)13(5-20-2,6-21-3)11(16)17-12/h4H,5-7H2,1-3H3,(H2,16,17)/t12-/m0/s1 UCLNBAQRRPLRQG-LBPRGKRZSA-N 259257 US9499502, Table A: Entry 89 Beta-secretase 1 Homo sapiens 1900 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095241 350083954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 451584 C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(Br)cs1 InChI=1S/C11H15BrN2O2S2/c1-10(2)9(13)14-11(3,6-18(10,15)16)8-4-7(12)5-17-8/h4-5H,6H2,1-3H3,(H2,13,14)/t11-/m0/s1 IXFWAWBNNZPJAJ-NSHDSACASA-N 259258 US9499502, Table A: Entry 92 Beta-secretase 1 Homo sapiens 4700 5 30.00 C US Patent 10.7270/Q2BV7FJJ aid1803644 US9499502 Wu, W; Burnett, DA; Stamford, AW; Cumming, JN; Bennett, CE; Gilbert, EJ; Scott, JD; Yu, Y; Peng, X Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095059 350083955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450272 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24) IENIEGOFAFHDMV-UHFFFAOYSA-N 258266 US9493485, 8-102 Beta-secretase 1 Homo sapiens 69 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744637 374883643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450273 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C20H21N3OS/c1-3-5-14-8-15(11-22-10-14)16-9-17(25-12-16)19(2)13-20(6-4-7-20)24-18(21)23-19/h8-12H,4,6-7,13H2,1-2H3,(H2,21,23) LEMSGJHTNVBLRC-UHFFFAOYSA-N 258267 US9493485, 8-103 Beta-secretase 1 Homo sapiens 30 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744670 374883644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450274 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24)/t20-/m0/s1 IENIEGOFAFHDMV-FQEVSTJZSA-N 258268 US9493485, 8-104 Beta-secretase 1 Homo sapiens 16 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744638 374883645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450275 CC#Cc1cncc(c1)-c1csc(c1)[C@@]1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24)/t20-/m1/s1 IENIEGOFAFHDMV-HXUWFJFHSA-N 258269 US9493485, 8-105 Beta-secretase 1 Homo sapiens 1330 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811070 374883646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450276 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(ccc1F)-c1cncnc1 InChI=1S/C19H21FN4O2/c1-18(11-19(26-17(21)24-18)4-6-25-7-5-19)15-8-13(2-3-16(15)20)14-9-22-12-23-10-14/h2-3,8-10,12H,4-7,11H2,1H3,(H2,21,24) QMRAZGWOELYWAV-UHFFFAOYSA-N 258270 US9493485, 8-106 Beta-secretase 1 Homo sapiens 569 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811604 374883647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450277 CCCn1cc(cn1)-c1ccc(F)c(c1)C1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H27FN4O2/c1-3-8-26-13-16(12-24-26)15-4-5-18(22)17(11-15)20(2)14-21(28-19(23)25-20)6-9-27-10-7-21/h4-5,11-13H,3,6-10,14H2,1-2H3,(H2,23,25) DMXAPFXMNSQMBN-UHFFFAOYSA-N 258271 US9493485, 8-107 Beta-secretase 1 Homo sapiens 1677 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810106 374883648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450278 CC#Cc1cncc(c1)-c1cc(sc1C)[C@]1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C22H25N3O2S/c1-4-5-16-10-17(13-24-12-16)18-11-19(28-15(18)2)21(3)14-22(27-20(23)25-21)6-8-26-9-7-22/h10-13H,6-9,14H2,1-3H3,(H2,23,25)/t21-/m0/s1 KFRODYATXDEEIY-NRFANRHFSA-N 258272 US9493485, 8-108 Beta-secretase 1 Homo sapiens 17.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744425 374883649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450279 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 InChI=1S/C22H23F2N3OS/c1-3-4-15-9-16(12-26-11-15)17-10-18(29-13-17)20(2)14-21(28-19(25)27-20)5-7-22(23,24)8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,25,27) ZSHQGPMKXVXTGN-UHFFFAOYSA-N 258273 US9493485, 8-109 Beta-secretase 1 Homo sapiens 68 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744641 374883650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450280 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 InChI=1S/C22H23F2N3OS/c1-3-4-15-9-16(12-26-11-15)17-10-18(29-13-17)20(2)14-21(28-19(25)27-20)5-7-22(23,24)8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,25,27)/t20-/m0/s1 ZSHQGPMKXVXTGN-FQEVSTJZSA-N 258274 US9493485, 8-110 Beta-secretase 1 Homo sapiens 26 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744642 374883651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450281 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C22H22FN3O/c1-3-5-15-10-17(13-25-12-15)16-6-7-19(23)18(11-16)21(2)14-22(8-4-9-22)27-20(24)26-21/h6-7,10-13H,4,8-9,14H2,1-2H3,(H2,24,26)/t21-/m0/s1 CBEJGKXHBBTFCC-NRFANRHFSA-N 258275 US9493485, 8-111 Beta-secretase 1 Homo sapiens 88 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810100 374883652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450282 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(COC2)OC(N)=N1 InChI=1S/C19H19N3O2S/c1-3-4-13-5-14(8-21-7-13)15-6-16(25-9-15)18(2)10-19(11-23-12-19)24-17(20)22-18/h5-9H,10-12H2,1-2H3,(H2,20,22) ZIVIMYVUXCORJB-UHFFFAOYSA-N 258276 US9493485, 8-112 Beta-secretase 1 Homo sapiens 17 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809521 374883653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450283 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)SC(N)=N1 InChI=1S/C21H23N3OS2/c1-3-4-15-9-16(12-23-11-15)17-10-18(26-13-17)20(2)14-21(27-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24) XJNRSWJNEVQPTB-UHFFFAOYSA-N 258277 US9493485, 8-113 Beta-secretase 1 Homo sapiens <7 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744746 374883654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450284 CC#Cc1cncc(c1)-c1csc(c1)C1(C)N=C(N)OC2(CCOCC2)C1(F)F InChI=1S/C21H21F2N3O2S/c1-3-4-14-9-15(12-25-11-14)16-10-17(29-13-16)19(2)21(22,23)20(28-18(24)26-19)5-7-27-8-6-20/h9-13H,5-8H2,1-2H3,(H2,24,26) FTGNQMRAHOFUBC-UHFFFAOYSA-N 258278 US9493485, 8-114 Beta-secretase 1 Homo sapiens 220.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811292 374883655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450285 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) NDXPUJMEQANHCF-UHFFFAOYSA-N 258279 US9493485, 9-120 Beta-secretase 1 Homo sapiens 19 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744939 374883656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450286 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) OLJSZTMAURBGCT-UHFFFAOYSA-N 258280 US9493485, 9-121 Beta-secretase 1 Homo sapiens 9 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809703 374883657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450287 C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 OLJSZTMAURBGCT-FQEVSTJZSA-N 258281 US9493485, 9-122 Beta-secretase 1 Homo sapiens 12 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811242 374883658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450288 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H22F4N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 SFEWUCSGCBOCLB-FQEVSTJZSA-N 258282 US9493485, 9-123 Beta-secretase 1 Homo sapiens 8.7 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744894 374883659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450289 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H22ClF3N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 VMUQVOVWLSNPNK-FQEVSTJZSA-N 258283 US9493485, 9-124 Beta-secretase 1 Homo sapiens 4.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744393 374883660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450290 CC1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27) FYZRXDFPDBLUDS-UHFFFAOYSA-N 258284 US9493485, 9-125 Beta-secretase 1 Homo sapiens 29 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78166790 374883661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450291 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 FYZRXDFPDBLUDS-IBGZPJMESA-N 258285 US9493485, 9-126 Beta-secretase 1 Homo sapiens 11 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744709 374883662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450292 C[C@@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m1/s1 FYZRXDFPDBLUDS-LJQANCHMSA-N 258286 US9493485, 9-127 Beta-secretase 1 Homo sapiens 1306 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809502 374883663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450293 C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 NDXPUJMEQANHCF-FQEVSTJZSA-N 258287 US9493485, 9-128 Beta-secretase 1 Homo sapiens 4 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744940 374883664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450294 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 RFDHEAKYCJBLFV-IBGZPJMESA-N 258288 US9493485, 9-129 Beta-secretase 1 Homo sapiens 8.3 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809925 374883665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450295 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20FN5O2/c1-20(12-21(7-2-8-21)29-19(24)27-20)15-9-14(4-5-16(15)22)26-18(28)17-6-3-13(10-23)11-25-17/h3-6,9,11H,2,7-8,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 STFHLONUUJYDLD-FQEVSTJZSA-N 258289 US9493485, 9-130 Beta-secretase 1 Homo sapiens 6 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809517 374883666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450296 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C20H19ClF2N4O2/c1-19(10-20(5-2-6-20)29-18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 MYVNXXFZPZMOFC-IBGZPJMESA-N 258290 US9493485, 9-131 Beta-secretase 1 Homo sapiens 5.7 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809530 374883667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450297 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C23H22F6N4O2/c1-20(12-21(35-19(30)33-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)32-18(34)17-5-2-13(11-31-17)23(27,28)29/h2-5,10-11H,6-9,12H2,1H3,(H2,30,33)(H,32,34)/t20-/m0/s1 LDVLXRCSXITKMQ-FQEVSTJZSA-N 258291 US9493485, 9-132 Beta-secretase 1 Homo sapiens 6 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809705 374883668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450298 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C22H21ClF4N4O2/c1-20(11-21(33-19(28)31-20)4-6-22(26,27)7-5-21)14-9-13(2-3-15(14)24)30-18(32)17-16(25)8-12(23)10-29-17/h2-3,8-10H,4-7,11H2,1H3,(H2,28,31)(H,30,32)/t20-/m0/s1 HRWNLDZIHXSYEL-FQEVSTJZSA-N 258292 US9493485, 9-133 Beta-secretase 1 Homo sapiens 9 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810276 374883669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450299 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C20H24F3N3O2/c1-18(11-19(28-17(24)26-18)6-8-20(22,23)9-7-19)14-10-13(4-5-15(14)21)25-16(27)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H2,24,26)(H,25,27)/t18-/m0/s1 XCPISCAUTOOVPQ-SFHVURJKSA-N 258293 US9493485, 9-134 Beta-secretase 1 Homo sapiens 801 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809582 374883670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450300 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C20H22FN5O3/c1-19(11-20(6-3-7-20)29-18(22)26-19)13-8-12(4-5-14(13)21)25-17(27)15-9-24-16(28-2)10-23-15/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1 RCMAWWVBBZRVDN-IBGZPJMESA-N 258294 US9493485, 9-135 Beta-secretase 1 Homo sapiens 10.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809458 374883671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450301 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C22H22BrF3N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 GOEDFUNVQLUUNN-FQEVSTJZSA-N 258295 US9493485, 9-136 Beta-secretase 1 Homo sapiens 7 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809840 374883672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450302 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F InChI=1S/C25H27F3N4O2/c1-23(14-24(34-22(29)32-23)8-10-25(27,28)11-9-24)18-12-17(5-6-19(18)26)31-21(33)20-7-4-16(13-30-20)15-2-3-15/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H2,29,32)(H,31,33)/t23-/m0/s1 SRUBXASONBMVNN-QHCPKHFHSA-N 258296 US9493485, 9-137 Beta-secretase 1 Homo sapiens 17 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809590 374883673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450303 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C19H21FN4O3/c1-11-22-15(9-26-11)16(25)23-12-4-5-14(20)13(8-12)18(2)10-19(6-3-7-19)27-17(21)24-18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZIDWPGNIRCPZRE-SFHVURJKSA-N 258297 US9493485, 9-138 Beta-secretase 1 Homo sapiens 11 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809426 374883674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450304 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H22FN5O3/c1-21(13-22(31-20(25)28-21)6-8-30-9-7-22)16-10-15(3-4-17(16)23)27-19(29)18-5-2-14(11-24)12-26-18/h2-5,10,12H,6-9,13H2,1H3,(H2,25,28)(H,27,29) MFBURPNLOUCMDK-UHFFFAOYSA-N 258298 US9493485, 9-139 Beta-secretase 1 Homo sapiens 9 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744424 374883675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450305 COc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C22H23ClFN3O3/c1-21(12-22(8-3-9-22)30-20(25)27-21)16-11-14(5-7-17(16)24)26-19(28)15-6-4-13(23)10-18(15)29-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,25,27)(H,26,28)/t21-/m0/s1 MZAMAFVHYGFSRH-NRFANRHFSA-N 258299 US9493485, 9-140 Beta-secretase 1 Homo sapiens 101 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809452 374883676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450306 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C21H21ClFN3O2/c1-20(12-21(9-2-10-21)28-19(24)26-20)16-11-15(7-8-17(16)23)25-18(27)13-3-5-14(22)6-4-13/h3-8,11H,2,9-10,12H2,1H3,(H2,24,26)(H,25,27)/t20-/m0/s1 QJWBKKAEVDFVBP-FQEVSTJZSA-N 258300 US9493485, 9-141 Beta-secretase 1 Homo sapiens 17.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809953 374883677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450307 CC1(CC2(CCCCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4OS/c1-21(13-22(30-20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29) OMPMOZDPEPBZRX-UHFFFAOYSA-N 258301 US9493485, 9-142 Beta-secretase 1 Homo sapiens 6 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744665 374883678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450308 C[C@@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m1/s1 YQDYJAFKEDTYIX-LJQANCHMSA-N 258302 US9493485, 9-143 Beta-secretase 1 Homo sapiens >7500 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809722 374883679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450309 C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 YQDYJAFKEDTYIX-IBGZPJMESA-N 258303 US9493485, 9-144 Beta-secretase 1 Homo sapiens 8 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810132 374883680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450310 C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 IJQOMWRQUXBTOV-IBGZPJMESA-N 258304 US9493485, 9-145 Beta-secretase 1 Homo sapiens 4.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744396 374883681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450311 C[C@]1(CC2(COC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4O2S/c1-18(8-19(9-27-10-19)28-17(22)25-18)13-6-12(3-4-14(13)21)24-16(26)15-5-2-11(20)7-23-15/h2-7H,8-10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 ZBEMTFMMGYRMGE-SFHVURJKSA-N 258305 US9493485, 9-146 Beta-secretase 1 Homo sapiens 9.8 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744780 374883682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450312 CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) KVRCNBWUIVTIAP-UHFFFAOYSA-N 258306 US9493485, 9-147 Beta-secretase 1 Homo sapiens 8 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744938 374883683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450313 C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 KVRCNBWUIVTIAP-FQEVSTJZSA-N 258307 US9493485, 9-148 Beta-secretase 1 Homo sapiens 6.8 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71726543 374883684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450314 C[C@@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m1/s1 KVRCNBWUIVTIAP-HXUWFJFHSA-N 258308 US9493485, 9-149 Beta-secretase 1 Homo sapiens >1000 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809569 374883685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450315 CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) ZWZJMWYISQSTIX-UHFFFAOYSA-N 258309 US9493485, 9-150 Beta-secretase 1 Homo sapiens 9 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744394 374883686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450316 C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 ZWZJMWYISQSTIX-FQEVSTJZSA-N 258310 US9493485, 9-151 Beta-secretase 1 Homo sapiens 9.7 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744395 374883687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450317 C[C@]1(CC2(CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O2/c1-18(10-19(6-7-19)27-17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 PRZOLWGBDVBQDZ-SFHVURJKSA-N 258313 US9493485, 9-154 Beta-secretase 1 Homo sapiens 7.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809684 374883690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450318 CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30) PFDHUXDXZOAIGY-UHFFFAOYSA-N 258314 US9493485, 9-155 Beta-secretase 1 Homo sapiens 31 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744422 374883691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450319 C[C@]1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30)/t19-/m0/s1 PFDHUXDXZOAIGY-IBGZPJMESA-N 258315 US9493485, 9-156 Beta-secretase 1 Homo sapiens >30000 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811684 374883692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450320 C[C@@]1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1 PFDHUXDXZOAIGY-LJQANCHMSA-N 258316 US9493485, 9-157 Beta-secretase 1 Homo sapiens 45 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744423 374883693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450321 CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF3N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30) ICLVFRMEZOPZEF-UHFFFAOYSA-N 258317 US9493485, 9-158 Beta-secretase 1 Homo sapiens 15 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810462 374883694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450322 CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H18F4N4O2/c1-18(20(23,24)19(7-2-8-19)30-17(25)28-18)13-9-12(4-5-14(13)22)27-16(29)15-6-3-11(21)10-26-15/h3-6,9-10H,2,7-8H2,1H3,(H2,25,28)(H,27,29) UTHJWWGOXFMAOM-UHFFFAOYSA-N 258318 US9493485, 9-159 Beta-secretase 1 Homo sapiens 40 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744824 374883695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450323 CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF3N4O2/c1-18(20(23,24)19(7-2-8-19)30-17(25)28-18)13-9-12(4-5-14(13)22)27-16(29)15-6-3-11(21)10-26-15/h3-6,9-10H,2,7-8H2,1H3,(H2,25,28)(H,27,29) CUMPDZBALDTLJS-UHFFFAOYSA-N 258319 US9493485, 9-160 Beta-secretase 1 Homo sapiens 19.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810311 374883696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450324 CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30) JJZKNPLOOQSUEC-UHFFFAOYSA-N 258320 US9493485, 9-161 Beta-secretase 1 Homo sapiens 13.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810243 374883697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450325 C[C@@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1 JJZKNPLOOQSUEC-LJQANCHMSA-N 258321 US9493485, 9-162 Beta-secretase 1 Homo sapiens 15 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810255 374883698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450326 C[C@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30)/t19-/m0/s1 JJZKNPLOOQSUEC-IBGZPJMESA-N 258322 US9493485, 9-163 Beta-secretase 1 Homo sapiens 13400 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810309 374883699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450327 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F InChI=1S/C20H20F3N5O3/c1-18(20(22,23)19(6-3-7-19)31-17(24)28-18)12-8-11(4-5-13(12)21)27-16(29)14-9-26-15(30-2)10-25-14/h4-5,8-10H,3,6-7H2,1-2H3,(H2,24,28)(H,27,29) FARQUNPWROAOKH-UHFFFAOYSA-N 258323 US9493485, 9-164 Beta-secretase 1 Homo sapiens 27.5 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810325 374883700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450328 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F InChI=1S/C19H19F3N4O3/c1-10-24-14(9-28-10)15(27)25-11-4-5-13(20)12(8-11)17(2)19(21,22)18(6-3-7-18)29-16(23)26-17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,23,26)(H,25,27) PQQKYZNYRAUDFD-UHFFFAOYSA-N 258324 US9493485, 9-165 Beta-secretase 1 Homo sapiens 34 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809585 374883701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450329 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NCc2ccc(F)cn2)ccc1F InChI=1S/C20H22F2N4O/c1-19(12-20(7-2-8-20)27-18(23)26-19)16-9-14(5-6-17(16)22)25-11-15-4-3-13(21)10-24-15/h3-6,9-10,25H,2,7-8,11-12H2,1H3,(H2,23,26)/t19-/m0/s1 PJHAUNSCYRODFO-IBGZPJMESA-N 258325 US9493485, 10-169 Beta-secretase 1 Homo sapiens 3720 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810253 374883702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450330 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(\C=C\c2ccc(F)cc2)ccc1F InChI=1S/C22H22F2N2O/c1-21(14-22(11-2-12-22)27-20(25)26-21)18-13-16(7-10-19(18)24)4-3-15-5-8-17(23)9-6-15/h3-10,13H,2,11-12,14H2,1H3,(H2,25,26)/b4-3+/t21-/m0/s1 PXTQCLIDWWNRHL-SHTLVRLNSA-N 258326 US9493485, 12-177 Beta-secretase 1 Homo sapiens 1160 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809551 374883703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450331 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(\C=C\c2ccc(F)cc2)ccc1F InChI=1S/C24H24F4N2O/c1-22(15-23(31-21(29)30-22)10-12-24(27,28)13-11-23)19-14-17(6-9-20(19)26)3-2-16-4-7-18(25)8-5-16/h2-9,14H,10-13,15H2,1H3,(H2,29,30)/b3-2+/t22-/m0/s1 ZYYNOJVIIKFFMO-ZZTDINLMSA-N 258327 US9493485, 12-178 Beta-secretase 1 Homo sapiens 1960 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810293 374883704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450332 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(\C=C\c2ccc(Cl)cc2)ccc1F InChI=1S/C22H22ClFN2O/c1-21(14-22(11-2-12-22)27-20(25)26-21)18-13-16(7-10-19(18)24)4-3-15-5-8-17(23)9-6-15/h3-10,13H,2,11-12,14H2,1H3,(H2,25,26)/b4-3+/t21-/m0/s1 FZYKTQJILMMPKF-SHTLVRLNSA-N 258328 US9493485, 12-179 Beta-secretase 1 Homo sapiens 510 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810121 374883705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450333 COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 InChI=1S/C21H25FN4O2S/c1-20(13-21(29-19(23)26-20)7-10-28-11-8-21)15-12-14(5-6-16(15)22)25-18-17(27-2)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,23,26)(H,24,25)/t20-/m0/s1 PPTZAPQAZMYOMX-FQEVSTJZSA-N 258329 US9493485, 13-182 Beta-secretase 1 Homo sapiens 2 7 US Patent 10.7270/Q25B01DD aid1803624 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744398 374883706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450334 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24) IENIEGOFAFHDMV-UHFFFAOYSA-N 258266 US9493485, 8-102 Beta-secretase 1 Homo sapiens 2290 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744637 374883643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450335 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C20H21N3OS/c1-3-5-14-8-15(11-22-10-14)16-9-17(25-12-16)19(2)13-20(6-4-7-20)24-18(21)23-19/h8-12H,4,6-7,13H2,1-2H3,(H2,21,23) LEMSGJHTNVBLRC-UHFFFAOYSA-N 258267 US9493485, 8-103 Beta-secretase 1 Homo sapiens 1360 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744670 374883644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450336 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24)/t20-/m0/s1 IENIEGOFAFHDMV-FQEVSTJZSA-N 258268 US9493485, 8-104 Beta-secretase 1 Homo sapiens 406 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744638 374883645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450337 CC#Cc1cncc(c1)-c1csc(c1)[C@@]1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24)/t20-/m1/s1 IENIEGOFAFHDMV-HXUWFJFHSA-N 258269 US9493485, 8-105 Beta-secretase 1 Homo sapiens 84900 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811070 374883646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450338 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(ccc1F)-c1cncnc1 InChI=1S/C19H21FN4O2/c1-18(11-19(26-17(21)24-18)4-6-25-7-5-19)15-8-13(2-3-16(15)20)14-9-22-12-23-10-14/h2-3,8-10,12H,4-7,11H2,1H3,(H2,21,24) QMRAZGWOELYWAV-UHFFFAOYSA-N 258270 US9493485, 8-106 Beta-secretase 1 Homo sapiens 12600 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811604 374883647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450339 CCCn1cc(cn1)-c1ccc(F)c(c1)C1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C21H27FN4O2/c1-3-8-26-13-16(12-24-26)15-4-5-18(22)17(11-15)20(2)14-21(28-19(23)25-20)6-9-27-10-7-21/h4-5,11-13H,3,6-10,14H2,1-2H3,(H2,23,25) DMXAPFXMNSQMBN-UHFFFAOYSA-N 258271 US9493485, 8-107 Beta-secretase 1 Homo sapiens 34100 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810106 374883648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450340 CC#Cc1cncc(c1)-c1cc(sc1C)[C@]1(C)CC2(CCOCC2)OC(N)=N1 InChI=1S/C22H25N3O2S/c1-4-5-16-10-17(13-24-12-16)18-11-19(28-15(18)2)21(3)14-22(27-20(23)25-21)6-8-26-9-7-22/h10-13H,6-9,14H2,1-3H3,(H2,23,25)/t21-/m0/s1 KFRODYATXDEEIY-NRFANRHFSA-N 258272 US9493485, 8-108 Beta-secretase 1 Homo sapiens 1120 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744425 374883649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450341 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 InChI=1S/C22H23F2N3OS/c1-3-4-15-9-16(12-26-11-15)17-10-18(29-13-17)20(2)14-21(28-19(25)27-20)5-7-22(23,24)8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,25,27) ZSHQGPMKXVXTGN-UHFFFAOYSA-N 258273 US9493485, 8-109 Beta-secretase 1 Homo sapiens 1160 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744641 374883650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450342 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 InChI=1S/C22H23F2N3OS/c1-3-4-15-9-16(12-26-11-15)17-10-18(29-13-17)20(2)14-21(28-19(25)27-20)5-7-22(23,24)8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,25,27)/t20-/m0/s1 ZSHQGPMKXVXTGN-FQEVSTJZSA-N 258274 US9493485, 8-110 Beta-secretase 1 Homo sapiens 960 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744642 374883651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450343 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C22H22FN3O/c1-3-5-15-10-17(13-25-12-15)16-6-7-19(23)18(11-16)21(2)14-22(8-4-9-22)27-20(24)26-21/h6-7,10-13H,4,8-9,14H2,1-2H3,(H2,24,26)/t21-/m0/s1 CBEJGKXHBBTFCC-NRFANRHFSA-N 258275 US9493485, 8-111 Beta-secretase 1 Homo sapiens 3510 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810100 374883652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450344 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(COC2)OC(N)=N1 InChI=1S/C19H19N3O2S/c1-3-4-13-5-14(8-21-7-13)15-6-16(25-9-15)18(2)10-19(11-23-12-19)24-17(20)22-18/h5-9H,10-12H2,1-2H3,(H2,20,22) ZIVIMYVUXCORJB-UHFFFAOYSA-N 258276 US9493485, 8-112 Beta-secretase 1 Homo sapiens 227 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809521 374883653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450345 CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)SC(N)=N1 InChI=1S/C21H23N3OS2/c1-3-4-15-9-16(12-23-11-15)17-10-18(26-13-17)20(2)14-21(27-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24) XJNRSWJNEVQPTB-UHFFFAOYSA-N 258277 US9493485, 8-113 Beta-secretase 1 Homo sapiens 160 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744746 374883654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450346 CC#Cc1cncc(c1)-c1csc(c1)C1(C)N=C(N)OC2(CCOCC2)C1(F)F InChI=1S/C21H21F2N3O2S/c1-3-4-14-9-15(12-25-11-14)16-10-17(29-13-16)19(2)21(22,23)20(28-18(24)26-19)5-7-27-8-6-20/h9-13H,5-8H2,1-2H3,(H2,24,26) FTGNQMRAHOFUBC-UHFFFAOYSA-N 258278 US9493485, 8-114 Beta-secretase 1 Homo sapiens 626 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811292 374883655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450347 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) NDXPUJMEQANHCF-UHFFFAOYSA-N 258279 US9493485, 9-120 Beta-secretase 1 Homo sapiens 282 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744939 374883656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450348 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) OLJSZTMAURBGCT-UHFFFAOYSA-N 258280 US9493485, 9-121 Beta-secretase 1 Homo sapiens 73 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809703 374883657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450349 C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 OLJSZTMAURBGCT-FQEVSTJZSA-N 258281 US9493485, 9-122 Beta-secretase 1 Homo sapiens 59 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811242 374883658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450350 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H22F4N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 SFEWUCSGCBOCLB-FQEVSTJZSA-N 258282 US9493485, 9-123 Beta-secretase 1 Homo sapiens 270 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744894 374883659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450351 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H22ClF3N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 VMUQVOVWLSNPNK-FQEVSTJZSA-N 258283 US9493485, 9-124 Beta-secretase 1 Homo sapiens 60 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744393 374883660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450352 CC1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27) FYZRXDFPDBLUDS-UHFFFAOYSA-N 258284 US9493485, 9-125 Beta-secretase 1 Homo sapiens 366 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78166790 374883661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450353 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 FYZRXDFPDBLUDS-IBGZPJMESA-N 258285 US9493485, 9-126 Beta-secretase 1 Homo sapiens 321 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744709 374883662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450354 C[C@@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m1/s1 FYZRXDFPDBLUDS-LJQANCHMSA-N 258286 US9493485, 9-127 Beta-secretase 1 Homo sapiens 7440 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809502 374883663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450355 C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 NDXPUJMEQANHCF-FQEVSTJZSA-N 258287 US9493485, 9-128 Beta-secretase 1 Homo sapiens 112 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744940 374883664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450356 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 RFDHEAKYCJBLFV-IBGZPJMESA-N 258288 US9493485, 9-129 Beta-secretase 1 Homo sapiens 107 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809925 374883665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450357 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20FN5O2/c1-20(12-21(7-2-8-21)29-19(24)27-20)15-9-14(4-5-16(15)22)26-18(28)17-6-3-13(10-23)11-25-17/h3-6,9,11H,2,7-8,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 STFHLONUUJYDLD-FQEVSTJZSA-N 258289 US9493485, 9-130 Beta-secretase 1 Homo sapiens 46 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809517 374883666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450358 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C20H19ClF2N4O2/c1-19(10-20(5-2-6-20)29-18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 MYVNXXFZPZMOFC-IBGZPJMESA-N 258290 US9493485, 9-131 Beta-secretase 1 Homo sapiens 87 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809530 374883667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450359 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C22H21ClF4N4O2/c1-20(11-21(33-19(28)31-20)4-6-22(26,27)7-5-21)14-9-13(2-3-15(14)24)30-18(32)17-16(25)8-12(23)10-29-17/h2-3,8-10H,4-7,11H2,1H3,(H2,28,31)(H,30,32)/t20-/m0/s1 HRWNLDZIHXSYEL-FQEVSTJZSA-N 258292 US9493485, 9-133 Beta-secretase 1 Homo sapiens 16 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810276 374883669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450360 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C20H24F3N3O2/c1-18(11-19(28-17(24)26-18)6-8-20(22,23)9-7-19)14-10-13(4-5-15(14)21)25-16(27)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H2,24,26)(H,25,27)/t18-/m0/s1 XCPISCAUTOOVPQ-SFHVURJKSA-N 258293 US9493485, 9-134 Beta-secretase 1 Homo sapiens 2330 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809582 374883670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450361 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C20H22FN5O3/c1-19(11-20(6-3-7-20)29-18(22)26-19)13-8-12(4-5-14(13)21)25-17(27)15-9-24-16(28-2)10-23-15/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1 RCMAWWVBBZRVDN-IBGZPJMESA-N 258294 US9493485, 9-135 Beta-secretase 1 Homo sapiens 281 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809458 374883671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450362 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C22H22BrF3N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 GOEDFUNVQLUUNN-FQEVSTJZSA-N 258295 US9493485, 9-136 Beta-secretase 1 Homo sapiens 50 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809840 374883672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450363 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F InChI=1S/C25H27F3N4O2/c1-23(14-24(34-22(29)32-23)8-10-25(27,28)11-9-24)18-12-17(5-6-19(18)26)31-21(33)20-7-4-16(13-30-20)15-2-3-15/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H2,29,32)(H,31,33)/t23-/m0/s1 SRUBXASONBMVNN-QHCPKHFHSA-N 258296 US9493485, 9-137 Beta-secretase 1 Homo sapiens 1830 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809590 374883673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450364 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C19H21FN4O3/c1-11-22-15(9-26-11)16(25)23-12-4-5-14(20)13(8-12)18(2)10-19(6-3-7-19)27-17(21)24-18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZIDWPGNIRCPZRE-SFHVURJKSA-N 258297 US9493485, 9-138 Beta-secretase 1 Homo sapiens 299 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809426 374883674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450365 CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H22FN5O3/c1-21(13-22(31-20(25)28-21)6-8-30-9-7-22)16-10-15(3-4-17(16)23)27-19(29)18-5-2-14(11-24)12-26-18/h2-5,10,12H,6-9,13H2,1H3,(H2,25,28)(H,27,29) MFBURPNLOUCMDK-UHFFFAOYSA-N 258298 US9493485, 9-139 Beta-secretase 1 Homo sapiens 48 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744424 374883675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450366 COc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 InChI=1S/C22H23ClFN3O3/c1-21(12-22(8-3-9-22)30-20(25)27-21)16-11-14(5-7-17(16)24)26-19(28)15-6-4-13(23)10-18(15)29-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,25,27)(H,26,28)/t21-/m0/s1 MZAMAFVHYGFSRH-NRFANRHFSA-N 258299 US9493485, 9-140 Beta-secretase 1 Homo sapiens 9110 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809452 374883676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450367 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C21H21ClFN3O2/c1-20(12-21(9-2-10-21)28-19(24)26-20)16-11-15(7-8-17(16)23)25-18(27)13-3-5-14(22)6-4-13/h3-8,11H,2,9-10,12H2,1H3,(H2,24,26)(H,25,27)/t20-/m0/s1 QJWBKKAEVDFVBP-FQEVSTJZSA-N 258300 US9493485, 9-141 Beta-secretase 1 Homo sapiens 839 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809953 374883677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450368 CC1(CC2(CCCCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H24F2N4OS/c1-21(13-22(30-20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29) OMPMOZDPEPBZRX-UHFFFAOYSA-N 258301 US9493485, 9-142 Beta-secretase 1 Homo sapiens 28 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744665 374883678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450369 C[C@@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m1/s1 YQDYJAFKEDTYIX-LJQANCHMSA-N 258302 US9493485, 9-143 Beta-secretase 1 Homo sapiens 51800 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809722 374883679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450370 C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 YQDYJAFKEDTYIX-IBGZPJMESA-N 258303 US9493485, 9-144 Beta-secretase 1 Homo sapiens 27 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810132 374883680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450371 C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 IJQOMWRQUXBTOV-IBGZPJMESA-N 258304 US9493485, 9-145 Beta-secretase 1 Homo sapiens 1.9 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744396 374883681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450372 C[C@]1(CC2(COC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4O2S/c1-18(8-19(9-27-10-19)28-17(22)25-18)13-6-12(3-4-14(13)21)24-16(26)15-5-2-11(20)7-23-15/h2-7H,8-10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 ZBEMTFMMGYRMGE-SFHVURJKSA-N 258305 US9493485, 9-146 Beta-secretase 1 Homo sapiens 119 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744780 374883682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450373 CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) KVRCNBWUIVTIAP-UHFFFAOYSA-N 258306 US9493485, 9-147 Beta-secretase 1 Homo sapiens 29 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744938 374883683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450374 C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 KVRCNBWUIVTIAP-FQEVSTJZSA-N 258307 US9493485, 9-148 Beta-secretase 1 Homo sapiens 29 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71726543 374883684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450375 C[C@@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m1/s1 KVRCNBWUIVTIAP-HXUWFJFHSA-N 258308 US9493485, 9-149 Beta-secretase 1 Homo sapiens 8490 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809569 374883685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450376 CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28) ZWZJMWYISQSTIX-UHFFFAOYSA-N 258309 US9493485, 9-150 Beta-secretase 1 Homo sapiens 4 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744394 374883686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450377 C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1 ZWZJMWYISQSTIX-FQEVSTJZSA-N 258310 US9493485, 9-151 Beta-secretase 1 Homo sapiens 5 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744395 374883687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450378 C[C@@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m1/s1 ZWZJMWYISQSTIX-HXUWFJFHSA-N 258311 US9493485, 9-152 Beta-secretase 1 Homo sapiens 1560 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810297 374883688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450379 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 InChI=1S/C21H24FN5O3S/c1-20(12-21(31-19(23)27-20)5-7-30-8-6-21)14-9-13(3-4-15(14)22)26-18(28)16-10-25-17(29-2)11-24-16/h3-4,9-11H,5-8,12H2,1-2H3,(H2,23,27)(H,26,28)/t20-/m0/s1 ZJDNACZRPYKHGK-FQEVSTJZSA-N 258312 US9493485, 9-153 Beta-secretase 1 Homo sapiens 33 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744397 374883689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450380 C[C@]1(CC2(CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O2/c1-18(10-19(6-7-19)27-17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 PRZOLWGBDVBQDZ-SFHVURJKSA-N 258313 US9493485, 9-154 Beta-secretase 1 Homo sapiens 113 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809684 374883690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450381 CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30) PFDHUXDXZOAIGY-UHFFFAOYSA-N 258314 US9493485, 9-155 Beta-secretase 1 Homo sapiens 277 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744422 374883691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450382 C[C@]1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30)/t19-/m0/s1 PFDHUXDXZOAIGY-IBGZPJMESA-N 258315 US9493485, 9-156 Beta-secretase 1 Homo sapiens >30000 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89811684 374883692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450383 C[C@@]1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1 PFDHUXDXZOAIGY-LJQANCHMSA-N 258316 US9493485, 9-157 Beta-secretase 1 Homo sapiens 300 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744423 374883693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450384 CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF3N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30) ICLVFRMEZOPZEF-UHFFFAOYSA-N 258317 US9493485, 9-158 Beta-secretase 1 Homo sapiens 94 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810462 374883694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450385 CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H18F4N4O2/c1-18(20(23,24)19(7-2-8-19)30-17(25)28-18)13-9-12(4-5-14(13)22)27-16(29)15-6-3-11(21)10-26-15/h3-6,9-10H,2,7-8H2,1H3,(H2,25,28)(H,27,29) UTHJWWGOXFMAOM-UHFFFAOYSA-N 258318 US9493485, 9-159 Beta-secretase 1 Homo sapiens 210 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744824 374883695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450386 CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF3N4O2/c1-18(20(23,24)19(7-2-8-19)30-17(25)28-18)13-9-12(4-5-14(13)22)27-16(29)15-6-3-11(21)10-26-15/h3-6,9-10H,2,7-8H2,1H3,(H2,25,28)(H,27,29) CUMPDZBALDTLJS-UHFFFAOYSA-N 258319 US9493485, 9-160 Beta-secretase 1 Homo sapiens 66 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810311 374883696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450387 CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30) JJZKNPLOOQSUEC-UHFFFAOYSA-N 258320 US9493485, 9-161 Beta-secretase 1 Homo sapiens 66 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810243 374883697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450388 C[C@@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1 JJZKNPLOOQSUEC-LJQANCHMSA-N 258321 US9493485, 9-162 Beta-secretase 1 Homo sapiens 40 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810255 374883698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450389 C[C@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30)/t19-/m0/s1 JJZKNPLOOQSUEC-IBGZPJMESA-N 258322 US9493485, 9-163 Beta-secretase 1 Homo sapiens 38100 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810309 374883699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450390 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F InChI=1S/C20H20F3N5O3/c1-18(20(22,23)19(6-3-7-19)31-17(24)28-18)12-8-11(4-5-13(12)21)27-16(29)14-9-26-15(30-2)10-25-14/h4-5,8-10H,3,6-7H2,1-2H3,(H2,24,28)(H,27,29) FARQUNPWROAOKH-UHFFFAOYSA-N 258323 US9493485, 9-164 Beta-secretase 1 Homo sapiens 464 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810325 374883700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450391 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F InChI=1S/C19H19F3N4O3/c1-10-24-14(9-28-10)15(27)25-11-4-5-13(20)12(8-11)17(2)19(21,22)18(6-3-7-18)29-16(23)26-17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,23,26)(H,25,27) PQQKYZNYRAUDFD-UHFFFAOYSA-N 258324 US9493485, 9-165 Beta-secretase 1 Homo sapiens 496 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809585 374883701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450392 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NCc2ccc(F)cn2)ccc1F InChI=1S/C20H22F2N4O/c1-19(12-20(7-2-8-20)27-18(23)26-19)16-9-14(5-6-17(16)22)25-11-15-4-3-13(21)10-24-15/h3-6,9-10,25H,2,7-8,11-12H2,1H3,(H2,23,26)/t19-/m0/s1 PJHAUNSCYRODFO-IBGZPJMESA-N 258325 US9493485, 10-169 Beta-secretase 1 Homo sapiens 179000 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810253 374883702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450393 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(Nc2ncnc3cc(Cl)ccc23)ccc1F InChI=1S/C22H21ClFN5O/c1-21(11-22(7-2-8-22)30-20(25)29-21)16-10-14(4-6-17(16)24)28-19-15-5-3-13(23)9-18(15)26-12-27-19/h3-6,9-10,12H,2,7-8,11H2,1H3,(H2,25,29)(H,26,27,28)/t21-/m0/s1 YQTDBQHMEOODEP-NRFANRHFSA-N 258330 US9493485, 11-173 Beta-secretase 1 Homo sapiens 8550 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810352 374883707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450394 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(\C=C\c2ccc(F)cc2)ccc1F InChI=1S/C22H22F2N2O/c1-21(14-22(11-2-12-22)27-20(25)26-21)18-13-16(7-10-19(18)24)4-3-15-5-8-17(23)9-6-15/h3-10,13H,2,11-12,14H2,1H3,(H2,25,26)/b4-3+/t21-/m0/s1 PXTQCLIDWWNRHL-SHTLVRLNSA-N 258326 US9493485, 12-177 Beta-secretase 1 Homo sapiens 21700 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89809551 374883703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450395 C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(\C=C\c2ccc(F)cc2)ccc1F InChI=1S/C24H24F4N2O/c1-22(15-23(31-21(29)30-22)10-12-24(27,28)13-11-23)19-14-17(6-9-20(19)26)3-2-16-4-7-18(25)8-5-16/h2-9,14H,10-13,15H2,1H3,(H2,29,30)/b3-2+/t22-/m0/s1 ZYYNOJVIIKFFMO-ZZTDINLMSA-N 258327 US9493485, 12-178 Beta-secretase 1 Homo sapiens 13100 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810293 374883704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450396 C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(\C=C\c2ccc(Cl)cc2)ccc1F InChI=1S/C22H22ClFN2O/c1-21(14-22(11-2-12-22)27-20(25)26-21)18-13-16(7-10-19(18)24)4-3-15-5-8-17(23)9-6-15/h3-10,13H,2,11-12,14H2,1H3,(H2,25,26)/b4-3+/t21-/m0/s1 FZYKTQJILMMPKF-SHTLVRLNSA-N 258328 US9493485, 12-179 Beta-secretase 1 Homo sapiens 4640 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89810121 374883705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 450397 COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 InChI=1S/C21H25FN4O2S/c1-20(13-21(29-19(23)26-20)7-10-28-11-8-21)15-12-14(5-6-16(15)22)25-18-17(27-2)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,23,26)(H,24,25)/t20-/m0/s1 PPTZAPQAZMYOMX-FQEVSTJZSA-N 258329 US9493485, 13-182 Beta-secretase 1 Homo sapiens 32 4.5 37.00 C US Patent 10.7270/Q25B01DD aid1803625 US9493485 Xu, Y; Artis, DR; Bowers, S; Hom, RK; Sham, HL; Yuan, S Imago Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=258329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=258329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71744398 374883706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447797 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(Cc3ccccc3)C2)S1(=O)=O InChI=1S/C27H28F2N6O3S/c1-26(21-14-20(9-10-22(21)29)32-24(36)23-11-8-19(28)15-31-23)27(39(37,38)34(2)25(30)33-26)12-13-35(17-27)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,30,33)(H,32,36)/t26-,27?/m1/s1 UCGWTFCDJKLPAQ-AVJYQCBHSA-N 256730 US9489013, 1 Beta-secretase 1 Homo sapiens 3.4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287652 347916532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447798 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCNC2)S1(=O)=O InChI=1S/C20H22F2N6O3S/c1-19(20(7-8-24-11-20)32(30,31)28(2)18(23)27-19)14-9-13(4-5-15(14)22)26-17(29)16-6-3-12(21)10-25-16/h3-6,9-10,24H,7-8,11H2,1-2H3,(H2,23,27)(H,26,29)/t19-,20?/m1/s1 NUXOWSPESJOYSN-FIWHBWSRSA-N 256731 US9489013, 2 Beta-secretase 1 Homo sapiens 19.5 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287653 347916533 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447799 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)S(C)(=O)=O)S1(=O)=O InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21?/m1/s1 MMNYGNJXLCCNNR-VQCQRNETSA-N 256732 US9489013, 3 Beta-secretase 1 Homo sapiens 5 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287654 347916534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447800 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(C)=O)S1(=O)=O InChI=1S/C22H24F2N6O4S/c1-13(31)30-9-8-22(12-30)21(2,28-20(25)29(3)35(22,33)34)16-10-15(5-6-17(16)24)27-19(32)18-7-4-14(23)11-26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,28)(H,27,32)/t21-,22?/m1/s1 KEIKKXYGXIIUCK-ZMFCMNQTSA-N 256733 US9489013, 4 Beta-secretase 1 Homo sapiens 3.7 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287655 347916535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447801 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)C2CC2)S1(=O)=O InChI=1S/C24H26F2N6O4S/c1-23(17-11-16(6-7-18(17)26)29-20(33)19-8-5-15(25)12-28-19)24(37(35,36)31(2)22(27)30-23)9-10-32(13-24)21(34)14-3-4-14/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24?/m1/s1 BNYKBTUCVAJFLG-MIHMCVIASA-N 256734 US9489013, 5 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287656 347916536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447802 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O InChI=1S/C25H28F2N6O4S/c1-24(18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20)25(38(36,37)32(2)23(28)31-24)9-10-33(14-25)21(34)11-15-3-4-15/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1 TUKOIDTVYQNYBI-IKOFQBKESA-N 256735 US9489013, 6 Beta-secretase 1 Homo sapiens 2.7 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287801 347916537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447803 CC(C)CC(=O)N1CCC2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C25H30F2N6O4S/c1-15(2)11-21(34)33-10-9-25(14-33)24(3,31-23(28)32(4)38(25,36)37)18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20/h5-8,12-13,15H,9-11,14H2,1-4H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1 AZXYZHJOEKIZTQ-IKOFQBKESA-N 256736 US9489013, 7 Beta-secretase 1 Homo sapiens 2.8 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287802 347916538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447804 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cscn2)C1 InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/m1/s1 GNJDAAGNXLWPPK-JWQCQUIFSA-N 256737 US9489013, 8 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287803 347916539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447805 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CCOC2)C1 InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26-/m1/s1 GSBBJPLUKMFSQD-MJXMXGAKSA-N 256738 US9489013, 9 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287804 347916540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447806 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2ccccn2)C1 InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1 UMIXHCSZXKINFB-KAYWLYCHSA-N 256739 US9489013, 10 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287805 347916541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447807 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cccnc2)C1 InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1 BFQREBABDXGEMX-KAYWLYCHSA-N 256740 US9489013, 11 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287947 347916542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447808 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CC2)C1 InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1 AMHKQZGSNKYDKI-JWQCQUIFSA-N 256741 US9489013, 12 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287948 347916543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447809 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CCC(F)(F)F)C1 InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1 FCNSILZIDHFQQL-DHIUTWEWSA-N 256742 US9489013, 13 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75203540 347916544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447810 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnco2)C1 InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/m1/s1 PJWXZIOOLPIBQH-JWQCQUIFSA-N 256743 US9489013, 14 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287949 347916545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447811 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cncnc2)C1 InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26-/m1/s1 BBRHEFOZBPTFIY-CLJLJLNGSA-N 256744 US9489013, 15 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287950 347916546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447812 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1 InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26-/m1/s1 WNHOUMACKAGPIW-CLJLJLNGSA-N 256745 US9489013, 16 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287951 347916547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447813 COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1 InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27-/m1/s1 DGZLNBXDRKEZBW-LOKIQYQMSA-N 256746 US9489013, 17 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285700 347916548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447814 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cocn2)C1 InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1 WZOJBMUQJGTZIJ-RPBOFIJWSA-N 256747 US9489013, 18 Beta-secretase 1 Homo sapiens 47 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285701 347916549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447815 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cscn2)C1 InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1 GNJDAAGNXLWPPK-RPBOFIJWSA-N 256748 US9489013, 19 Beta-secretase 1 Homo sapiens 20 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285702 347916550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447816 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CCOC2)C1 InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26+/m1/s1 GSBBJPLUKMFSQD-IBSSSRLASA-N 256749 US9489013, 20 Beta-secretase 1 Homo sapiens 51 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285703 347916551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447817 COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1 InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27+/m1/s1 DGZLNBXDRKEZBW-HRBFUPENSA-N 256750 US9489013, 21 Beta-secretase 1 Homo sapiens 91 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285704 347916552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447818 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2ccccn2)C1 InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27+/m1/s1 UMIXHCSZXKINFB-SXOMAYOGSA-N 256751 US9489013, 22 Beta-secretase 1 Homo sapiens 26 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285859 347916553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447819 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cccnc2)C1 InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27+/m1/s1 BFQREBABDXGEMX-SXOMAYOGSA-N 256752 US9489013, 23 Beta-secretase 1 Homo sapiens 30 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285860 347916554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447820 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CC2)C1 InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25+/m1/s1 AMHKQZGSNKYDKI-RPBOFIJWSA-N 256753 US9489013, 24 Beta-secretase 1 Homo sapiens 34 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285861 347916555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447821 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CCC(F)(F)F)C1 InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23+/m1/s1 FCNSILZIDHFQQL-PKTZIBPZSA-N 256754 US9489013, 25 Beta-secretase 1 Homo sapiens 15 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285862 347916556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447822 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cncnc2)C1 InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26+/m1/s1 BBRHEFOZBPTFIY-FTJBHMTQSA-N 256755 US9489013, 26 Beta-secretase 1 Homo sapiens 51 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285863 347916557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447823 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnn(C)c2)C1 InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26+/m1/s1 WNHOUMACKAGPIW-FTJBHMTQSA-N 256756 US9489013, 27 Beta-secretase 1 Homo sapiens 54 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286009 347916558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447824 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnco2)C1 InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1 PJWXZIOOLPIBQH-RPBOFIJWSA-N 256757 US9489013, 28 Beta-secretase 1 Homo sapiens 28 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286010 347916559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447825 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccncc3)C2)S1(=O)=O InChI=1S/C26H27F2N7O3S/c1-25(20-13-19(4-5-21(20)28)32-23(36)22-6-3-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-12-35(16-26)15-17-7-10-30-11-8-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1 IWZDPRSVPNHWSX-CLJLJLNGSA-N 256758 US9489013, 29 Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286011 347916560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447826 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnco3)C2)S1(=O)=O InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1 PCLGAKHIUADDGN-DNQXCXABSA-N 256759 US9489013, 30 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286012 347916561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447827 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1 TYNRGDMOULFXPY-DNQXCXABSA-N 256760 US9489013, 31 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286013 347916562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447828 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1 NGPHTVXXKPWBFE-GWIGBITDSA-N 256761 US9489013, 32 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286157 347916563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447829 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cscn3)C2)S1(=O)=O InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1 NYLCKSMOJRUAMS-DNQXCXABSA-N 256762 US9489013, 33 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286158 347916564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447830 COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1 InChI=1S/C26H32F2N6O4S/c1-25(20-12-18(5-6-21(20)28)31-23(35)22-7-4-17(27)13-30-22)26(39(36,37)33(2)24(29)32-25)8-9-34(15-26)14-16-10-19(11-16)38-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H2,29,32)(H,31,35)/t16?,19?,25-,26-/m1/s1 MMRQPCLPZAITEM-ONQCARMESA-N 256763 US9489013, 34 Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286159 347916565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447831 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cccnc3)C2)S1(=O)=O InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1 FLBGWESVICALMG-CLJLJLNGSA-N 256764 US9489013, 35 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286160 347916566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447832 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22-/m1/s1 SDRRMAFKXWCTGV-FGZHOGPDSA-N 256765 US9489013, 36 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286161 347916567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447833 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cocn3)C2)S1(=O)=O InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1 WBMOBCSTLLKLOA-DNQXCXABSA-N 256766 US9489013, 37 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286309 347916568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447834 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cncnc3)C2)S1(=O)=O InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25-/m1/s1 DVRPTMNWPDAQDY-JWQCQUIFSA-N 256767 US9489013, 38 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286310 347916569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447835 CCCCN1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1 ODMXWBIQPHUQGR-DNQXCXABSA-N 256768 US9489013, 39 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286311 347916570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447836 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O InChI=1S/C25H28F2N8O3S/c1-24(19-10-18(5-6-20(19)27)31-22(36)21-7-4-17(26)12-29-21)25(39(37,38)34(3)23(28)32-24)8-9-35(15-25)14-16-11-30-33(2)13-16/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,28,32)(H,31,36)/t24-,25-/m1/s1 FCBMFSTVCQDNMI-JWQCQUIFSA-N 256769 US9489013, 40 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286312 347916571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447837 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1 JYBYZESYNAYNQK-CLJLJLNGSA-N 256770 US9489013, 41 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286313 347916572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447838 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cscn3)C2)S1(=O)=O InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1 NYLCKSMOJRUAMS-RPWUZVMVSA-N 256771 US9489013, 42 Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286462 347916573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447839 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CCOC3)C2)S1(=O)=O InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25+/m1/s1 NGPHTVXXKPWBFE-DTBCUYFASA-N 256772 US9489013, 43 Beta-secretase 1 Homo sapiens 119 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286463 347916574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447840 COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1 InChI=1S/C26H32F2N6O4S/c1-25(20-12-18(5-6-21(20)28)31-23(35)22-7-4-17(27)13-30-22)26(39(36,37)33(2)24(29)32-25)8-9-34(15-26)14-16-10-19(11-16)38-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H2,29,32)(H,31,35)/t16?,19?,25-,26+/m1/s1 MMRQPCLPZAITEM-UNVXIPDISA-N 256773 US9489013, 44 Beta-secretase 1 Homo sapiens 120 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286464 347916575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447841 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccccn3)C2)S1(=O)=O InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1 JYBYZESYNAYNQK-FTJBHMTQSA-N 256774 US9489013, 45 Beta-secretase 1 Homo sapiens 33 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286465 347916576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447842 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cccnc3)C2)S1(=O)=O InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1 FLBGWESVICALMG-FTJBHMTQSA-N 256775 US9489013, 46 Beta-secretase 1 Homo sapiens 54 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286466 347916577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447843 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CC3)C2)S1(=O)=O InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1 TYNRGDMOULFXPY-RPWUZVMVSA-N 256776 US9489013, 47 Beta-secretase 1 Homo sapiens 58 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286609 347916578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447844 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22+/m1/s1 SDRRMAFKXWCTGV-YADHBBJMSA-N 256777 US9489013, 48 Beta-secretase 1 Homo sapiens 22 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286610 347916579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447845 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cocn3)C2)S1(=O)=O InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1 WBMOBCSTLLKLOA-RPWUZVMVSA-N 256778 US9489013, 49 Beta-secretase 1 Homo sapiens 33 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286611 347916580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447846 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cncnc3)C2)S1(=O)=O InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25+/m1/s1 DVRPTMNWPDAQDY-RPBOFIJWSA-N 256779 US9489013, 50 Beta-secretase 1 Homo sapiens 70 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286612 347916581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447847 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O InChI=1S/C25H28F2N8O3S/c1-24(19-10-18(5-6-20(19)27)31-22(36)21-7-4-17(26)12-29-21)25(39(37,38)34(3)23(28)32-24)8-9-35(15-25)14-16-11-30-33(2)13-16/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,28,32)(H,31,36)/t24-,25+/m1/s1 FCBMFSTVCQDNMI-RPBOFIJWSA-N 256780 US9489013, 51 Beta-secretase 1 Homo sapiens 151 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286613 347916582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447848 CCCCN1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1 ODMXWBIQPHUQGR-RPWUZVMVSA-N 256781 US9489013, 52 Beta-secretase 1 Homo sapiens 73 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286760 347916583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447849 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccncc3)C2)S1(=O)=O InChI=1S/C26H27F2N7O3S/c1-25(20-13-19(4-5-21(20)28)32-23(36)22-6-3-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-12-35(16-26)15-17-7-10-30-11-8-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1 IWZDPRSVPNHWSX-FTJBHMTQSA-N 256782 US9489013, 53 Beta-secretase 1 Homo sapiens 84 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286761 347916584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447850 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnco3)C2)S1(=O)=O InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1 PCLGAKHIUADDGN-RPWUZVMVSA-N 256783 US9489013, 54 Beta-secretase 1 Homo sapiens 54 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286762 347916585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447851 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(C)(=O)=O InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22-/m1/s1 IDMRKUMLFXTUHG-FGZHOGPDSA-N 256784 US9489013, 55 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286763 347916586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447852 CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23-/m1/s1 JTOXHWAXERLMCJ-DHIUTWEWSA-N 256785 US9489013, 56 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286764 347916587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447853 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC(C)C InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1 SEENGVHYCRGRAD-JWQCQUIFSA-N 256786 US9489013, 57 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76286916 347916588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447854 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1 InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27-/m1/s1 MLWKNTQDGZTMCA-KAYWLYCHSA-N 256787 US9489013, 58 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287367 347916589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447855 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1 InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27-/m1/s1 OHJQIORTAHXAAP-KAYWLYCHSA-N 256788 US9489013, 59 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674590 347916590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447856 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)C1CC1 InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24-/m1/s1 MDOQKNPBFXGYEG-DNQXCXABSA-N 256789 US9489013, 60 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674587 347916591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447857 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C25H29FN8O6S2/c1-24(18-11-16(5-7-19(18)26)30-22(35)20-8-6-17(40-4)12-28-20)25(42(38,39)33(3)23(27)31-24)9-10-34(14-25)41(36,37)21-13-32(2)15-29-21/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,31)(H,30,35)/t24-,25-/m1/s1 WVNQOOTXZPUPBE-JWQCQUIFSA-N 256790 US9489013, 61 Beta-secretase 1 Homo sapiens 6 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287067 347916592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447858 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC1CCCO1 InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26-/m1/s1 GBSFLJSDBPYVRF-VTFDQJKESA-N 256791 US9489013, 62 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287068 347916593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447859 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccccc1 InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27+/m1/s1 OHJQIORTAHXAAP-SXOMAYOGSA-N 256792 US9489013, 63 Beta-secretase 1 Homo sapiens 12 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674588 347916594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447860 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)C1CC1 InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24+/m1/s1 MDOQKNPBFXGYEG-RPWUZVMVSA-N 256793 US9489013, 64 Beta-secretase 1 Homo sapiens 40 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674589 347916595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447861 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C25H29FN8O6S2/c1-24(18-11-16(5-7-19(18)26)30-22(35)20-8-6-17(40-4)12-28-20)25(42(38,39)33(3)23(27)31-24)9-10-34(14-25)41(36,37)21-13-32(2)15-29-21/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,31)(H,30,35)/t24-,25+/m1/s1 WVNQOOTXZPUPBE-RPBOFIJWSA-N 256794 US9489013, 65 Beta-secretase 1 Homo sapiens 29 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287218 347916596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447862 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC1CCCO1 InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26+/m1/s1 GBSFLJSDBPYVRF-WSMRJJHLSA-N 256795 US9489013, 66 Beta-secretase 1 Homo sapiens 32 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287219 347916597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447863 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn[nH]c1 256796 US9489013, 67 Beta-secretase 1 Homo sapiens 20 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287220 347916598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447864 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(C)(=O)=O InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22+/m1/s1 IDMRKUMLFXTUHG-YADHBBJMSA-N 256797 US9489013, 68 Beta-secretase 1 Homo sapiens 35 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287221 347916599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447865 CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23+/m1/s1 JTOXHWAXERLMCJ-PKTZIBPZSA-N 256798 US9489013, 69 Beta-secretase 1 Homo sapiens 33 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287222 347916600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447866 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(C)C InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25+/m1/s1 SEENGVHYCRGRAD-RPBOFIJWSA-N 256799 US9489013, 70 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287364 347916601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447867 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1 InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27+/m1/s1 MLWKNTQDGZTMCA-SXOMAYOGSA-N 256800 US9489013, 71 Beta-secretase 1 Homo sapiens 24 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287365 347916602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447868 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(F)(F)F InChI=1S/C23H26F4N6O6S2/c1-21(16-10-14(4-6-17(16)24)30-19(34)18-7-5-15(39-3)11-29-18)22(41(37,38)32(2)20(28)31-21)8-9-33(12-22)40(35,36)13-23(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H2,28,31)(H,30,34)/t21-,22+/m1/s1 PCNUJNJLGDBEBW-YADHBBJMSA-N 256801 US9489013, 72 Beta-secretase 1 Homo sapiens 28 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287366 347916603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447869 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26-/m1/s1 MMGNGUJAIHDZMD-CLJLJLNGSA-N 256802 US9489013, 73 Beta-secretase 1 Homo sapiens 3 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674584 347916604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447870 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC(F)(F)F)S1(=O)=O InChI=1S/C22H23F5N6O5S2/c1-20(15-9-14(4-5-16(15)24)30-18(34)17-6-3-13(23)10-29-17)21(40(37,38)32(2)19(28)31-20)7-8-33(11-21)39(35,36)12-22(25,26)27/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,28,31)(H,30,34)/t20-,21-/m1/s1 WGUDWIAWYZNTON-NHCUHLMSSA-N 256803 US9489013, 74 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674585 347916605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447871 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21-/m1/s1 MMNYGNJXLCCNNR-NHCUHLMSSA-N 256804 US9489013, 75 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287508 347916606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447872 CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22-/m1/s1 YCSGFNKKJYBAEN-FGZHOGPDSA-N 256805 US9489013, 76 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287509 347916607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447873 CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1 JKTLLQUTYSVYQN-DNQXCXABSA-N 256806 US9489013, 77 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287510 347916608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447874 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26-/m1/s1 AGNMDKJKGFYLMR-CLJLJLNGSA-N 256807 US9489013, 78 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287511 347916609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447875 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23-/m1/s1 DSIIMQJQSAWDAZ-DHIUTWEWSA-N 256808 US9489013, 79 Beta-secretase 1 Homo sapiens 1 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287657 347916610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447876 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1 NRTWSSMPZHOJQQ-CLJLJLNGSA-N 256809 US9489013, 80 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287658 347916611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447877 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O InChI=1S/C24H26F2N8O5S2/c1-23(17-10-16(5-6-18(17)26)30-21(35)19-7-4-15(25)11-28-19)24(41(38,39)33(3)22(27)31-23)8-9-34(13-24)40(36,37)20-12-32(2)14-29-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,27,31)(H,30,35)/t23-,24-/m1/s1 YFFYIHMPFQKDII-DNQXCXABSA-N 256810 US9489013, 81 Beta-secretase 1 Homo sapiens 8 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287659 347916612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447878 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O InChI=1S/C25H30F2N6O6S2/c1-24(19-12-17(6-7-20(19)27)30-22(34)21-8-5-16(26)13-29-21)25(41(37,38)32(2)23(28)31-24)9-10-33(15-25)40(35,36)14-18-4-3-11-39-18/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H2,28,31)(H,30,34)/t18?,24-,25-/m1/s1 VOXHVLOLWMEMEU-XTEKXTAFSA-N 256811 US9489013, 82 Beta-secretase 1 Homo sapiens 4 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287660 347916613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447879 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O 256812 US9489013, 83 Beta-secretase 1 Homo sapiens 5 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287806 347916614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447880 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25-/m1/s1 WZYBBCDHRDVZEE-JWQCQUIFSA-N 256813 US9489013, 84 Beta-secretase 1 Homo sapiens 2 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287807 347916615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447881 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25+/m1/s1 WZYBBCDHRDVZEE-RPBOFIJWSA-N 256814 US9489013, 85 Beta-secretase 1 Homo sapiens 41 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287808 347916616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447882 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O InChI=1S/C25H30F2N6O6S2/c1-24(19-12-17(6-7-20(19)27)30-22(34)21-8-5-16(26)13-29-21)25(41(37,38)32(2)23(28)31-24)9-10-33(15-25)40(35,36)14-18-4-3-11-39-18/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H2,28,31)(H,30,34)/t18?,24-,25+/m1/s1 VOXHVLOLWMEMEU-MGAPBXJLSA-N 256815 US9489013, 86 Beta-secretase 1 Homo sapiens 42 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287809 347916617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447883 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O 256816 US9489013, 87 Beta-secretase 1 Homo sapiens 15 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287810 347916618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447884 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21+/m1/s1 MMNYGNJXLCCNNR-RTWAWAEBSA-N 256817 US9489013, 88 Beta-secretase 1 Homo sapiens 34 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287952 347916619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447885 CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22+/m1/s1 YCSGFNKKJYBAEN-YADHBBJMSA-N 256818 US9489013, 89 Beta-secretase 1 Homo sapiens 45 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287953 347916620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447886 CC(C)CS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1 JKTLLQUTYSVYQN-RPWUZVMVSA-N 256819 US9489013, 90 Beta-secretase 1 Homo sapiens 48 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287954 347916621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447887 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26+/m1/s1 AGNMDKJKGFYLMR-FTJBHMTQSA-N 256820 US9489013, 91 Beta-secretase 1 Homo sapiens 16 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287956 347916622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447888 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23+/m1/s1 DSIIMQJQSAWDAZ-PKTZIBPZSA-N 256821 US9489013, 92 Beta-secretase 1 Homo sapiens 41 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285705 347916623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447889 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1 NRTWSSMPZHOJQQ-FTJBHMTQSA-N 256822 US9489013, 93 Beta-secretase 1 Homo sapiens 28 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285706 347916624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447890 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O InChI=1S/C24H26F2N8O5S2/c1-23(17-10-16(5-6-18(17)26)30-21(35)19-7-4-15(25)11-28-19)24(41(38,39)33(3)22(27)31-23)8-9-34(13-24)40(36,37)20-12-32(2)14-29-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,27,31)(H,30,35)/t23-,24+/m1/s1 YFFYIHMPFQKDII-RPWUZVMVSA-N 256823 US9489013, 94 Beta-secretase 1 Homo sapiens 37 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674583 347916625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447891 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26+/m1/s1 MMGNGUJAIHDZMD-FTJBHMTQSA-N 256824 US9489013, 95 Beta-secretase 1 Homo sapiens 25 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122674581 347916626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447892 COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(Cc2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccccc2)C1 InChI=1S/C30H34FN5O4S/c1-29(25-17-24(13-14-26(25)31)33-27(37)20-40-2)30(15-16-35(21-30)18-22-9-5-3-6-10-22)41(38,39)36(28(32)34-29)19-23-11-7-4-8-12-23/h3-14,17H,15-16,18-21H2,1-2H3,(H2,32,34)(H,33,37)/t29-,30-/m1/s1 NPJCSXXBLYXRQE-LOYHVIPDSA-N 256825 US9489013, 96 Beta-secretase 1 Homo sapiens 22 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 131709621 347916627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 447893 COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCNC1 InChI=1S/C17H24FN5O4S/c1-16(12-8-11(4-5-13(12)18)21-14(24)9-27-3)17(6-7-20-10-17)28(25,26)23(2)15(19)22-16/h4-5,8,20H,6-7,9-10H2,1-3H3,(H2,19,22)(H,21,24)/t16-,17-/m1/s1 QKQYMYUQLGUHHI-IAGOWNOFSA-N 256826 US9489013, 97 Beta-secretase 1 Homo sapiens 1037 5 30.00 C US Patent 10.7270/Q2Q81C18 aid1803610 US9489013 Cumming, JN; Kaelin, Jr., DE; Scott, JD; Stamford, AW; Iserloh, U Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=256826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=256826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285709 347916628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024686 CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C39H60N6O7S/c1-9-13-29(44-38(51)52-39(5,6)7)35(48)42-30(18-21-53-8)36(49)43-31(23-27-14-11-10-12-15-27)32(46)22-26(4)34(47)45-33(25(2)3)37(50)41-24-28-16-19-40-20-17-28/h10-12,14-17,19-20,25-26,29-33,46H,9,13,18,21-24H2,1-8H3,(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,47)/t26-,29+,30+,31+,32+,33+/m1/s1 VVUJHZKOIHQORZ-VCDNNQQPSA-N 50137693 CHEMBL81037::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-butyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9875397 104027836 CHEMBL81037 ZINC95544000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024687 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(F)(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 InChI=1S/C38H55F3N6O7/c1-23(2)31(35(52)43-22-27-15-18-42-19-16-27)47-32(49)24(3)20-30(48)29(21-26-12-9-8-10-13-26)45-33(50)25(4)44-34(51)28(14-11-17-38(39,40)41)46-36(53)54-37(5,6)7/h8-10,12-13,15-16,18-19,23-25,28-31,48H,11,14,17,20-22H2,1-7H3,(H,43,52)(H,44,51)(H,45,50)(H,46,53)(H,47,49)/t24-,25+,28+,29+,30+,31+/m1/s1 CAQLXINYFRLRAG-CUTTXCQYSA-N 50137692 CHEMBL309296::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-5,5,5-trifluoro-pentyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 419 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318040 104027835 CHEMBL309296 ZINC95610281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024688 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C39H60N6O7S/c1-24(2)32(36(49)41-23-28-15-18-40-19-16-28)44-34(47)26(5)21-31(46)30(22-27-13-11-10-12-14-27)43-35(48)29(17-20-53-9)42-37(50)33(25(3)4)45-38(51)52-39(6,7)8/h10-16,18-19,24-26,29-33,46H,17,20-23H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t26-,29+,30+,31+,32+,33+/m1/s1 ILJZYWVZOLXOOW-VCDNNQQPSA-N 50137690 CHEMBL310452::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44460227 104027833 CHEMBL310452 ZINC95610276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024691 COCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C39H60N6O8/c1-24(2)32(36(49)41-23-28-15-18-40-19-16-28)44-34(47)26(5)21-31(46)30(22-27-13-11-10-12-14-27)43-35(48)29(17-20-52-9)42-37(50)33(25(3)4)45-38(51)53-39(6,7)8/h10-16,18-19,24-26,29-33,46H,17,20-23H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t26-,29+,30+,31+,32+,33+/m1/s1 NFSDSWVYUNERSG-VCDNNQQPSA-N 50137688 CHEMBL314014::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-3-methoxy-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 127 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44460350 104027831 CHEMBL314014 ZINC26498604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024692 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C38H58N6O7/c1-10-24(4)32(44-37(50)51-38(7,8)9)36(49)41-26(6)34(47)42-29(21-27-14-12-11-13-15-27)30(45)20-25(5)33(46)43-31(23(2)3)35(48)40-22-28-16-18-39-19-17-28/h11-19,23-26,29-32,45H,10,20-22H2,1-9H3,(H,40,48)(H,41,49)(H,42,47)(H,43,46)(H,44,50)/t24-,25-,26+,29+,30+,31+,32+/m1/s1 PACREYHQMKNGGT-VHBSSOFISA-N 50366890 CHEMBL1790594 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56679223 160845992 CHEMBL1790594 ZINC26490107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024695 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H57N7O7/c1-23(2)31(35(49)39-21-27-15-17-38-18-16-27)43-32(46)24(3)19-30(45)28(20-26-13-11-10-12-14-26)41-33(47)25(4)40-34(48)29(22-44(8)9)42-36(50)51-37(5,6)7/h10-18,23-25,28-31,45H,19-22H2,1-9H3,(H,39,49)(H,40,48)(H,41,47)(H,42,50)(H,43,46)/t24-,25+,28+,29+,30+,31+/m1/s1 WGIBXNUEMOBZSJ-CUTTXCQYSA-N 50137679 CHEMBL81218::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-2-dimethylamino-ethyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 2530 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318060 104027822 CHEMBL81218 ZINC26490101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024696 CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)(C)O InChI=1S/C46H72N8O15/c1-24(2)38(54-41(63)29(47)16-18-36(57)58)44(66)52-32(23-35(48)56)43(65)51-31(20-26-12-8-6-9-13-26)34(55)22-28(46(4,5)69)40(62)49-25(3)39(61)50-30(17-19-37(59)60)42(64)53-33(45(67)68)21-27-14-10-7-11-15-27/h7,10-11,14-15,24-26,28-34,38,55,69H,6,8-9,12-13,16-23,47H2,1-5H3,(H2,48,56)(H,49,62)(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,63)(H,57,58)(H,59,60)(H,67,68)/t25-,28-,29+,30-,31+,32+,33-,34+,38+/m1/s1 AMTGOMSZZWMQTI-GACBUXOZSA-N 50137691 (S)-5-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-(S)-carbamoyl-1-(S)-oxo-propylamino}-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-hexanoic acid(R)-4-((R)-2-Amino-propionylamino)-4-((R)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL311262 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10147942 104027834 CHEMBL311262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024697 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C38H58N6O7/c1-23(2)19-30(43-37(50)51-38(7,8)9)35(48)41-26(6)34(47)42-29(21-27-13-11-10-12-14-27)31(45)20-25(5)33(46)44-32(24(3)4)36(49)40-22-28-15-17-39-18-16-28/h10-18,23-26,29-32,45H,19-22H2,1-9H3,(H,40,49)(H,41,48)(H,42,47)(H,43,50)(H,44,46)/t25-,26+,29+,30+,31+,32+/m1/s1 HTMCNTJWNAFWCP-AURPNGQFSA-N 50137683 CHEMBL309884::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44317758 104027826 CHEMBL309884 ZINC26490604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024698 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25-,28+,29+,30+,31+/m1/s1 WWRRFQHCNOJJJP-QPOBTHIWSA-N 50451850 CHEMBL2114169 Beta-secretase 1 Homo sapiens 1058 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456273 225145495 CHEMBL2114169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024699 CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C36H54N6O7/c1-9-27(41-35(48)49-36(6,7)8)33(46)39-24(5)32(45)40-28(20-25-13-11-10-12-14-25)29(43)19-23(4)31(44)42-30(22(2)3)34(47)38-21-26-15-17-37-18-16-26/h10-18,22-24,27-30,43H,9,19-21H2,1-8H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,44)/t23-,24+,27+,28+,29+,30+/m1/s1 LYIXMNCFLQPSMJ-JAYDILGYSA-N 50137684 CHEMBL78459::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44317881 104027827 CHEMBL78459 ZINC26484313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024701 CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-9-13-28(42-36(49)50-37(6,7)8)34(47)40-25(5)33(46)41-29(21-26-14-11-10-12-15-26)30(44)20-24(4)32(45)43-31(23(2)3)35(48)39-22-27-16-18-38-19-17-27/h10-12,14-19,23-25,28-31,44H,9,13,20-22H2,1-8H3,(H,39,48)(H,40,47)(H,41,46)(H,42,49)(H,43,45)/t24-,25+,28+,29+,30+,31+/m1/s1 IHHAXMCDSKPMPT-CUTTXCQYSA-N 50137686 CHEMBL78781::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-butyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44317882 104027829 CHEMBL78781 ZINC26482410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024702 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C40H61N5O7S/c1-25(2)33(37(49)41-24-29-18-14-11-15-19-29)44-35(47)27(5)22-32(46)31(23-28-16-12-10-13-17-28)43-36(48)30(20-21-53-9)42-38(50)34(26(3)4)45-39(51)52-40(6,7)8/h10-19,25-27,30-34,46H,20-24H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t27-,30+,31+,32+,33+,34+/m1/s1 ARHPARISSZVWOE-GVEPQBHGSA-N 50137678 CHEMBL312277::[(S)-1-((S)-1-{(3S,4S)-1-Benzyl-4-[(R)-1-((S)-benzylcarbamoyl)-2-methyl-propylcarbamoyl]-2-hydroxy-pentylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44460349 104027821 CHEMBL312277 ZINC95542575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024705 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 OTAKXFOXYSLTCG-KNSFHFJMSA-N 16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212352 46516094 CHEMBL290001 ZINC26176801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024706 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024710 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1 WWRRFQHCNOJJJP-CUTTXCQYSA-N 15799 CHEMBL81671::Macrocyclic BACE inhibitor 1::tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644687 46509465 CHEMBL81671 ZINC26492127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024711 COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O8/c1-23(2)31(35(48)39-22-27-14-17-38-18-15-27)43-32(45)24(3)20-30(44)29(21-26-12-10-9-11-13-26)41-33(46)25(4)40-34(47)28(16-19-50-8)42-36(49)51-37(5,6)7/h9-15,17-18,23-25,28-31,44H,16,19-22H2,1-8H3,(H,39,48)(H,40,47)(H,41,46)(H,42,49)(H,43,45)/t24-,25+,28+,29+,30+,31+/m1/s1 CVHDRPLAZDJINN-CUTTXCQYSA-N 50137687 CHEMBL82593::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-3-methoxy-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 705 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318042 104027830 CHEMBL82593 ZINC26488591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024712 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)(F)C(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H52F4N6O7/c1-21(2)29(33(52)43-20-25-13-15-42-16-14-25)47-30(49)22(3)17-28(48)26(18-24-11-9-8-10-12-24)45-31(50)23(4)44-32(51)27(19-37(40,41)34(38)39)46-35(53)54-36(5,6)7/h8-16,21-23,26-29,34,48H,17-20H2,1-7H3,(H,43,52)(H,44,51)(H,45,50)(H,46,53)(H,47,49)/t22-,23+,26+,27+,28+,29+/m1/s1 PGQTTYTZUPDIHQ-KIFMHGOHSA-N 50137680 CHEMBL82607::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-3,3,4,4-tetrafluoro-butyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 281 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9832080 104027823 CHEMBL82607 ZINC95544620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024713 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 InChI=1S/C38H59N7O7/c1-24(2)32(36(50)40-23-28-15-18-39-19-16-28)44-33(47)25(3)21-31(46)30(22-27-13-11-10-12-14-27)42-34(48)26(4)41-35(49)29(17-20-45(8)9)43-37(51)52-38(5,6)7/h10-16,18-19,24-26,29-32,46H,17,20-23H2,1-9H3,(H,40,50)(H,41,49)(H,42,48)(H,43,51)(H,44,47)/t25-,26+,29+,30+,31+,32+/m1/s1 GBELIZVMQOJBSQ-AURPNGQFSA-N 50137689 CHEMBL81518::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-3-dimethylamino-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 89000 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318059 104027832 CHEMBL81518 ZINC26491793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024714 COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C36H54N6O8/c1-22(2)30(34(47)38-20-26-14-16-37-17-15-26)42-31(44)23(3)18-29(43)27(19-25-12-10-9-11-13-25)40-32(45)24(4)39-33(46)28(21-49-8)41-35(48)50-36(5,6)7/h9-17,22-24,27-30,43H,18-21H2,1-8H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,44)/t23-,24+,27+,28+,29+,30+/m1/s1 GFENKSABMAOJTA-JAYDILGYSA-N 50137682 CHEMBL82594::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-2-methoxy-ethyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 118 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318044 104027825 CHEMBL82594 ZINC26488596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024715 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 InChI=1S/C36H52F2N6O7/c1-21(2)30(34(49)40-20-25-13-15-39-16-14-25)44-31(46)22(3)17-28(45)26(18-24-11-9-8-10-12-24)42-32(47)23(4)41-33(48)27(19-29(37)38)43-35(50)51-36(5,6)7/h8-16,21-23,26-30,45H,17-20H2,1-7H3,(H,40,49)(H,41,48)(H,42,47)(H,43,50)(H,44,46)/t22-,23+,26+,27+,28+,30+/m1/s1 CLLUELOOOLMHGM-ZXSVIEFPSA-N 50137681 CHEMBL81490::{(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hydroxy-4-{(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-3,3-difluoro-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2003.09.084 10.7270/Q2MW2HP3 14684335 Lamar, J; Hu, J; Bueno, AB; Yang, HC; Guo, D; Copp, JD; McGee, J; Gitter, B; Timm, D; May, P; McCarthy, J; Chen, SH Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918729 104027824 CHEMBL81490 ZINC26489914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024716 CSCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C34H51N5O6S/c1-21(2)29(33(44)36-20-25-12-15-35-16-13-25)39-31(42)23(5)18-28(40)27(19-24-10-8-7-9-11-24)38-32(43)26(14-17-46-6)37-34(45)30(41)22(3)4/h7-13,15-16,21-23,26-30,40-41H,14,17-20H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)(H,39,42)/t23-,26+,27+,28+,29+,30+/m1/s1 MTIISIIWETWJQO-XMGYLCLZSA-N 50137707 (S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL82352 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44462105 104027850 CHEMBL82352 ZINC26504004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024717 CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C33H49N5O6/c1-7-21(4)29(40)33(44)36-23(6)31(42)37-26(18-24-11-9-8-10-12-24)27(39)17-22(5)30(41)38-28(20(2)3)32(43)35-19-25-13-15-34-16-14-25/h8-16,20-23,26-29,39-40H,7,17-19H2,1-6H3,(H,35,43)(H,36,44)(H,37,42)(H,38,41)/t21-,22+,23-,26-,27-,28-,29-/m0/s1 FWFRTAYTQFNKDM-GNCUPBPHSA-N 50366891 CHEMBL1790644 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918730 160845993 CHEMBL1790644 ZINC26504242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024721 CC(C)[C@H](F)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C32H46FN5O5/c1-19(2)27(33)31(42)36-22(6)30(41)37-25(17-23-10-8-7-9-11-23)26(39)16-21(5)29(40)38-28(20(3)4)32(43)35-18-24-12-14-34-15-13-24/h7-15,19-22,25-28,39H,16-18H2,1-6H3,(H,35,43)(H,36,42)(H,37,41)(H,38,40)/t21-,22+,25+,26+,27+,28+/m1/s1 ZKYVJVLJUGAHBJ-WTOKIVCYSA-N 50137711 (S)-5-[(S)-2-((S)-2-Fluoro-3-methyl-butyrylamino)-propionylamino]-4-(S)-hydroxy-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL82270 Beta-secretase 1 Homo sapiens 1130 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44462104 104027854 CHEMBL82270 ZINC26504000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024722 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C33H48N4O6/c1-20(2)28(32(42)34-19-25-15-11-8-12-16-25)37-30(40)22(5)17-27(38)26(18-24-13-9-7-10-14-24)36-31(41)23(6)35-33(43)29(39)21(3)4/h7-16,20-23,26-29,38-39H,17-19H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t22-,23+,26+,27+,28+,29+/m1/s1 ISTMNWSCPKLVBY-KIFMHGOHSA-N 50137699 (S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid ((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide::CHEMBL316181 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318092 104027842 CHEMBL316181 ZINC26501500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024725 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCCF)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCF)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H55F2N5O6/c1-5-25(4)33(46)37(50)42-29(14-10-18-39)35(48)43-30(21-26-11-7-6-8-12-26)31(45)22-28(13-9-17-38)34(47)44-32(24(2)3)36(49)41-23-27-15-19-40-20-16-27/h6-8,11-12,15-16,19-20,24-25,28-33,45-46H,5,9-10,13-14,17-18,21-23H2,1-4H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t25-,28+,29-,30-,31-,32-,33-/m0/s1 YCZKRRJMDAHFDI-GMHXWLSASA-N 50137706 (S)-5-[(S)-5-Fluoro-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-pentanoylamino]-2-(3-fluoro-propyl)-4-(S)-hydroxy-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL433329 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318084 104027849 CHEMBL433329 ZINC26504226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024726 CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1ccccc1 InChI=1S/C35H52N4O6/c1-8-26(33(43)39-30(21(2)3)34(44)36-23(6)27-17-13-10-14-18-27)20-29(40)28(19-25-15-11-9-12-16-25)38-32(42)24(7)37-35(45)31(41)22(4)5/h9-18,21-24,26,28-31,40-41H,8,19-20H2,1-7H3,(H,36,44)(H,37,45)(H,38,42)(H,39,43)/t23-,24-,26+,28-,29-,30-,31-/m0/s1 DUKKUIJHICDQFE-YSSHQTOGSA-N 50137697 (S)-2-Ethyl-4-(S)-hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-6-phenyl-hexanoic acid [(S)-2-methyl-1-((S)-1-phenyl-ethylcarbamoyl)-propyl]-amide::CHEMBL84249 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318091 104027840 CHEMBL84249 ZINC26501498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024727 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C32H47N5O6/c1-19(2)27(31(42)34-18-24-12-14-33-15-13-24)37-29(40)21(5)16-26(38)25(17-23-10-8-7-9-11-23)36-30(41)22(6)35-32(43)28(39)20(3)4/h7-15,19-22,25-28,38-39H,16-18H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t21-,22+,25+,26+,27+,28+/m1/s1 QDDJSXCKOULAAU-WTOKIVCYSA-N 50137710 (2S,3S)-4-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid {2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL312058 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9808761 104027853 CHEMBL312058 ZINC26566833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024728 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(F)F)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C35H49F4N5O6/c1-5-21(4)31(46)35(50)43-26(18-29(38)39)33(48)42-25(15-22-9-7-6-8-10-22)27(45)16-24(17-28(36)37)32(47)44-30(20(2)3)34(49)41-19-23-11-13-40-14-12-23/h6-14,20-21,24-31,45-46H,5,15-19H2,1-4H3,(H,41,49)(H,42,48)(H,43,50)(H,44,47)/t21-,24-,25-,26-,27-,30-,31-/m0/s1 UDZFQSFAOWENNY-DZBYZWQYSA-N 50137700 (S)-2-(2,2-Difluoro-ethyl)-5-[(S)-4,4-difluoro-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-butyrylamino]-4-(S)-hydroxy-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL85379 Beta-secretase 1 Homo sapiens 3180 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318083 104027843 CHEMBL85379 ZINC26567660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024730 CC(C)[C@H](O)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C36H55N5O7/c1-22(2)30(34(46)38-20-26-14-16-37-17-15-26)41-32(44)24(5)18-29(42)27(19-25-12-10-9-11-13-25)39-33(45)28(21-48-36(6,7)8)40-35(47)31(43)23(3)4/h9-17,22-24,27-31,42-43H,18-21H2,1-8H3,(H,38,46)(H,39,45)(H,40,47)(H,41,44)/t24-,27+,28+,29+,30+,31+/m1/s1 ZMTNCECIRCEISX-LJXNYGQKSA-N 50137709 (S)-5-[(S)-3-tert-Butoxy-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-4-(S)-hydroxy-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL85378 Beta-secretase 1 Homo sapiens 4490 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318082 104027852 CHEMBL85378 ZINC26567656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024732 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C39H61N5O6/c1-9-27(8)35(46)39(50)43-32(20-25(4)5)37(48)42-31(21-28-13-11-10-12-14-28)33(45)22-30(19-24(2)3)36(47)44-34(26(6)7)38(49)41-23-29-15-17-40-18-16-29/h10-18,24-27,30-35,45-46H,9,19-23H2,1-8H3,(H,41,49)(H,42,48)(H,43,50)(H,44,47)/t27-,30+,31-,32-,33-,34-,35-/m0/s1 XKMKASCTPIXULN-STKQPBNXSA-N 50137695 (S)-4-(S)-Hydroxy-5-[(S)-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-2-isobutyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL280244 Beta-secretase 1 Homo sapiens 176 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318136 104027838 CHEMBL280244 ZINC26504706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024734 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)CC(F)(F)F)C(=O)NCc1ccncc1 InChI=1S/C31H42F3N5O6/c1-18(2)26(30(45)36-17-22-10-12-35-13-11-22)39-27(42)19(3)14-24(40)23(15-21-8-6-5-7-9-21)38-28(43)20(4)37-29(44)25(41)16-31(32,33)34/h5-13,18-20,23-26,40-41H,14-17H2,1-4H3,(H,36,45)(H,37,44)(H,38,43)(H,39,42)/t19-,20+,23+,24+,25+,26+/m1/s1 DCMVDBRFPYSFOY-XXBZARGWSA-N 50137704 (S)-4-(S)-Hydroxy-2-methyl-6-phenyl-5-[(S)-2-((S)-4,4,4-trifluoro-2-hydroxy-butyrylamino)-propionylamino]-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL84022 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318126 104027847 CHEMBL84022 ZINC26502892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024735 CC(C)C[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C33H49N5O6/c1-20(2)16-28(40)32(43)36-23(6)31(42)37-26(18-24-10-8-7-9-11-24)27(39)17-22(5)30(41)38-29(21(3)4)33(44)35-19-25-12-14-34-15-13-25/h7-15,20-23,26-29,39-40H,16-19H2,1-6H3,(H,35,44)(H,36,43)(H,37,42)(H,38,41)/t22-,23+,26+,27+,28+,29+/m1/s1 IWTIFQDWLDJQRW-KIFMHGOHSA-N 50137696 (S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-4-methyl-pentanoylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL82102 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318125 104027839 CHEMBL82102 ZINC26504246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024737 CC(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C32H47N5O5/c1-20(2)16-28(39)35-23(6)31(41)36-26(18-24-10-8-7-9-11-24)27(38)17-22(5)30(40)37-29(21(3)4)32(42)34-19-25-12-14-33-15-13-25/h7-15,20-23,26-27,29,38H,16-19H2,1-6H3,(H,34,42)(H,35,39)(H,36,41)(H,37,40)/t22-,23+,26+,27+,29+/m1/s1 IIGPIJYBMWRUFJ-RLFQZUIESA-N 50137703 (S)-4-(S)-Hydroxy-2-methyl-5-[(S)-2-(3-methyl-butyrylamino)-propionylamino]-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL84835 Beta-secretase 1 Homo sapiens 1740 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318142 104027846 CHEMBL84835 ZINC26569842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024738 CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C35H52N4O6/c1-8-26(33(43)39-30(21(2)3)34(44)36-23(6)27-17-13-10-14-18-27)20-29(40)28(19-25-15-11-9-12-16-25)38-32(42)24(7)37-35(45)31(41)22(4)5/h9-18,21-24,26,28-31,40-41H,8,19-20H2,1-7H3,(H,36,44)(H,37,45)(H,38,42)(H,39,43)/t23-,24+,26-,28+,29+,30+,31+/m1/s1 DUKKUIJHICDQFE-PFQAIIIJSA-N 50137694 (S)-2-Ethyl-4-(S)-hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-6-phenyl-hexanoic acid [(S)-2-methyl-1-((R)-1-phenyl-ethylcarbamoyl)-propyl]-amide::CHEMBL82504 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318138 104027837 CHEMBL82504 ZINC26567151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024739 CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C34H51N5O6/c1-7-11-26(37-34(45)30(41)22(4)5)32(43)38-27(19-24-12-9-8-10-13-24)28(40)18-23(6)31(42)39-29(21(2)3)33(44)36-20-25-14-16-35-17-15-25/h8-10,12-17,21-23,26-30,40-41H,7,11,18-20H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)(H,39,42)/t23-,26+,27+,28+,29+,30+/m1/s1 HXMNPANFRYQTBX-XMGYLCLZSA-N 50137712 (S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-pentanoylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL84834 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318141 104027855 CHEMBL84834 ZINC26569838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024740 CC(C)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C32H47N5O7/c1-19(2)27(31(43)34-17-23-11-13-33-14-12-23)37-29(41)21(5)15-26(39)24(16-22-9-7-6-8-10-22)35-30(42)25(18-38)36-32(44)28(40)20(3)4/h6-14,19-21,24-28,38-40H,15-18H2,1-5H3,(H,34,43)(H,35,42)(H,36,44)(H,37,41)/t21-,24+,25+,26+,27+,28+/m1/s1 AGACGKXRGJHJFX-GECRCPRRSA-N 50137702 (S)-4-(S)-Hydroxy-5-[(S)-3-hydroxy-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL33724 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44462123 104027845 CHEMBL33724 ZINC26503783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024741 CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C32H48N6O5/c1-19(2)27(33)31(42)36-22(6)30(41)37-25(17-23-10-8-7-9-11-23)26(39)16-21(5)29(40)38-28(20(3)4)32(43)35-18-24-12-14-34-15-13-24/h7-15,19-22,25-28,39H,16-18,33H2,1-6H3,(H,35,43)(H,36,42)(H,37,41)(H,38,40)/t21-,22+,25+,26+,27+,28+/m1/s1 HWPPJZPOBGLVIY-WTOKIVCYSA-N 50137705 (S)-5-[(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-1-oxo-propylamino]-4-(S)-hydroxy-2-methyl-6-phenyl-hexanoic acid {(R)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL138386 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318087 104027848 CHEMBL138386 ZINC26502588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024742 CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C34H51N5O6/c1-20(2)28(32(43)36-19-25-13-15-35-16-14-25)38-31(42)23(7)17-27(40)26(18-24-11-9-8-10-12-24)37-33(44)29(21(3)4)39-34(45)30(41)22(5)6/h8-16,20-23,26-30,40-41H,17-19H2,1-7H3,(H,36,43)(H,37,44)(H,38,42)(H,39,45)/t23-,26+,27+,28+,29+,30+/m1/s1 DRFQADZZIQVIES-XMGYLCLZSA-N 50137698 (S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-3-methyl-butyrylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL312956 Beta-secretase 1 Homo sapiens 4640 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318140 104027841 CHEMBL312956 ZINC26569835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024746 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCC(F)F)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H53F4N5O6/c1-5-23(4)33(48)37(52)44-27(12-14-31(40)41)35(50)45-28(19-24-9-7-6-8-10-24)29(47)20-26(11-13-30(38)39)34(49)46-32(22(2)3)36(51)43-21-25-15-17-42-18-16-25/h6-10,15-18,22-23,26-33,47-48H,5,11-14,19-21H2,1-4H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)/t23-,26+,27-,28-,29-,32-,33-/m0/s1 VOAVHHOYQXKBTQ-LOMMXYNGSA-N 50137708 (S)-5-[(S)-5,5-Difluoro-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-pentanoylamino]-2-(3,3-difluoro-propyl)-4-(S)-hydroxy-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL432560 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318137 104027851 CHEMBL432560 ZINC26567146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50024747 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1 WWRRFQHCNOJJJP-CUTTXCQYSA-N 15799 CHEMBL81671::Macrocyclic BACE inhibitor 1::tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2003.09.085 10.7270/Q2H41S0J 14684336 Chen, SH; Lamar, J; Guo, D; Kohn, T; Yang, HC; McGee, J; Timm, D; Erickson, J; Yip, Y; May, P; McCarthy, J Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644687 46509465 CHEMBL81671 ZINC26492127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525124 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C19H18ClFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1 GAZOPRYFZALSHV-IBGZPJMESA-N 276786 3-chloro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-1,7-naphthyridin-8-amine::US10071998, Example 1 Beta-secretase 1 Homo sapiens 1.20 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435125 378158443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525126 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F InChI=1S/C19H18BrFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1 SOEUZVDUBKCDGB-IBGZPJMESA-N 276787 3-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-1,7-naphthyridin-8-amine::US10071998, Example 2 Beta-secretase 1 Homo sapiens 1.50 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435133 378158444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525128 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F InChI=1S/C18H17BrFN7O2S/c1-18(8-30(28,29)27(2)17(21)26-18)12-6-11(3-4-13(12)20)25-16-15-14(23-9-24-16)5-10(19)7-22-15/h3-7,9H,8H2,1-2H3,(H2,21,26)(H,23,24,25)/t18-/m0/s1 OQRKAIXNIOZZEN-SFHVURJKSA-N 276788 7-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}pyrido[3,2-d]pyrimidin-4-amine::US10071998, Example 3 Beta-secretase 1 Homo sapiens 2.80 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435137 378158445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525130 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1 InChI=1S/C20H21FN6O3S/c1-20(11-31(28,29)27(2)19(22)26-20)15-9-13(4-5-16(15)21)25-18-17-12(6-7-23-18)8-14(30-3)10-24-17/h4-10H,11H2,1-3H3,(H2,22,26)(H,23,25)/t20-/m0/s1 QBRFLMCPVOBSGI-FQEVSTJZSA-N 276789 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-3-methoxy-1,7-naphthyridin-8-amine::US10071998, Example 4 Beta-secretase 1 Homo sapiens 11.7 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435134 378158446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065382 CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1 InChI=1S/C34H56N6O8/c1-19(2)15-24(26(41)16-21(5)29(43)37-22(6)30(44)36-18-23-13-11-10-12-14-23)38-31(45)25(17-27(35)42)39-32(46)28(20(3)4)40-33(47)48-34(7,8)9/h10-14,19-22,24-26,28,41H,15-18H2,1-9H3,(H2,35,42)(H,36,44)(H,37,43)(H,38,45)(H,39,46)(H,40,47)/t21?,22?,24-,25?,26?,28-/m0/s1 MOLFRSZYCOAPEA-LZBFNTLVSA-N 50128040 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL65981 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305918 104019833 CHEMBL65981 ZINC34803820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065383 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(O)=O InChI=1S/C33H45F2N3O6/c1-4-14-38(15-5-2)33(44)25-11-9-10-24(19-25)32(43)37-28(18-22-16-26(34)21-27(35)17-22)29(39)20-23(6-3)31(42)36-13-8-7-12-30(40)41/h9-11,16-17,19,21,23,28-29,39H,4-8,12-15,18,20H2,1-3H3,(H,36,42)(H,37,43)(H,40,41)/t23-,28+,29+/m1/s1 ZKWKVFUBEDCLBE-MGONOCMRSA-N 16758 5-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]pentanoic acid::CHEMBL263260::Hydroxyethylene-Based Peptidomimetic Inhibitor, 8 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10282555 46509519 CHEMBL263260 ZINC14962131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065384 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065386 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1 InChI=1S/C30H49N5O7/c1-18(2)13-22(32-17-25(37)23(15-26(31)38)35-29(41)42-30(5,6)7)24(36)14-19(3)27(39)34-20(4)28(40)33-16-21-11-9-8-10-12-21/h8-12,18-20,22-24,32,36H,13-17H2,1-7H3,(H2,31,38)(H,33,40)(H,34,39)(H,35,41)/t19?,20?,22-,23-,24?/m0/s1 KLEAPGWLGBRJQD-DBOFUCIQSA-N 50152292 CHEMBL361667::{3-[(S)-4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylamino]-1-(S)-1-carbamoylmethyl-2-oxo-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 22423 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44394717 104040363 CHEMBL361667 ZINC28382322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065388 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H53N5O7/c1-19(2)14-23(34-18-26(39)24(16-27(33)40)36-31(43)44-32(6,7)8)25(38)15-21(5)29(41)37-28(20(3)4)30(42)35-17-22-12-10-9-11-13-22/h9-13,19-21,23-25,28,34,38H,14-18H2,1-8H3,(H2,33,40)(H,35,42)(H,36,43)(H,37,41)/t21?,23-,24-,25?,28?/m0/s1 QMIIETJQUSZXNX-MEKRLRAVSA-N 50152293 CHEMBL360828::{3-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylamino]-1-(S)-1-carbamoylmethyl-2-oxo-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 3134 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44394718 104040364 CHEMBL360828 ZINC28382984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065392 CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H54N4O8S/c1-20(2)15-24(33-18-27(38)25(19-45(9,42)43)35-31(41)44-32(6,7)8)26(37)16-22(5)29(39)36-28(21(3)4)30(40)34-17-23-13-11-10-12-14-23/h10-14,20-22,24-26,28,33,37H,15-19H2,1-9H3,(H,34,40)(H,35,41)(H,36,39)/t22?,24-,25-,26?,28?/m0/s1 KTWYKTCSOLBNMZ-ZTNSBTSDSA-N 50152295 CHEMBL183628::[3-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylamino]-1-((R)-methanesulfonylmethyl)-2-oxo-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 1129 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44394719 104040366 CHEMBL183628 ZINC28383008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065393 CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O7S/c1-21(2)17-26(38-32(44)27(20-49-11)39-34(46)30(23(5)6)41-35(47)48-36(8,9)10)28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24?,26-,27?,28?,29?,30-/m0/s1 MWJGDTZPZCVPJM-PBMXFAJYSA-N 50128032 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL65752 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305946 104019825 CHEMBL65752 ZINC34803834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065394 CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H54N4O6S/c1-20(2)17-25(34-29(39)24(15-16-43-9)35-31(41)42-32(6,7)8)26(37)18-22(5)28(38)36-27(21(3)4)30(40)33-19-23-13-11-10-12-14-23/h10-14,20-22,24-27,37H,15-19H2,1-9H3,(H,33,40)(H,34,39)(H,35,41)(H,36,38)/t22?,24?,25-,26?,27?/m0/s1 QFTDPCREZCGEQF-SVIXXHIISA-N 50128039 CHEMBL66595::{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester::{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 5808 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305543 104019832 CHEMBL66595 ZINC34803827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065397 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccccc1 InChI=1S/C35H43F2N3O4/c1-4-15-40(16-5-2)35(44)28-14-10-13-27(20-28)34(43)39-31(19-25-17-29(36)22-30(37)18-25)32(41)21-26(6-3)33(42)38-23-24-11-8-7-9-12-24/h7-14,17-18,20,22,26,31-32,41H,4-6,15-16,19,21,23H2,1-3H3,(H,38,42)(H,39,43)/t26-,31+,32+/m1/s1 CERYXSCNSXHXDY-GWTOPCPNSA-N 16764 3-N-[(2S,3S,5R)-5-(benzylcarbamoyl)-1-(3,5-difluorophenyl)-5-ethyl-3-hydroxypentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL43962::Hydroxyethylene-Based Peptidomimetic Inhibitor, 14 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10121628 46509523 CHEMBL43962 ZINC14962140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065401 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O InChI=1S/C31H41F2N3O6/c1-4-12-36(13-5-2)31(42)23-9-7-8-22(17-23)30(41)35-26(16-20-14-24(32)19-25(33)15-20)27(37)18-21(6-3)29(40)34-11-10-28(38)39/h7-9,14-15,17,19,21,26-27,37H,4-6,10-13,16,18H2,1-3H3,(H,34,40)(H,35,41)(H,38,39)/t21-,26+,27+/m1/s1 IQPUAQWXFYEAKS-AIGMYPEUSA-N 16756 3-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropylcarbamoyl)phenyl]formamido}-2-ethyl-4-hydroxyhexanamido]propanoic acid::CHEMBL295996::Hydroxyethylene-Based Peptidomimetic Inhibitor, 6 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10167359 46516976 CHEMBL295996 ZINC14962124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065402 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)OC)OC InChI=1S/C36H51F2N3O6/c1-6-12-41(13-7-2)36(45)26-11-9-10-25(17-26)35(44)40-32(16-23-14-27(37)19-28(38)15-23)33(42)18-24(8-3)34(43)39-29-20-30(46-4)22-31(21-29)47-5/h9-11,14-15,17,19,24,29-33,42H,6-8,12-13,16,18,20-22H2,1-5H3,(H,39,43)(H,40,44)/t24-,29-,30+,31-,32+,33+/m1/s1 PELCHZGPMNNYHX-HMHRWXBJSA-N 16763 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-5-{[(1R,3R,5S)-3,5-dimethoxycyclohexyl]carbamoyl}-5-ethyl-3-hydroxypentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL295109::Hydroxyethylene-Based Peptidomimetic Inhibitor, 13 Beta-secretase 1 Homo sapiens 6600 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11354322 46516510 CHEMBL295109 ZINC29391167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065404 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)C[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C45H70N6O15/c1-23(2)17-31(48-43(63)33(22-38(58)59)50-42(62)32(18-24(3)4)49-41(61)29(46)13-15-36(54)55)34(52)19-26(7)40(60)51-39(25(5)6)44(64)47-30(14-16-37(56)57)35(53)21-28(45(65)66)20-27-11-9-8-10-12-27/h8-12,23-26,28-34,39,52H,13-22,46H2,1-7H3,(H,47,64)(H,48,63)(H,49,61)(H,50,62)(H,51,60)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t26-,28-,29+,30+,31+,32+,33+,34+,39+/m1/s1 RFHHMZVETCSUCO-JKPDIIBZSA-N 50152290 (2R,5S)-5-[(S)-2-((2R,4S,5S)-5-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-3-carboxy-propionylamino}-4-hydroxy-2,7-dimethyl-octanoylamino)-3-methyl-butyrylamino]-2-benzyl-4-oxo-octanedioic acid::CHEMBL183214 Beta-secretase 1 Homo sapiens 0.32 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44394812 104040361 CHEMBL183214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065405 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30?,31-/m0/s1 OTAKXFOXYSLTCG-SIGMNKRFSA-N 50128033 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL293611 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305868 104019826 CHEMBL293611 ZINC34803798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065408 CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O9S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-52(11,49)50)39-35(47)31(24(5)6)42-36(48)51-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30?,31-/m0/s1 ZPHIGADCEJRCRP-SIGMNKRFSA-N 50128038 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methanesulfonyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methanesulfonyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL440490 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305867 104019831 CHEMBL440490 ZINC34803812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065412 CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H60N6O8/c1-20(2)16-25(27(43)17-23(7)31(45)41-29(21(3)4)33(47)38-19-24-14-12-11-13-15-24)39-32(46)26(18-28(37)44)40-34(48)30(22(5)6)42-35(49)50-36(8,9)10/h11-15,20-23,25-27,29-30,43H,16-19H2,1-10H3,(H2,37,44)(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)/t23?,25-,26?,27?,29?,30-/m0/s1 VBXFKHHFSHCRHR-DVGSSWORSA-N 50128035 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL304010 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305870 104019828 CHEMBL304010 ZINC34803791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065418 CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O9S/c1-21(2)17-26(28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25)38-32(44)27(20-51(11,48)49)39-34(46)30(23(5)6)41-35(47)50-36(8,9)10/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24?,26-,27?,28?,29?,30-/m0/s1 HQRXSCRNSOFDNU-PBMXFAJYSA-N 50128042 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL294274 Beta-secretase 1 Homo sapiens 9.4 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305869 104019835 CHEMBL294274 ZINC34803803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50065422 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CCC(CC1)C(O)=O InChI=1S/C36H49F2N3O6/c1-4-14-41(15-5-2)35(45)28-9-7-8-27(19-28)34(44)40-31(18-24-16-29(37)21-30(38)17-24)32(42)20-25(6-3)33(43)39-22-23-10-12-26(13-11-23)36(46)47/h7-9,16-17,19,21,23,25-26,31-32,42H,4-6,10-15,18,20,22H2,1-3H3,(H,39,43)(H,40,44)(H,46,47)/t23-,25-,26?,31+,32+/m1/s1 YRTFQCVTZROZMF-SZZTTZGWSA-N 50152294 4-[5-(3,5-difluorophenyl)-4-(3-dipropylcarbamoylphenylcarboxamido)-1-ethyl-3-hydroxypentylcarboxamidomethyl]-1-cyclohexanecarboxylic acid::CHEMBL364406 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2004.07.044 10.7270/Q2M32WJX 15341936 Rajamani, R; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9809811 104040365 CHEMBL364406 ZINC28380629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064659 C(CN1CCCCC1)C1CCc2cc(OCc3ccc(cc3)-c3ccccc3)ccc2C1 InChI=1S/C30H35NO/c1-3-7-26(8-4-1)27-12-10-25(11-13-27)23-32-30-16-15-28-21-24(9-14-29(28)22-30)17-20-31-18-5-2-6-19-31/h1,3-4,7-8,10-13,15-16,22,24H,2,5-6,9,14,17-21,23H2 ICEDUXJQWPWGLP-UHFFFAOYSA-N 50134703 1-{2-[6-(Biphenyl-4-ylmethoxy)-1,2,3,4-tetrahydro-naphthalen-2-yl]-ethyl}-piperidine::CHEMBL142715 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9868950 104025251 CHEMBL142715 ZINC27523752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064660 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 OTAKXFOXYSLTCG-KNSFHFJMSA-N 16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212352 46516094 CHEMBL290001 ZINC26176801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064661 COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(O)c2ccccc2-c2ccccc2)C(C)C)cc(c1)C(=O)OC InChI=1S/C40H41F2N3O9/c1-22(2)35(37(49)43-29-18-25(39(51)53-3)17-26(19-29)40(52)54-4)45-34(47)21-33(46)32(16-23-14-27(41)20-28(42)15-23)44-38(50)36(48)31-13-9-8-12-30(31)24-10-6-5-7-11-24/h5-15,17-20,22,32-33,35-36,46,48H,16,21H2,1-4H3,(H,43,49)(H,44,50)(H,45,47)/t32-,33-,35-,36?/m0/s1 JRFGPYJALXEIOO-QHPGBCHASA-N 50134705 5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-(3,5-difluoro-phenyl)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid dimethyl ester::CHEMBL143687 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44361152 104025253 CHEMBL143687 ZINC95557962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064662 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C38H37F2N3O9/c1-20(2)33(35(47)41-27-16-23(37(49)50)15-24(17-27)38(51)52)43-32(45)19-31(44)30(14-21-12-25(39)18-26(40)13-21)42-36(48)34(46)29-11-7-6-10-28(29)22-8-4-3-5-9-22/h3-13,15-18,20,30-31,33-34,44,46H,14,19H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,49,50)(H,51,52)/t30-,31-,33-,34?/m0/s1 CHXMXMUUGTWIEN-MWTDYXJASA-N 50134706 5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-(3,5-difluoro-phenyl)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid::CHEMBL143239 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44361151 104025254 CHEMBL143239 ZINC27523733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064663 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H67N7O12S/c1-22(2)19-30(47-39(57)29(17-18-62-9)46-41(59)35(23(3)4)44-26(8)50)32(51)21-33(52)49-36(24(5)6)40(58)43-25(7)37(55)45-28(15-16-34(53)54)38(56)48-31(42(60)61)20-27-13-11-10-12-14-27/h10-14,22-25,28-32,35-36,51H,15-21H2,1-9H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,49,52)(H,53,54)(H,60,61)/t25-,28-,29-,30-,31-,32-,35-,36-/m0/s1 IUBJRDXEGAYCQB-VZVVEHFOSA-N 50127427 (S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylamino-3-(S)-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-1-oxo-heptylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::(S)-4-[2-((S)-2-{(S)-4-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-4-((S)-methylsulfanyl)-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-(S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL51386 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11018389 104019318 CHEMBL51386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064664 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C38H37F2N3O9/c1-20(2)33(35(47)41-27-16-23(37(49)50)15-24(17-27)38(51)52)43-32(45)19-31(44)30(14-21-12-25(39)18-26(40)13-21)42-36(48)34(46)29-11-7-6-10-28(29)22-8-4-3-5-9-22/h3-13,15-18,20,30-31,33-34,44,46H,14,19H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,49,50)(H,51,52)/t30-,31-,33-,34?/m0/s1 CHXMXMUUGTWIEN-MWTDYXJASA-N 50134706 5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-(3,5-difluoro-phenyl)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid::CHEMBL143239 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44361151 104025254 CHEMBL143239 ZINC27523733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064665 COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(O)c2ccccc2-c2ccccc2)C(C)C)cc(c1)C(=O)OC InChI=1S/C40H41F2N3O9/c1-22(2)35(37(49)43-29-18-25(39(51)53-3)17-26(19-29)40(52)54-4)45-34(47)21-33(46)32(16-23-14-27(41)20-28(42)15-23)44-38(50)36(48)31-13-9-8-12-30(31)24-10-6-5-7-11-24/h5-15,17-20,22,32-33,35-36,46,48H,16,21H2,1-4H3,(H,43,49)(H,44,50)(H,45,47)/t32-,33-,35-,36?/m0/s1 JRFGPYJALXEIOO-QHPGBCHASA-N 50134705 5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-(3,5-difluoro-phenyl)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid dimethyl ester::CHEMBL143687 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44361152 104025253 CHEMBL143687 ZINC95557962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064666 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50064667 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN)C(O)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C74H121N15O26S/c1-12-39(9)60(88-68(108)46(24-28-57(100)101)79-64(104)44(22-26-55(96)97)81-73(113)61(51(91)13-2)89-63(103)42(76)20-17-30-75)72(112)85-50(35-90)69(109)80-45(23-27-56(98)99)67(107)87-59(38(7)8)71(111)82-47(29-31-116-11)66(106)83-48(32-36(3)4)52(92)34-53(93)86-58(37(5)6)70(110)77-40(10)62(102)78-43(21-25-54(94)95)65(105)84-49(74(114)115)33-41-18-15-14-16-19-41/h14-16,18-19,36-40,42-52,58-61,90-92H,12-13,17,20-35,75-76H2,1-11H3,(H,77,110)(H,78,102)(H,79,104)(H,80,109)(H,81,113)(H,82,111)(H,83,106)(H,84,105)(H,85,112)(H,86,93)(H,87,107)(H,88,108)(H,89,103)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t39-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51?,52-,58-,59-,60-,61-/m0/s1 ZIVRSWJPPHKZJC-HJCHEEGASA-N 50134704 CHEMBL2370886::Peptide BACE derivative Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm030247h 10.7270/Q2PR7VCB 14561080 John, V; Beck, JP; Bienkowski, MJ; Sinha, S; Heinrikson, RL Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73356167 104025252 CHEMBL2370886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066991 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 InChI=1S/C20H18BrN3O3/c21-13-5-6-16(24-9-7-22-8-10-24)15(11-13)23-20(26)19-12-17(25)14-3-1-2-4-18(14)27-19/h1-6,11-12,22H,7-10H2,(H,23,26) FTIULOUIXJDGBN-UHFFFAOYSA-N 50180396 4-Oxo-4H-chromene-2-carboxylic acid (5-bromo-2-piperazin-1-yl-phenyl)-amide trifluoro-acetic acid::CHEMBL381272 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410069 104065476 CHEMBL381272 ZINC34803867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066992 Brc1ccc(N2CCN(CC2)S(=O)(=O)c2cccs2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 InChI=1S/C24H20BrN3O5S2/c25-16-7-8-19(27-9-11-28(12-10-27)35(31,32)23-6-3-13-34-23)18(14-16)26-24(30)22-15-20(29)17-4-1-2-5-21(17)33-22/h1-8,13-15H,9-12H2,(H,26,30) IRPSTPKMLHWXSQ-UHFFFAOYSA-N 50180399 CHEMBL206097::N-(5-bromo-2-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-4-oxo-4H-chromene-2-carboxamide Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410070 104065479 CHEMBL206097 ZINC34803872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066993 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C27H24BrN3O3/c28-21-10-11-24(31-14-12-30(13-15-31)18-19-6-2-1-3-7-19)23(17-21)29-26(32)22-16-20-8-4-5-9-25(20)34-27(22)33/h1-11,16-17H,12-15,18H2,(H,29,32) RVLRVRRSGYQIIQ-UHFFFAOYSA-N 16740 CHEMBL206442::Coumarin Compound, 9c::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 760 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11699253 46516960 CHEMBL206442 ZINC14962061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066994 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc(=O)c2ccccc2o1 InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)19-9-8-16(26)14-18(19)27-23(31)22-15-20(30)17-6-4-5-7-21(17)33-22/h4-9,14-15H,10-13H2,1-3H3,(H,27,31) XMMPFXOFBISRAW-UHFFFAOYSA-N 50180398 CHEMBL206665::tert-butyl 4-(4-bromo-2-(4-oxo-4H-chromene-2-carboxamido)phenyl)piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410285 104065478 CHEMBL206665 ZINC34803861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066995 Brc1ccc(N2CCNCC2)c(NC(=O)c2ccc3ccccc3n2)c1 InChI=1S/C20H19BrN4O/c21-15-6-8-19(25-11-9-22-10-12-25)18(13-15)24-20(26)17-7-5-14-3-1-2-4-16(14)23-17/h1-8,13,22H,9-12H2,(H,24,26) OIROQWCVWZKKQT-UHFFFAOYSA-N 50180392 CHEMBL377745::quinoline-2-carboxylic acid (5-bromo-2-piperazin-1-yl-phenyl)-amide trifluoro-acetic acid Beta-secretase 1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410123 104065472 CHEMBL377745 ZINC34803845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066996 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C20H18BrN3O3/c21-14-5-6-17(24-9-7-22-8-10-24)16(12-14)23-19(25)15-11-13-3-1-2-4-18(13)27-20(15)26/h1-6,11-12,22H,7-10H2,(H,23,25) AYWFSFQSZQWRBS-UHFFFAOYSA-N 16741 2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide::CHEMBL1165089::CHEMBL381919::Coumarin Compound, 9d Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526737 46516961 CHEMBL381919CHEMBL1165089 ZINC14962065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066997 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12 InChI=1S/C28H26BrN3O4/c1-35-25-9-5-8-20-16-22(28(34)36-26(20)25)27(33)30-23-17-21(29)10-11-24(23)32-14-12-31(13-15-32)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,30,33) ZKEDQDYNSHAHAO-UHFFFAOYSA-N 16745 CHEMBL381617::Coumarin Compound, 10c::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 5500 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526803 46516965 CHEMBL381617 ZINC14962081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066998 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33) BCYCHJAJECYNPU-UHFFFAOYSA-N 16725 CHEMBL380521::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3c Beta-secretase 1 Homo sapiens 5200 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11496999 46516945 CHEMBL380521 ZINC14961995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50066999 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12 InChI=1S/C26H28BrN3O6/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)20-9-8-17(27)15-19(20)28-23(31)18-14-16-6-5-7-21(34-4)22(16)35-24(18)32/h5-9,14-15H,10-13H2,1-4H3,(H,28,31) MRDWDHZSINJWSN-UHFFFAOYSA-N 16744 CHEMBL206854::Coumarin Compound, 10b::tert-butyl 4-{4-bromo-2-[(8-methoxy-2-oxo-2H-chromene-3-)amido]phenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526916 46516964 CHEMBL206854 ZINC14962077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067000 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)20-9-8-17(26)15-19(20)27-22(30)18-14-16-6-4-5-7-21(16)33-23(18)31/h4-9,14-15H,10-13H2,1-3H3,(H,27,30) NKNJPZKXSPBIFO-UHFFFAOYSA-N 16739 CHEMBL207083::Coumarin Compound, 9b::tert-butyl 4-{4-bromo-2-[(2-oxo-2H-chromene-3-)amido]phenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11512055 46516959 CHEMBL207083 ZINC14962057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067001 COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)S(=O)(=O)c3cccs3)cc(=O)oc2c1 InChI=1S/C26H24BrN3O6S2/c1-35-19-5-6-20-17(14-25(32)36-23(20)16-19)13-24(31)28-21-15-18(27)4-7-22(21)29-8-10-30(11-9-29)38(33,34)26-3-2-12-37-26/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31) WJDUMPCDCRWBCS-UHFFFAOYSA-N 50180395 CHEMBL205637::N-(5-bromo-2-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamide Beta-secretase 1 Homo sapiens 1130 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410282 104065475 CHEMBL205637 ZINC34803857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067002 Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26) SWKYODCETJXWLS-UHFFFAOYSA-N 16726 CHEMBL203120::N-[5-bromo-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3d Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11531641 46516946 CHEMBL203120 ZINC14961999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067003 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1ccc2ccccc2n1 InChI=1S/C25H27BrN4O3/c1-25(2,3)33-24(32)30-14-12-29(13-15-30)22-11-9-18(26)16-21(22)28-23(31)20-10-8-17-6-4-5-7-19(17)27-20/h4-11,16H,12-15H2,1-3H3,(H,28,31) QYBTVQFLHGVCEP-UHFFFAOYSA-N 50180391 CHEMBL206651::tert-butyl 4-(4-bromo-2-(quinoline-2-carboxamido)phenyl)piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410174 104065471 CHEMBL206651 ZINC34803849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067004 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12 InChI=1S/C21H20BrN3O4/c1-28-18-4-2-3-13-11-15(21(27)29-19(13)18)20(26)24-16-12-14(22)5-6-17(16)25-9-7-23-8-10-25/h2-6,11-12,23H,7-10H2,1H3,(H,24,26) VFYUOROBPBKAFN-UHFFFAOYSA-N 16746 2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide::CHEMBL1165583::CHEMBL206557::Coumarin Compound, 10d Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621130 46516966 CHEMBL1165583CHEMBL206557 ZINC14962084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067005 COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCNCC3)cc(=O)oc2c1 InChI=1S/C22H22BrN3O4/c1-29-16-3-4-17-14(11-22(28)30-20(17)13-16)10-21(27)25-18-12-15(23)2-5-19(18)26-8-6-24-7-9-26/h2-5,11-13,24H,6-10H2,1H3,(H,25,27) RQDAAYWTBIKSSA-UHFFFAOYSA-N 50180394 CHEMBL205241::N-(5-bromo-2-piperazin-1-yl-phenyl)-2-(7-methoxy-2-oxo-2H-chromen-4-yl)-acetamide trifluoro-acetic acid Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410240 104065474 CHEMBL205241 ZINC34803851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067006 COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1 InChI=1S/C27H30BrN3O6/c1-27(2,3)37-26(34)31-11-9-30(10-12-31)22-8-5-18(28)15-21(22)29-24(32)13-17-14-25(33)36-23-16-19(35-4)6-7-20(17)23/h5-8,14-16H,9-13H2,1-4H3,(H,29,32) KUNNCARPSRPUPW-UHFFFAOYSA-N 50180393 CHEMBL205309::tert-butyl 4-(4-bromo-2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido)phenyl)piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15949752 104065473 CHEMBL205309 ZINC34803855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50067007 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 InChI=1S/C26H28BrN3O3/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)23-12-11-19(27)17-22(23)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,13-16H2,1-3H3,(H,28,31) YJJFMJAXEJFWKZ-UHFFFAOYSA-N 16724 CHEMBL381618::Naphthyl Compound, 3b::tert-butyl 4-[4-bromo-2-(naphthalene-1-amido)phenyl]piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2005.12.064 10.7270/Q29W0F2N 16412632 Garino, C; Pietrancosta, N; Laras, Y; Moret, V; Rolland, A; Quelever, G; Kraus, JL University of the Mediterranean http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11569760 46516944 CHEMBL381618 ZINC14961992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074119 COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C35H43N3O5/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40) ZGZSZRMYJSHPOQ-UHFFFAOYSA-N 50380542 CHEMBL2019037 Beta-secretase 1 Homo sapiens 620 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954986 160859625 CHEMBL2019037 ZINC84596672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074120 COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C34H41N3O5/c1-41-23-20-28(38)32-29(39)22-31(42-30(32)21-23)34(40)36-19-13-7-5-3-2-4-6-12-18-35-33-24-14-8-10-16-26(24)37-27-17-11-9-15-25(27)33/h8,10,14,16,20-22,38H,2-7,9,11-13,15,17-19H2,1H3,(H,35,37)(H,36,40) RRTQIJJHXQOLEO-UHFFFAOYSA-N 50380545 CHEMBL2019046 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955109 160859628 CHEMBL2019046 ZINC84617324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074121 Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H39N3O5/c37-22-19-27(38)31-28(39)21-30(41-29(31)20-22)33(40)35-18-12-6-4-2-1-3-5-11-17-34-32-23-13-7-9-15-25(23)36-26-16-10-8-14-24(26)32/h7,9,13,15,19-21,37-38H,1-6,8,10-12,14,16-18H2,(H,34,36)(H,35,40) VXCQEWKLZIACMS-UHFFFAOYSA-N 50380546 CHEMBL2019047 Beta-secretase 1 Homo sapiens 1060 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955111 160859629 CHEMBL2019047 ZINC84617326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074122 COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C34H40ClN3O4/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40) SXRQIJKFEIRDFT-UHFFFAOYSA-N 50380552 CHEMBL2019035 Beta-secretase 1 Homo sapiens 4230 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954891 160859635 CHEMBL2019035 ZINC84619770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074123 Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C33H38ClN3O5/c34-21-13-14-23-26(17-21)37-25-12-8-7-11-22(25)32(23)35-15-9-5-3-1-2-4-6-10-16-36-33(41)31-19-27(38)24-18-28(39)29(40)20-30(24)42-31/h13-14,17-20,39-40H,1-12,15-16H2,(H,35,37)(H,36,41) VNWJCXLTKRADKP-UHFFFAOYSA-N 50380547 CHEMBL2019053 Beta-secretase 1 Homo sapiens 13600 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955293 160859630 CHEMBL2019053 ZINC84633300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074124 COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C34H41N3O5/c1-41-23-20-28(38)32-29(39)22-31(42-30(32)21-23)34(40)36-19-13-7-5-3-2-4-6-12-18-35-33-24-14-8-10-16-26(24)37-27-17-11-9-15-25(27)33/h8,10,14,16,20-22,38H,2-7,9,11-13,15,17-19H2,1H3,(H,35,37)(H,36,40) RRTQIJJHXQOLEO-UHFFFAOYSA-N 50380545 CHEMBL2019046 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955109 160859628 CHEMBL2019046 ZINC84617324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074126 COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C35H43N3O5/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40) ZGZSZRMYJSHPOQ-UHFFFAOYSA-N 50380542 CHEMBL2019037 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954986 160859625 CHEMBL2019037 ZINC84596672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074128 Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C33H38ClN3O5/c34-21-13-14-23-26(17-21)37-25-12-8-7-11-22(25)32(23)35-15-9-5-3-1-2-4-6-10-16-36-33(41)31-19-27(38)24-18-28(39)29(40)20-30(24)42-31/h13-14,17-20,39-40H,1-12,15-16H2,(H,35,37)(H,36,41) VNWJCXLTKRADKP-UHFFFAOYSA-N 50380547 CHEMBL2019053 Beta-secretase 1 Homo sapiens 3990 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955293 160859630 CHEMBL2019053 ZINC84633300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074129 Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H39N3O5/c37-22-19-27(38)31-28(39)21-30(41-29(31)20-22)33(40)35-18-12-6-4-2-1-3-5-11-17-34-32-23-13-7-9-15-25(23)36-26-16-10-8-14-24(26)32/h7,9,13,15,19-21,37-38H,1-6,8,10-12,14,16-18H2,(H,34,36)(H,35,40) VXCQEWKLZIACMS-UHFFFAOYSA-N 50380546 CHEMBL2019047 Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955111 160859629 CHEMBL2019047 ZINC84617326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074130 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H60N8O14/c1-18(2)12-24(43-36(57)25(16-29(41)49)45-38(59)32(19(3)4)47-35(56)23(40)15-30(50)51)28(48)13-20(5)33(54)42-21(6)34(55)44-26(17-31(52)53)37(58)46-27(39(60)61)14-22-10-8-7-9-11-22/h7-11,18-21,23-28,32,48H,12-17,40H2,1-6H3,(H2,41,49)(H,42,54)(H,43,57)(H,44,55)(H,45,59)(H,46,58)(H,47,56)(H,50,51)(H,52,53)(H,60,61)/t20-,21+,23+,24+,25+,26+,27+,28+,32+/m1/s1 JCNFYXCBSRPSLY-QYTLZHMISA-N 50380548 CHEMBL2019055 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 206031 160859631 CHEMBL2019055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074131 COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C34H40ClN3O4/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40) SXRQIJKFEIRDFT-UHFFFAOYSA-N 50380552 CHEMBL2019035 Beta-secretase 1 Homo sapiens 14400 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954891 160859635 CHEMBL2019035 ZINC84619770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074132 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H60N8O14/c1-18(2)12-24(43-36(57)25(16-29(41)49)45-38(59)32(19(3)4)47-35(56)23(40)15-30(50)51)28(48)13-20(5)33(54)42-21(6)34(55)44-26(17-31(52)53)37(58)46-27(39(60)61)14-22-10-8-7-9-11-22/h7-11,18-21,23-28,32,48H,12-17,40H2,1-6H3,(H2,41,49)(H,42,54)(H,43,57)(H,44,55)(H,45,59)(H,46,58)(H,47,56)(H,50,51)(H,52,53)(H,60,61)/t20-,21+,23+,24+,25+,26+,27+,28+,32+/m1/s1 JCNFYXCBSRPSLY-QYTLZHMISA-N 50380548 CHEMBL2019055 Beta-secretase 1 Homo sapiens 9.7 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 206031 160859631 CHEMBL2019055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074134 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N 7458 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::Apigenin::Apigenin (2)::Apigenin (3)::Apigenin (7)::Apigenin, 13::CHEMBL28::Naringenin, 18::US10278929, Apigenin::US11337935, Compound Apigenin::acs.jmedchem.1c00409_ST.789::cid_5280443::jm5b01461, Compound 90 Beta-secretase 1 Homo sapiens 38500 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AGI 4HKK,4DGM,5I2H,5AUV,4DER,7D3A,3AMY,4WO0,3CF9,5UQT 5280443 11108249 18388 CHEMBL28 DB07352 4136 C01477 ZINC03871576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074135 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N 7458 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::Apigenin::Apigenin (2)::Apigenin (3)::Apigenin (7)::Apigenin, 13::CHEMBL28::Naringenin, 18::US10278929, Apigenin::US11337935, Compound Apigenin::acs.jmedchem.1c00409_ST.789::cid_5280443::jm5b01461, Compound 90 Beta-secretase 1 Homo sapiens 11310 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AGI 4HKK,4DGM,5I2H,5AUV,4DER,7D3A,3AMY,4WO0,3CF9,5UQT 5280443 11108249 18388 CHEMBL28 DB07352 4136 C01477 ZINC03871576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074136 Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H39N3O4/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39) GQYKIJZPMPGPIM-UHFFFAOYSA-N 50380544 CHEMBL2019043 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955099 160859627 CHEMBL2019043 ZINC84619626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074137 COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C35H43N3O5/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40) QDCAJVSXNYAGPD-UHFFFAOYSA-N 50380543 CHEMBL2019040 Beta-secretase 1 Homo sapiens 880 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954989 160859626 CHEMBL2019040 ZINC84617227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074138 Clc1ccc2c(NCCCCCCCCCCNC(=O)c3cc(=O)c4ccccc4o3)c3CCCCc3nc2c1 InChI=1S/C33H38ClN3O3/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39) PLKUANBZKFHKND-UHFFFAOYSA-N 50380541 CHEMBL2019032 Beta-secretase 1 Homo sapiens 22400 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954888 160859624 CHEMBL2019032 ZINC84631954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074139 Clc1ccc2c(NCCCCCCCCCCNC(=O)c3cc(=O)c4ccccc4o3)c3CCCCc3nc2c1 InChI=1S/C33H38ClN3O3/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39) PLKUANBZKFHKND-UHFFFAOYSA-N 50380541 CHEMBL2019032 Beta-secretase 1 Homo sapiens 6580 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954888 160859624 CHEMBL2019032 ZINC84631954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074140 Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H39N3O4/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39) GQYKIJZPMPGPIM-UHFFFAOYSA-N 50380544 CHEMBL2019043 Beta-secretase 1 Homo sapiens 820 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56955099 160859627 CHEMBL2019043 ZINC84619626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50074141 COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C35H43N3O5/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40) QDCAJVSXNYAGPD-UHFFFAOYSA-N 50380543 CHEMBL2019040 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm201460y 10.7270/Q2M32WS2 22243648 Fernandez-Bachiller, MI; Perez, C; Monjas, L; Rademann, J; Rodriguez-Franco, MI Instituto de Qu£mica M£dica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56954989 160859626 CHEMBL2019040 ZINC84617227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076434 CO[C@H]1CC[C@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H26FN3O/c1-3-4-17-11-20(16-29-15-17)18-5-6-19-13-25(9-7-21(31-2)8-10-25)26(22(19)12-18)14-23(27)24(28)30-26/h5-6,11-12,14-16,21H,7-10,13H2,1-2H3,(H2,28,30)/t21-,25+,26? FQNMTDWTQKFWEO-OILLYGADSA-N 50005019 CHEMBL2408785::US9650336, Example 4 Beta-secretase 1 Homo sapiens 258 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71548079 103918566 CHEMBL2408785 ZINC05421995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076435 CC1(C)Cc2ccc(cc2C11C=C(F)C(N)=N1)-c1cncnc1 InChI=1S/C18H17FN4/c1-17(2)6-12-4-3-11(13-8-21-10-22-9-13)5-14(12)18(17)7-15(19)16(20)23-18/h3-5,7-10H,6H2,1-2H3,(H2,20,23) ORILNYIQHJPETP-UHFFFAOYSA-N 50005020 CHEMBL2408784::US9650336, Example 9 Beta-secretase 1 Homo sapiens 3790 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550203 103918567 CHEMBL2408784 ZINC13455159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076436 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H26FN3O/c1-3-4-17-11-20(16-29-15-17)18-5-6-19-13-25(9-7-21(31-2)8-10-25)26(22(19)12-18)14-23(27)24(28)30-26/h5-6,11-12,14-16,21H,7-10,13H2,1-2H3,(H2,28,30)/t21-,25-,26? FQNMTDWTQKFWEO-AHQGXOPPSA-N 50005021 CHEMBL2408786::US9650336, Example 3 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71548079 103918568 CHEMBL2408786 ZINC06091303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076437 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H26FN3O/c1-3-4-17-11-20(16-29-15-17)18-5-6-19-13-25(9-7-21(31-2)8-10-25)26(22(19)12-18)14-23(27)24(28)30-26/h5-6,11-12,14-16,21H,7-10,13H2,1-2H3,(H2,28,30)/t21-,25-,26? FQNMTDWTQKFWEO-AHQGXOPPSA-N 50005021 CHEMBL2408786::US9650336, Example 3 Beta-secretase 1 Homo sapiens 0.03 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71548079 103918568 CHEMBL2408786 ZINC06091303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076438 CO[C@H]1CC[C@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H26FN3O/c1-3-4-17-11-20(16-29-15-17)18-5-6-19-13-25(9-7-21(31-2)8-10-25)26(22(19)12-18)14-23(27)24(28)30-26/h5-6,11-12,14-16,21H,7-10,13H2,1-2H3,(H2,28,30)/t21-,25+,26? FQNMTDWTQKFWEO-OILLYGADSA-N 50005019 CHEMBL2408785::US9650336, Example 4 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71548079 103918566 CHEMBL2408785 ZINC05421995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076439 CC1(C)Cc2ccc(cc2C11C=C(F)C(N)=N1)-c1cncnc1 InChI=1S/C18H17FN4/c1-17(2)6-12-4-3-11(13-8-21-10-22-9-13)5-14(12)18(17)7-15(19)16(20)23-18/h3-5,7-10H,6H2,1-2H3,(H2,20,23) ORILNYIQHJPETP-UHFFFAOYSA-N 50005020 CHEMBL2408784::US9650336, Example 9 Beta-secretase 1 Homo sapiens 168 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550203 103918567 CHEMBL2408784 ZINC13455159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076440 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 InChI=1S/C22H23FN4O/c1-28-17-4-6-21(7-5-17)9-15-3-2-14(16-11-25-13-26-12-16)8-18(15)22(21)10-19(23)20(24)27-22/h2-3,8,10-13,17H,4-7,9H2,1H3,(H2,24,27)/t17-,21-,22? XCPNTAGKJZPLCP-JOECNLHFSA-N 50005022 CHEMBL2408787::US9650336, Example 1 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550071 103918569 CHEMBL2408787 ZINC13455187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50076441 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 InChI=1S/C22H23FN4O/c1-28-17-4-6-21(7-5-17)9-15-3-2-14(16-11-25-13-26-12-16)8-18(15)22(21)10-19(23)20(24)27-22/h2-3,8,10-13,17H,4-7,9H2,1H3,(H2,24,27)/t17-,21-,22? XCPNTAGKJZPLCP-JOECNLHFSA-N 50005022 CHEMBL2408787::US9650336, Example 1 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/ml400177y 10.7270/Q2BR8TP7 24900714 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71550071 103918569 CHEMBL2408787 ZINC13455187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083039 Fc1cccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)c1 InChI=1S/C24H17F4N3O4S/c25-16-3-1-2-14(10-16)12-30-23(33)20-13-29-21-9-8-18(11-19(21)22(20)32)36(34,35)31-17-6-4-15(5-7-17)24(26,27)28/h1-11,13,31H,12H2,(H,29,32)(H,30,33) FOTGDULRKKVQKR-UHFFFAOYSA-N 50005792 CHEMBL3236215 Beta-secretase 1 Homo sapiens 1850 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654956 103919217 CHEMBL3236215 ZINC17376080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083042 COc1ccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C25H20F3N3O5S/c1-36-18-8-2-15(3-9-18)13-30-24(33)21-14-29-22-11-10-19(12-20(22)23(21)32)37(34,35)31-17-6-4-16(5-7-17)25(26,27)28/h2-12,14,31H,13H2,1H3,(H,29,32)(H,30,33) CLNOVHQDJOWHGX-UHFFFAOYSA-N 50005820 CHEMBL3236216 Beta-secretase 1 Homo sapiens 7040 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654957 103919245 CHEMBL3236216 ZINC14952331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083048 COc1cccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)c1 InChI=1S/C25H20F3N3O5S/c1-36-18-4-2-3-15(11-18)13-30-24(33)21-14-29-22-10-9-19(12-20(22)23(21)32)37(34,35)31-17-7-5-16(6-8-17)25(26,27)28/h2-12,14,31H,13H2,1H3,(H,29,32)(H,30,33) LSHPEIAQUYWIQC-UHFFFAOYSA-N 50005832 CHEMBL3236217 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654958 103919257 CHEMBL3236217 ZINC29254603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083050 FC(F)(F)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)cc1 InChI=1S/C22H16F3N3O5S/c23-22(24,25)13-3-5-14(6-4-13)28-34(31,32)16-7-8-19-17(10-16)20(29)18(12-26-19)21(30)27-11-15-2-1-9-33-15/h1-10,12,28H,11H2,(H,26,29)(H,27,30) MVFYJBVXDKKCAN-UHFFFAOYSA-N 50005852 CHEMBL3236218 Beta-secretase 1 Homo sapiens 1610 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654959 103919277 CHEMBL3236218 ZINC29331509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083052 FC(F)(F)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1 InChI=1S/C23H22F3N3O4S/c24-23(25,26)14-6-8-16(9-7-14)29-34(32,33)17-10-11-20-18(12-17)21(30)19(13-27-20)22(31)28-15-4-2-1-3-5-15/h6-13,15,29H,1-5H2,(H,27,30)(H,28,31) BYPLJPLCHVCJPQ-UHFFFAOYSA-N 50005853 CHEMBL3236220 Beta-secretase 1 Homo sapiens 7180 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654960 103919278 CHEMBL3236220 ZINC29326991 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083055 Cc1ccccc1-c1ccc2[nH]cc(C(=O)NCc3cccc(c3)C(F)(F)F)c(=O)c2c1 InChI=1S/C25H19F3N2O2/c1-15-5-2-3-8-19(15)17-9-10-22-20(12-17)23(31)21(14-29-22)24(32)30-13-16-6-4-7-18(11-16)25(26,27)28/h2-12,14H,13H2,1H3,(H,29,31)(H,30,32) FDWHVVGTQPRVRJ-UHFFFAOYSA-N 50005857 CHEMBL3236224 Beta-secretase 1 Homo sapiens 6180 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654961 103919282 CHEMBL3236224 ZINC29326972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083056 Cc1ccccc1-c1ccc2[nH]cc(C(=O)NCc3cccc(Br)c3)c(=O)c2c1 InChI=1S/C24H19BrN2O2/c1-15-5-2-3-8-19(15)17-9-10-22-20(12-17)23(28)21(14-26-22)24(29)27-13-16-6-4-7-18(25)11-16/h2-12,14H,13H2,1H3,(H,26,28)(H,27,29) MHXQLOCUCIATKG-UHFFFAOYSA-N 50005858 CHEMBL3236225 Beta-secretase 1 Homo sapiens 1890 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86765151 103919283 CHEMBL3236225 ZINC29330763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50083057 Cc1ccccc1-c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1 InChI=1S/C23H24N2O2/c1-15-7-5-6-10-18(15)16-11-12-21-19(13-16)22(26)20(14-24-21)23(27)25-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,24,26)(H,25,27) PTDUUYDNKWVSGS-UHFFFAOYSA-N 50005861 CHEMBL3236228 Beta-secretase 1 Homo sapiens 11530 ChEMBL 10.1016/j.ejmech.2014.04.025 10.7270/Q2KS6T2X 24763262 Liu, P; Niu, Y; Wang, C; Sun, Q; Zhai, Y; Yu, J; Sun, J; Xu, F; Yan, G; Huang, W; Liang, L; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50005861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50005861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90654962 103919286 CHEMBL3236228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085901 Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C40H40ClN3O5.ClH/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45;/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49);1H QZFYDBYKVILCQC-UHFFFAOYSA-N 50007798 CHEMBL3233829 Beta-secretase 1 Homo sapiens 980 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655190 103921067 CHEMBL3233829 ZINC28758105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085902 Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H PCRYQUXVYSHFOZ-UHFFFAOYSA-N 50007799 CHEMBL3233830 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655191 103921068 CHEMBL3233830 ZINC28757681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085903 Cl.CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H/t24-,25+;/m1./s1 PCRYQUXVYSHFOZ-KGQXAQPSSA-N 50007800 CHEMBL3233831 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655192 103921069 CHEMBL3233831 ZINC13886748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085904 Cl.CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H/t24-,25+;/m0./s1 PCRYQUXVYSHFOZ-CLSOAGJSSA-N 50007801 CHEMBL3233832 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655193 103921070 CHEMBL3233832 ZINC03792554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085905 Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C42H44ClN3O5.ClH/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47;/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51);1H CSQQTKZIMMIEDI-UHFFFAOYSA-N 50007802 CHEMBL3234038 Beta-secretase 1 Homo sapiens 1190 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655195 103921071 CHEMBL3234038 ZINC28756909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085906 Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C43H46ClN3O5.ClH/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48;/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52);1H LCRUQWLFDXPNPA-UHFFFAOYSA-N 50007803 CHEMBL3234039 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655196 103921072 CHEMBL3234039 ZINC28758007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085907 Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 InChI=1S/C40H32ClN3O5.ClH/c1-20-11-23-13-24(12-20)34-31(14-23)44-30-17-26(41)9-10-27(30)37(34)42-18-21-5-7-22(8-6-21)19-43-40(49)25-15-29-36(33(46)16-25)39(48)35-28(38(29)47)3-2-4-32(35)45;/h2-11,15-17,23-24,45-46H,12-14,18-19H2,1H3,(H,42,44)(H,43,49);1H RIVZUMYSVIHQNG-UHFFFAOYSA-N 50007804 CHEMBL3234040 Beta-secretase 1 Homo sapiens 2020 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50007804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50007804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90655198 103921073 CHEMBL3234040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085908 CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m1/s1 UKCBMHDZLYYTMI-MNOVXSKESA-N 50379274 CHEMBL2011499::US9238626, (+)-Huprine Y HCl Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51026481 160858357 CHEMBL2011499 ZINC13835505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085909 CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1 UKCBMHDZLYYTMI-WDEREUQCSA-N 50379273 CHEMBL1994202::US9238626, (-)-Huprine Y HCl Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6712920 160858356 CHEMBL1994202 ZINC06041665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50085910 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 RQNDBCCGDQWADT-UHFFFAOYSA-N 50231951 2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL231160::memoquin Beta-secretase 1 Homo sapiens 108 ChEMBL 10.1021/jm401824w 10.7270/Q2FX7BZ9 24568372 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91615478 104055375 CHEMBL231160 ZINC34803904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093271 CN1C(N)=NC2(C1=O)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1)-c1cccnc1 InChI=1S/C26H19N5O2/c1-31-24(32)26(30-25(31)27)20-12-16(18-4-2-10-28-14-18)6-8-22(20)33-23-9-7-17(13-21(23)26)19-5-3-11-29-15-19/h2-15H,1H3,(H2,27,30) BXMSMHWFQQRFMZ-UHFFFAOYSA-N 50012614 CHEMBL3260838 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465113 103924867 CHEMBL3260838 ZINC26376165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093272 CN1C(N)=NC2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H16F3N5O2/c1-34-24(35)26(33-25(34)30)17-9-14(16-3-2-7-32-23(16)29)4-5-20(17)36-22-18(26)10-15(11-19(22)27)13-6-8-31-21(28)12-13/h2-12H,1H3,(H2,30,33) JCWKMXKBFBTZOR-UHFFFAOYSA-N 50012615 CHEMBL3260839 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656183 103924868 CHEMBL3260839 ZINC40447650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093273 COc1ccc2c(CCc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncnc2)c1C InChI=1S/C24H23N5O2/c1-14-18-7-6-15-4-5-16(17-11-26-13-27-12-17)10-20(15)24(19(18)8-9-21(14)31-3)22(30)29(2)23(25)28-24/h4-5,8-13H,6-7H2,1-3H3,(H2,25,28) AZBRBAZMRUMCGI-UHFFFAOYSA-N 50012616 CHEMBL3260840 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16725801 103924869 CHEMBL3260840 ZINC26376317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093274 CO[C@H]1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C25H26N4O2/c1-29-22(30)25(28-23(29)27)21-13-18(17-5-3-4-16(12-17)15-26)6-7-19(21)14-24(25)10-8-20(31-2)9-11-24/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,27,28)/t20-,24?,25? CQCYWEAFJHYRMA-KVWVKLNJSA-N 50012617 CHEMBL3260841 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197221 103924870 CHEMBL3260841 ZINC34802417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093275 COc1cccc(-c2cccc(c2)[C@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m1/s1 RECVUKARQVUVBY-XMMPIXPASA-N 50012627 CHEMBL3260842 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QN7 4ACU 90656184 103924880 CHEMBL3260842 ZINC29464392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093276 NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCF)c1 InChI=1S/C21H19F5N4O2/c22-8-9-31-16-3-1-2-14(10-16)21(13-4-6-15(7-5-13)32-18(23)24)17-28-11-20(25,26)12-30(17)19(27)29-21/h1-7,10,18H,8-9,11-12H2,(H2,27,29)/t21-/m1/s1 YMCAEGQLCUHXHN-OAQYLSRUSA-N 50012628 CHEMBL3261044 Beta-secretase 1 Homo sapiens 7.9 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656185 103924881 CHEMBL3261044 ZINC29411681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093277 CO[C@H]1CCC2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25?,26-/m0/s1 WKDNQONLGXOZRG-VOUYXJAQSA-N 50012629 CHEMBL3261045 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 103924882 CHEMBL3261045 ZINC29412056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093278 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 IJYPXSRDUPWKPB-SFHVURJKSA-N 50392835 CHEMBL2151181 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66575082 163341859 CHEMBL2151181 ZINC95571882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093279 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1 VKVMIZCLMUKTTA-KRWDZBQOSA-N 50012630 CHEMBL3259832 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111516 103924883 CHEMBL3259832 ZINC29463956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093280 C[C@]1(CCSC(N)=N1)c1ccccc1 InChI=1S/C11H14N2S/c1-11(7-8-14-10(12)13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13)/t11-/m0/s1 JLGLPAHFIFVDIC-NSHDSACASA-N 50012631 CHEMBL2396987 Beta-secretase 1 Homo sapiens 22000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59374749 103924884 CHEMBL2396987 ZINC29466280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093281 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093282 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093283 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093284 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cccn2)ccc1F InChI=1S/C19H18FN7OS/c1-19(5-8-29-18(21)26-19)13-9-12(3-4-14(13)20)25-17(28)15-10-23-16(11-22-15)27-7-2-6-24-27/h2-4,6-7,9-11H,5,8H2,1H3,(H2,21,26)(H,25,28)/t19-/m0/s1 OUKRQXJSFMAZTC-IBGZPJMESA-N 50012633 CHEMBL3261046 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59251000 103924886 CHEMBL3261046 ZINC29466277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093285 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F InChI=1S/C20H18F2N4OS/c1-20(6-7-28-19(23)26-20)14-10-13(3-4-15(14)22)24-18(27)17-9-11-8-12(21)2-5-16(11)25-17/h2-5,8-10,25H,6-7H2,1H3,(H2,23,26)(H,24,27)/t20-/m0/s1 GARAICGSKAAZGK-FQEVSTJZSA-N 50012634 CHEMBL3261047 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250968 103924887 CHEMBL3261047 ZINC00424602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093286 C[C@]1(CCSC(N)=N1)c1cc(Nc2ncccc2Cl)ccc1F InChI=1S/C16H16ClFN4S/c1-16(6-8-23-15(19)22-16)11-9-10(4-5-13(11)18)21-14-12(17)3-2-7-20-14/h2-5,7,9H,6,8H2,1H3,(H2,19,22)(H,20,21)/t16-/m0/s1 BIOUZBMWTGHMJN-INIZCTEOSA-N 50012635 CHEMBL3261048 Beta-secretase 1 Homo sapiens 83 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53235196 103924888 CHEMBL3261048 ZINC29411420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093288 COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H19FN4OS/c1-17(7-9-24-16(19)22-17)12-10-11(5-6-13(12)18)21-15-14(23-2)4-3-8-20-15/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22)(H,20,21)/t17-/m0/s1 GJSVSOBTRSXEFT-KRWDZBQOSA-N 50012636 CHEMBL3261049 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68307473 103924889 CHEMBL3261049 ZINC29465914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093289 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@@]1(CSC(N)=N1)C1CCCCC1 InChI=1S/C21H25N5O2S/c1-28-18-12-23-17(11-24-18)19(27)25-16-9-5-8-15(10-16)21(13-29-20(22)26-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,26)(H,25,27)/t21-/m1/s1 NPHZTQGJWPDARN-OAQYLSRUSA-N 50012637 CHEMBL3261050 Beta-secretase 1 Homo sapiens 514 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656186 103924890 CHEMBL3261050 ZINC29411684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093290 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093291 C[C@@]1(N=C(N)O[C@@H]2CC(F)(F)C[C@H]12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-20(14-7-21(23,24)8-17(14)31-19(26)29-20)13-6-12(3-4-15(13)22)28-18(30)16-5-2-11(9-25)10-27-16/h2-6,10,14,17H,7-8H2,1H3,(H2,26,29)(H,28,30)/t14-,17+,20+/m0/s1 MCSRMJYZOOAQPY-JNAXZKDPSA-N 50012638 CHEMBL3261052 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71516860 103924891 CHEMBL3261052 ZINC29414221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093292 NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24)/t12-,18-/m1/s1 WQDXYYJHDFSNIX-KZULUSFZSA-N 50428343 CHEMBL2331708 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183951 164157218 CHEMBL2331708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093293 NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1 COCAUCFPFHUGAA-MGNBDDOMSA-N 50428340 CHEMBL2331712 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71202307 164157215 CHEMBL2331712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093294 NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C19H17N5OS/c20-10-12-4-5-16(22-11-12)17(25)23-15-3-1-2-13(8-15)19-9-14(19)6-7-26-18(21)24-19/h1-5,8,11,14H,6-7,9H2,(H2,21,24)(H,23,25)/t14-,19-/m1/s1 XEVKKTZIPHIWIU-AUUYWEPGSA-N 50012639 CHEMBL3261053 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183876 103924892 CHEMBL3261053 ZINC29416154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093295 NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1 WTFJZOZDEFATIG-BLVKFPJESA-N 50428341 CHEMBL2331713 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183925 164157216 CHEMBL2331713 ZINC95590293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093308 NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 NIDRNVHMMDAAIK-YPMLDQLKSA-N 50012647 CHEMBL2396989 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3YS 4X7I 49837968 103924900 CHEMBL2396989 ZINC29415484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093310 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H17ClN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23) ZZUPAAPYPBQGKS-UHFFFAOYSA-N 50012649 CHEMBL3261063 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52K 5CLM 50914101 103924902 CHEMBL3261063 ZINC29411411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093311 NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H16ClFN4O2/c18-12-4-5-14(21-7-12)16(24)22-13-3-1-2-11(6-13)17(9-19)10-25-8-15(20)23-17/h1-7H,8-10H2,(H2,20,23)(H,22,24)/t17-/m0/s1 KEFNSMANAYXFOM-KRWDZBQOSA-N 50012650 CHEMBL3261064 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656188 103924903 CHEMBL3261064 ZINC29466534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093312 NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H15ClF2N4O2/c18-11-4-5-13(22-7-11)15(25)23-12-3-1-2-10(6-12)17(16(19)20)9-26-8-14(21)24-17/h1-7,16H,8-9H2,(H2,21,24)(H,23,25) HCATWODWZYGFTA-UHFFFAOYSA-N 50012651 CHEMBL3261065 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914398 103924904 CHEMBL3261065 ZINC29466817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093313 NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F InChI=1S/C17H14ClF3N4O2/c18-11-4-5-13(23-7-11)15(26)24-12-3-1-2-10(6-12)16(17(19,20)21)9-27-8-14(22)25-16/h1-7H,8-9H2,(H2,22,25)(H,24,26) KBYCQYPXPIXAHW-UHFFFAOYSA-N 50012652 CHEMBL3261066 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118813 103924905 CHEMBL3261066 ZINC29409976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093314 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 BQFHTVUWPJXLOW-VQTJNVASSA-N 50012653 CHEMBL3261067 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SLK 7B1Q 66665322 103924906 CHEMBL3261067 ZINC29463978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093315 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1 VAFUDQUXHDFJQT-RBUKOAKNSA-N 116240 US10035794, Example 16::US10683287, Example 16::US8637508, 16 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356350 199996624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093316 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 MTNQDQUYJFDVLS-RBUKOAKNSA-N 116236 US10035794, Example 11::US10683287, Example 11::US8637508, 11 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356221 199996620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093317 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-16(27)14-4-1-10(6-22)7-24-14)5-12(13)18(17(20)21)9-28-8-15(23)26-18/h1-5,7,17H,8-9H2,(H2,23,26)(H,25,27)/t18-/m0/s1 KDQIGIVWGQPWCQ-SFHVURJKSA-N 50012654 CHEMBL3261074 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118888 103924907 CHEMBL3261074 ZINC29464633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093318 CC1=CSC(N)=NN1 InChI=1S/C4H7N3S/c1-3-2-8-4(5)7-6-3/h2,6H,1H3,(H2,5,7) IXEHDQLJUKUVRN-UHFFFAOYSA-N 50012655 CHEMBL3261080 Beta-secretase 1 Homo sapiens 8200000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 55281242 103924908 CHEMBL3261080 ZINC29417156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093319 NC1=Nc2ccccc2CS1 InChI=1S/C8H8N2S/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H2,9,10) FGKBJMGTDSEDBJ-UHFFFAOYSA-N 50012656 CHEMBL3261081 Beta-secretase 1 Homo sapiens 790000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 284056 103924909 CHEMBL3261081 ZINC29468089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093320 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncc(F)cc2F)c1 InChI=1S/C17H16F2N4O2/c1-17(9-25-8-14(20)23-17)10-3-2-4-12(5-10)22-16(24)15-13(19)6-11(18)7-21-15/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24) AWZZTBXSMJAMSX-UHFFFAOYSA-N 50012657 CHEMBL3261058 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50991953 103924910 CHEMBL3261058 ZINC29407778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093321 CC1(COCC(N)=N1)c1cccc(Nc2ccon2)c1 InChI=1S/C14H16N4O2/c1-14(9-19-8-12(15)17-14)10-3-2-4-11(7-10)16-13-5-6-20-18-13/h2-7H,8-9H2,1H3,(H2,15,17)(H,16,18) CRVBAIKEFVZIOQ-UHFFFAOYSA-N 50012658 CHEMBL3261059 Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656189 103924911 CHEMBL3261059 ZINC29464630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093322 CC1(COCC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C15H16N4O/c1-15(9-20-8-14(16)19-15)13-4-2-3-11(5-13)12-6-17-10-18-7-12/h2-7,10H,8-9H2,1H3,(H2,16,19) YUSMYCUJOJEXRA-UHFFFAOYSA-N 50012659 CHEMBL3261060 Beta-secretase 1 Homo sapiens 710 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54761047 103924912 CHEMBL3261060 ZINC29463984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093323 NC1=N[C@]2(C[C@H]2COC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2/c19-11-1-4-15(22-7-11)17(25)23-12-2-3-14(20)13(5-12)18-6-10(18)8-26-9-16(21)24-18/h1-5,7,10H,6,8-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 HOPLUAKMYRGQPD-YPMLDQLKSA-N 50012640 CHEMBL2403779 Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70169280 103924893 CHEMBL2403779 ZINC29417142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093324 C[C@]1(C[C@H](OCC(N)=N1)c1ccccc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H22ClFN4O2/c1-24(12-21(32-14-22(27)30-24)15-5-3-2-4-6-15)18-11-17(8-9-19(18)26)29-23(31)20-10-7-16(25)13-28-20/h2-11,13,21H,12,14H2,1H3,(H2,27,30)(H,29,31)/t21-,24-/m0/s1 PURLBWRUJVTQEN-URXFXBBRSA-N 50012641 CHEMBL3261061 Beta-secretase 1 Homo sapiens 142000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54578013 103924894 CHEMBL3261061 ZINC29414229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093325 C[C@]1(COCCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H18ClFN4O2/c1-18(10-26-7-6-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 WOZIINQXNVZSGZ-SFHVURJKSA-N 50012642 CHEMBL2403778 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54577358 103924895 CHEMBL2403778 ZINC05319467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093326 C[C@@]1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O2/c1-17(18(21,22)9-28-8-15(23)26-17)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7H,8-9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1 BAVSGDZAGDONMG-QGZVFWFLSA-N 50012643 CHEMBL3261062 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54577822 103924896 CHEMBL3261062 ZINC29417139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093327 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LMHDJRUKZXENER-IBGZPJMESA-N 50012660 CHEMBL3261078::US9273042, 5::US9556135, 19 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562362 103924913 CHEMBL3261078 ZINC29414433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093328 C[C@]1(CS(=O)(=O)C2(CCCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H24ClFN4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1 QTKARDGAUMDUCL-NRFANRHFSA-N 50012661 CHEMBL3261079 Beta-secretase 1 Homo sapiens 8.4 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71532069 103924914 CHEMBL3261079 ZINC29466579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093329 C[C@]1(Cn2cccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 FZFJUKOAGOAQFB-NRFANRHFSA-N 50012662 CHEMBL3261075 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7D 6OD6 90656190 103924915 CHEMBL3261075 ZINC29412051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093330 C[C@@]1(N=C(N)Cn2nccc12)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C19H17ClN6O/c1-19(16-7-8-23-26(16)11-17(21)25-19)12-3-2-4-14(9-12)24-18(27)15-6-5-13(20)10-22-15/h2-10H,11H2,1H3,(H2,21,25)(H,24,27)/t19-/m1/s1 HZJAWSZFOQZSDD-LJQANCHMSA-N 50012663 CHEMBL3261076 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56948542 103924916 CHEMBL3261076 ZINC29467048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093351 C[C@]1(Cc2cccn2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17FN6O/c1-21(10-15-3-2-8-28(15)20(24)27-21)16-9-14(5-6-17(16)22)26-19(29)18-7-4-13(11-23)12-25-18/h2-9,12H,10H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 QNYMOKXMFDMXTL-NRFANRHFSA-N 50012664 CHEMBL3261077 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656191 103924917 CHEMBL3261077 ZINC29414546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093384 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 LKDWXLBCDHUZRF-HXPMCKFVSA-N 102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45 Beta-secretase 1 Homo sapiens 8.5 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467574 172098235 ZINC96173856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093511 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C12COCC1COC(N)=N2 InChI=1S/C21H20FN5O4/c1-2-3-6-30-18-9-24-17(8-25-18)19(28)26-14-4-5-16(22)15(7-14)21-12-29-10-13(21)11-31-20(23)27-21/h4-5,7-9,13H,6,10-12H2,1H3,(H2,23,27)(H,26,28) JYUHBSRHKNGRMW-UHFFFAOYSA-N 50012665 CHEMBL3261051 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68353987 103924918 CHEMBL3261051 ZINC29463601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093512 COc1cccc(-c2cccc(c2)[C@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m1/s1 RECVUKARQVUVBY-XMMPIXPASA-N 50012627 CHEMBL3260842 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QN7 4ACU 90656184 103924880 CHEMBL3260842 ZINC29464392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093515 NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCF)c1 InChI=1S/C21H19F5N4O2/c22-8-9-31-16-3-1-2-14(10-16)21(13-4-6-15(7-5-13)32-18(23)24)17-28-11-20(25,26)12-30(17)19(27)29-21/h1-7,10,18H,8-9,11-12H2,(H2,27,29)/t21-/m1/s1 YMCAEGQLCUHXHN-OAQYLSRUSA-N 50012628 CHEMBL3261044 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656185 103924881 CHEMBL3261044 ZINC29411681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093553 CC1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,17?/m0/s1 HBJCZLYQYZGGRO-BHWOMJMDSA-N 50012667 CHEMBL3261070 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656192 103924920 CHEMBL3261070 ZINC29467337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093589 COc1cccc(-c2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccncc2)c1F InChI=1S/C24H22FN5O/c1-31-20-8-3-7-19(21(20)25)16-5-2-6-18(15-16)24(17-9-12-27-13-10-17)22-28-11-4-14-30(22)23(26)29-24/h2-3,5-10,12-13,15H,4,11,14H2,1H3,(H2,26,29) QPJHVYYOFCYPRT-UHFFFAOYSA-N 50419866 CHEMBL1957468 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24989869 163368890 CHEMBL1957468 ZINC73312492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093590 C[C@@]1(N=C(N)CO[C@H]1C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O2/c1-18(15(16(21)22)28-8-14(23)26-18)11-6-10(3-4-12(11)20)25-17(27)13-5-2-9(19)7-24-13/h2-7,15-16H,8H2,1H3,(H2,23,26)(H,25,27)/t15-,18+/m0/s1 WDWMKAZTQGFSLL-MAUKXSAKSA-N 50012668 CHEMBL3261071 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656193 103924921 CHEMBL3261071 ZINC29465380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093591 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1 KUEUDMYMTXDGEE-IAGOWNOFSA-N 50012669 CHEMBL3261072 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656194 242058161 CHEMBL3261072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093592 CC1(N=C(N)CO[C@@]1(F)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF5N4O2/c1-16(17(21,18(22,23)24)30-8-14(25)28-16)11-6-10(3-4-12(11)20)27-15(29)13-5-2-9(19)7-26-13/h2-7H,8H2,1H3,(H2,25,28)(H,27,29)/t16?,17-/m1/s1 OGJIFLGBZGLNLI-ZYMOGRSISA-N 50012670 CHEMBL3261073 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656195 242058162 CHEMBL3261073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50093595 CN1C(N)=N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H17F3N6O4S/c1-27-17(22)26-18(8-31-7-14(18)32(27,29)30)10-4-9(2-3-11(10)19)25-16(28)13-6-23-12(5-24-13)15(20)21/h2-6,14-15H,7-8H2,1H3,(H2,22,26)(H,25,28)/t14-,18-/m1/s1 IQUBPELHSBAKON-RDTXWAMCSA-N 50012646 CHEMBL3261056 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2014.03.025 10.7270/Q2H41T0Z 24704031 Oehlrich, D; Prokopcova, H; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71468021 103924899 CHEMBL3261056 ZINC29409967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097315 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1 BGRWOLNAPSRJIS-LSBZLQRGSA-N 50015538 CHEMBL3265330 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2X4 4PZW 67950044 103927291 CHEMBL3265330 ZINC29474891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097316 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cccnc1F InChI=1S/C19H18FN3O3/c20-17-12(2-1-6-22-17)11-3-4-15-14(8-11)19(10-25-18(21)23-19)13-5-7-24-9-16(13)26-15/h1-4,6,8,13,16H,5,7,9-10H2,(H2,21,23)/t13-,16-,19-/m1/s1 VXNSVIMZLURETA-VVFCZOMOSA-N 50015541 CHEMBL3265331 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950214 103927294 CHEMBL3265331 ZINC29479456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097317 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cncc(F)c1 InChI=1S/C19H18FN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1 JRUOFHMDUURXCL-LSBZLQRGSA-N 50015543 CHEMBL3265332 Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950104 103927296 CHEMBL3265332 ZINC29471619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097318 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cccc(c1)C#N InChI=1S/C21H19N3O3/c22-10-13-2-1-3-14(8-13)15-4-5-18-17(9-15)21(12-26-20(23)24-21)16-6-7-25-11-19(16)27-18/h1-5,8-9,16,19H,6-7,11-12H2,(H2,23,24)/t16-,19-,21-/m1/s1 PDBRRNFMRXNOHD-OZOXKJRCSA-N 50015545 CHEMBL3265333 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950045 103927298 CHEMBL3265333 ZINC29479566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097319 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cc(F)cc(Cl)c1 InChI=1S/C20H18ClFN2O3/c21-13-5-12(6-14(22)8-13)11-1-2-17-16(7-11)20(10-26-19(23)24-20)15-3-4-25-9-18(15)27-17/h1-2,5-8,15,18H,3-4,9-10H2,(H2,23,24)/t15-,18-,20-/m1/s1 DUKBXFIKVQSRBG-XFQXTVEOSA-N 50015546 CHEMBL3265334 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950143 103927299 CHEMBL3265334 ZINC29471953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097320 NC1=N[C@]2(CO1)[C@H]1CCOC[C@@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/s1 BGRWOLNAPSRJIS-UCLAIMLFSA-N 50015547 CHEMBL3265335 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2X5 4PZX 67950241 103927300 CHEMBL3265335 ZINC13650714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097321 C[C@]12COCC[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-19-10-25-5-4-17(19)20(11-26-18(22)24-20)15-7-12(2-3-16(15)27-19)13-6-14(21)9-23-8-13/h2-3,6-9,17H,4-5,10-11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 LJSSLTYQMYUUSX-IHPCNDPISA-N 50015548 CHEMBL3265336 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950185 103927301 CHEMBL3265336 ZINC29474571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097322 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1 BGRWOLNAPSRJIS-LSBZLQRGSA-N 50015538 CHEMBL3265330 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2X4 4PZW 67950044 103927291 CHEMBL3265330 ZINC29474891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097323 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cccnc1F InChI=1S/C19H18FN3O3/c20-17-12(2-1-6-22-17)11-3-4-15-14(8-11)19(10-25-18(21)23-19)13-5-7-24-9-16(13)26-15/h1-4,6,8,13,16H,5,7,9-10H2,(H2,21,23)/t13-,16-,19-/m1/s1 VXNSVIMZLURETA-VVFCZOMOSA-N 50015541 CHEMBL3265331 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950214 103927294 CHEMBL3265331 ZINC29479456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097324 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cncc(F)c1 InChI=1S/C19H18FN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1 JRUOFHMDUURXCL-LSBZLQRGSA-N 50015543 CHEMBL3265332 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950104 103927296 CHEMBL3265332 ZINC29471619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097325 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cccc(c1)C#N InChI=1S/C21H19N3O3/c22-10-13-2-1-3-14(8-13)15-4-5-18-17(9-15)21(12-26-20(23)24-21)16-6-7-25-11-19(16)27-18/h1-5,8-9,16,19H,6-7,11-12H2,(H2,23,24)/t16-,19-,21-/m1/s1 PDBRRNFMRXNOHD-OZOXKJRCSA-N 50015545 CHEMBL3265333 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950045 103927298 CHEMBL3265333 ZINC29479566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097326 NC1=N[C@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cc(F)cc(Cl)c1 InChI=1S/C20H18ClFN2O3/c21-13-5-12(6-14(22)8-13)11-1-2-17-16(7-11)20(10-26-19(23)24-20)15-3-4-25-9-18(15)27-17/h1-2,5-8,15,18H,3-4,9-10H2,(H2,23,24)/t15-,18-,20-/m1/s1 DUKBXFIKVQSRBG-XFQXTVEOSA-N 50015546 CHEMBL3265334 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950143 103927299 CHEMBL3265334 ZINC29471953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097327 NC1=N[C@]2(CO1)[C@H]1CCOC[C@@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/s1 BGRWOLNAPSRJIS-UCLAIMLFSA-N 50015547 CHEMBL3265335 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2X5 4PZX 67950241 103927300 CHEMBL3265335 ZINC13650714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097332 NC1=N[C@@]2(CO1)[C@H]1CCOC[C@@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m0/s1 BGRWOLNAPSRJIS-FNHZYXHNSA-N 50015550 CHEMBL3265337 Beta-secretase 1 Homo sapiens 7700 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67971878 103927303 CHEMBL3265337 ZINC29479568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50097333 NC1=N[C@@]2(CO1)[C@@H]1CCOC[C@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m1/s1 BGRWOLNAPSRJIS-BJZITVGISA-N 50015560 CHEMBL3265338 Beta-secretase 1 Homo sapiens 17000 ChEMBL 10.1016/j.bmcl.2014.04.012 10.7270/Q22J6DDC 24780121 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67971622 103927313 CHEMBL3265338 ZINC43781023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104296 COC1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O InChI=1S/C18H14O7/c1-7-10(20)6-12-14(15(7)21)16(22)13-9-4-3-8(19)5-11(9)25-18(23-2)17(13)24-12/h3-6,18-21H,1-2H3 ZESAOJOQKPXOPG-UHFFFAOYSA-N 50018959 Boeravinone D Beta-secretase 1 Homo sapiens 4770 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15081178 103930001 ZINC29465724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104297 COc1cc2O[C@H]3COc4c(OC)cccc4[C@]3(O)C(=O)c2c(O)c1C InChI=1S/C19H18O7/c1-9-12(24-3)7-13-15(16(9)20)18(21)19(22)10-5-4-6-11(23-2)17(10)25-8-14(19)26-13/h4-7,14,20,22H,8H2,1-3H3/t14-,19+/m0/s1 BUFFAZGOMINRQK-IFXJQAMLSA-N 50018960 CHEMBL3287407 Beta-secretase 1 Homo sapiens 62210 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90644231 103930002 CHEMBL3287407 ZINC13756975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104298 COC1Oc2ccccc2-c2c1oc1cc(OC)c(C)c(O)c1c2=O InChI=1S/C19H16O6/c1-9-12(22-2)8-13-15(16(9)20)17(21)14-10-6-4-5-7-11(10)25-19(23-3)18(14)24-13/h4-8,19-20H,1-3H3 SRHRAINFNPVRDF-UHFFFAOYSA-N 50018961 CHEMBL3287408 Beta-secretase 1 Homo sapiens >3000000 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 14018347 103930003 CHEMBL3287408 ZINC29462791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104299 COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3 SUWMBRRWYKHHDH-UHFFFAOYSA-N 50018962 CHEMBL3287409 Beta-secretase 1 Homo sapiens 4240 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11013288 103930004 CHEMBL3287409 ZINC29465163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104300 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N 4078 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione::CHEMBL6246::ELLAGIC ACID::Elagic Acid::Ellagic acid (18)::Ellagic acid dihydrate::MLS000069632::SMR000058244::cid_5281855 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4078&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search REF 4YUA,2ZJW,6RWD 5281855 8033769 4775 CHEMBL6246 DB08468 C10788 ZINC03872446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104301 O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1 ZJVUMAFASBFUBG-RILGRMFESA-N 50377922 PUNICALAGIN Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16148440 160857005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104302 Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 JCGHAEBIBSEQAD-UUUCSUBKSA-N 50250989 CHEMBL450745::eugeniin Beta-secretase 1 Homo sapiens 3100 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 442679 104104330 4916 CHEMBL450745 C10224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104303 Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 QJYNZEYHSMRWBK-NIKIMHBISA-N 50241052 1,2,3,4,6-Pgg::1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose::1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose::CHEMBL382408::acs.jmedchem.1c00409_ST.650::beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate) Beta-secretase 1 Homo sapiens 3760 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65238 104098581 18082 CHEMBL382408 C04576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104304 COC1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O InChI=1S/C18H14O7/c1-7-10(20)6-12-14(15(7)21)16(22)13-9-4-3-8(19)5-11(9)25-18(23-2)17(13)24-12/h3-6,18-21H,1-2H3 ZESAOJOQKPXOPG-UHFFFAOYSA-N 50018959 Boeravinone D Beta-secretase 1 Homo sapiens 5010 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15081178 103930001 ZINC29465724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104305 COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3 SUWMBRRWYKHHDH-UHFFFAOYSA-N 50018962 CHEMBL3287409 Beta-secretase 1 Homo sapiens 4280 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11013288 103930004 CHEMBL3287409 ZINC29465163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104306 COc1cc(OC)c(cc1O)[C@H](C=C)c1ccccc1O InChI=1S/C17H18O4/c1-4-11(12-7-5-6-8-14(12)18)13-9-15(19)17(21-3)10-16(13)20-2/h4-11,18-19H,1H2,2-3H3/t11-/m1/s1 OJVQOGDGFIJYPN-LLVKDONJSA-N 50018963 LATIFOLIN Beta-secretase 1 Homo sapiens 180000 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 340211 103930005 ZINC29464530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104307 Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 JCGHAEBIBSEQAD-UUUCSUBKSA-N 50250989 CHEMBL450745::eugeniin Beta-secretase 1 Homo sapiens 6840 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 442679 104104330 4916 CHEMBL450745 C10224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50104308 Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 QJYNZEYHSMRWBK-NIKIMHBISA-N 50241052 1,2,3,4,6-Pgg::1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose::1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose::CHEMBL382408::acs.jmedchem.1c00409_ST.650::beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate) Beta-secretase 1 Homo sapiens 5130 ChEMBL 10.1016/j.bmcl.2014.04.060 10.7270/Q2NV9KSW 24835197 Park, SH; Yang, EJ; Kim, SI; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65238 104098581 18082 CHEMBL382408 C04576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50112514 CC1=C(C)C(C)(C)C(=C)C1=O InChI=1S/C10H14O/c1-6-7(2)10(4,5)8(3)9(6)11/h3H2,1-2,4-5H3 HPRXOWFUCCMLJF-UHFFFAOYSA-N 50023040 CHEMBL2272783 Beta-secretase 1 Homo sapiens 416000 ChEMBL 10.1021/np400903w 10.7270/Q2TT4SH3 24921156 Videira, R; Castanheira, P; Grãos, M; Resende, R; Salgueiro, L; Faro, C; Cavaleiro, C University of Coimbra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50023040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50023040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11499243 103933582 CHEMBL2272783 ZINC29342605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50112515 CC1=C(C)C(C)(C)C(=C)C1=O InChI=1S/C10H14O/c1-6-7(2)10(4,5)8(3)9(6)11/h3H2,1-2,4-5H3 HPRXOWFUCCMLJF-UHFFFAOYSA-N 50023040 CHEMBL2272783 Beta-secretase 1 Homo sapiens 415800 ChEMBL 10.1021/np400903w 10.7270/Q2TT4SH3 24921156 Videira, R; Castanheira, P; Grãos, M; Resende, R; Salgueiro, L; Faro, C; Cavaleiro, C University of Coimbra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50023040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50023040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11499243 103933582 CHEMBL2272783 ZINC29342605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50112568 CC1=C(C)C(C)(C)C(=C)C1=O InChI=1S/C10H14O/c1-6-7(2)10(4,5)8(3)9(6)11/h3H2,1-2,4-5H3 HPRXOWFUCCMLJF-UHFFFAOYSA-N 50023040 CHEMBL2272783 Beta-secretase 1 Homo sapiens 217000 ChEMBL 10.1021/np400903w 10.7270/Q2TT4SH3 24921156 Videira, R; Castanheira, P; Grãos, M; Resende, R; Salgueiro, L; Faro, C; Cavaleiro, C University of Coimbra http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50023040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50023040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11499243 103933582 CHEMBL2272783 ZINC29342605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121933 COc1cc(CC(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc2ccccc2)C(O)=O)cc(OC)c1OC InChI=1S/C41H59N5O13/c1-22(2)16-28(43-33(48)20-26-18-31(57-6)37(59-8)32(19-26)58-7)30(47)21-34(49)46-36(23(3)4)40(54)42-24(5)38(52)44-27(14-15-35(50)51)39(53)45-29(41(55)56)17-25-12-10-9-11-13-25/h9-13,18-19,22-24,27-30,36,47H,14-17,20-21H2,1-8H3,(H,42,54)(H,43,48)(H,44,52)(H,45,53)(H,46,49)(H,50,51)(H,55,56)/t24-,27-,28?,29-,30+,36-/m1/s1 KBJBMKMQKVIWOQ-UYEBUMJYSA-N 50127413 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-[2-(2-{3-hydroxy-6-methyl-4-[2-(3,4,5-trimethoxy-phenyl)-acetylamino]-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-butyric acid::CHEMBL301944 Beta-secretase 1 Homo sapiens 94000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296131 104019304 CHEMBL301944 ZINC95542595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121934 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H67N7O12S/c1-22(2)19-30(47-39(57)29(17-18-62-9)46-41(59)35(23(3)4)44-26(8)50)32(51)21-33(52)49-36(24(5)6)40(58)43-25(7)37(55)45-28(15-16-34(53)54)38(56)48-31(42(60)61)20-27-13-11-10-12-14-27/h10-14,22-25,28-32,35-36,51H,15-21H2,1-9H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,49,52)(H,53,54)(H,60,61)/t25-,28-,29-,30-,31-,32-,35-,36-/m0/s1 IUBJRDXEGAYCQB-VZVVEHFOSA-N 50127427 (S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylamino-3-(S)-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-1-oxo-heptylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::(S)-4-[2-((S)-2-{(S)-4-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-4-((S)-methylsulfanyl)-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-(S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL51386 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11018389 104019318 CHEMBL51386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121935 CCCCNC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C InChI=1S/C32H61N5O7S/c1-12-13-15-33-29(41)26(20(4)5)36-25(39)18-24(38)23(17-19(2)3)35-28(40)22(14-16-45-11)34-30(42)27(21(6)7)37-31(43)44-32(8,9)10/h19-24,26-27,38H,12-18H2,1-11H3,(H,33,41)(H,34,42)(H,35,40)(H,36,39)(H,37,43)/t22-,23?,24-,26+,27-/m0/s1 WCCQWNVMBPPQSX-FDNQUFRKSA-N 50127437 CHEMBL52225::[1-(1-{1-[2-(1-Butylcarbamoyl-2-methyl-propylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296485 104019328 CHEMBL52225 ZINC29475888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121936 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C33H41N3O7/c1-19(2)16-26(35-32(41)30(39)25-11-7-9-22-8-5-6-10-24(22)25)27(37)17-28(38)36-29(20(3)4)31(40)34-18-21-12-14-23(15-13-21)33(42)43/h5-15,19-20,26-27,29-30,37,39H,16-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,38)(H,42,43)/t26-,27-,29-,30?/m0/s1 SQMFTZTZAKREKJ-XMMBWAHJSA-N 50127432 4-({2-[3-Hydroxy-4-(2-hydroxy-2-naphthalen-1-yl-acetylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-methyl)-benzoic acid::CHEMBL53024 Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11966417 104019323 CHEMBL53024 ZINC29482749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121937 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NC1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O InChI=1S/C36H63N5O11S/c1-18(2)13-25(39-30(44)24(11-12-53-10)38-32(46)29(20(5)6)41-35(51)52-36(7,8)9)26(42)17-27(43)40-28(19(3)4)31(45)37-23-15-21(33(47)48)14-22(16-23)34(49)50/h18-26,28-29,42H,11-17H2,1-10H3,(H,37,45)(H,38,46)(H,39,44)(H,40,43)(H,41,51)(H,47,48)(H,49,50)/t21-,22+,23?,24-,25?,26-,28+,29-/m0/s1 ZSLANACIAQSSOS-JYZCEOKFSA-N 50127433 5-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-cyclohexane-1,3-dicarboxylic acid::CHEMBL50930 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296651 104019324 CHEMBL50930 ZINC95616112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121938 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(OCC(O)=O)c1 InChI=1S/C37H61N5O10S/c1-21(2)16-27(40-33(47)26(14-15-53-10)39-35(49)32(23(5)6)42-36(50)52-37(7,8)9)28(43)18-29(44)41-31(22(3)4)34(48)38-19-24-12-11-13-25(17-24)51-20-30(45)46/h11-13,17,21-23,26-28,31-32,43H,14-16,18-20H2,1-10H3,(H,38,48)(H,39,49)(H,40,47)(H,41,44)(H,42,50)(H,45,46)/t26-,27?,28-,31+,32-/m0/s1 RKFQNFXCYRYMML-YKWLJNTDSA-N 50127419 CHEMBL51188::{3-[(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-phenoxy}-acetic acid Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296652 104019310 CHEMBL51188 ZINC95541749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121939 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NC1CCCCC1 InChI=1S/C34H63N5O7S/c1-20(2)18-25(26(40)19-27(41)38-28(21(3)4)31(43)35-23-14-12-11-13-15-23)37-30(42)24(16-17-47-10)36-32(44)29(22(5)6)39-33(45)46-34(7,8)9/h20-26,28-29,40H,11-19H2,1-10H3,(H,35,43)(H,36,44)(H,37,42)(H,38,41)(H,39,45)/t24-,25?,26-,28+,29-/m0/s1 JVGACVLVCOISCM-AOWYRTEJSA-N 50127420 CHEMBL298141::[1-(1-{1-[2-(1-Cyclohexylcarbamoyl-2-methyl-propylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296440 104019311 CHEMBL298141 ZINC29475948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121940 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccncc1 InChI=1S/C34H58N6O7S/c1-20(2)17-25(26(41)18-27(42)39-28(21(3)4)31(44)36-19-23-11-14-35-15-12-23)38-30(43)24(13-16-48-10)37-32(45)29(22(5)6)40-33(46)47-34(7,8)9/h11-12,14-15,20-22,24-26,28-29,41H,13,16-19H2,1-10H3,(H,36,44)(H,37,45)(H,38,43)(H,39,42)(H,40,46)/t24-,25?,26-,28+,29-/m0/s1 KNJCHXFHKIALIV-AOWYRTEJSA-N 50127412 (1-{1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-ethyl)-3-methyl-butylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL299351 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296653 104019303 CHEMBL299351 ZINC29474397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121941 CC(C)CC(NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C42H55N5O11/c1-23(2)20-31(45-41(56)37(52)29-17-11-15-27-14-9-10-16-28(27)29)33(48)22-34(49)47-36(24(3)4)40(55)43-25(5)38(53)44-30(18-19-35(50)51)39(54)46-32(42(57)58)21-26-12-7-6-8-13-26/h6-17,23-25,30-33,36-37,48,52H,18-22H2,1-5H3,(H,43,55)(H,44,53)(H,45,56)(H,46,54)(H,47,49)(H,50,51)(H,57,58)/t25-,30-,31?,32-,33+,36-,37?/m1/s1 OKXXIBJDLBMFLA-OVGJQVKVSA-N 50127430 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-4-(2-hydroxy-2-naphthalen-1-yl-acetylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL297910 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127430&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296441 104019321 CHEMBL297910 ZINC95542494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121942 CC(C)CC(NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C38H52BrN5O11/c1-20(2)17-27(42-37(53)33(49)24-13-9-10-14-25(24)39)29(45)19-30(46)44-32(21(3)4)36(52)40-22(5)34(50)41-26(15-16-31(47)48)35(51)43-28(38(54)55)18-23-11-7-6-8-12-23/h6-14,20-22,26-29,32-33,45,49H,15-19H2,1-5H3,(H,40,52)(H,41,50)(H,42,53)(H,43,51)(H,44,46)(H,47,48)(H,54,55)/t22-,26-,27?,28-,29+,32-,33?/m1/s1 ZGPQEQXPYLTEAP-LLYRHIFLSA-N 50127400 4-[2-(2-{4-[2-(2-Bromo-phenyl)-2-hydroxy-acetylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL51304 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296442 104019291 CHEMBL51304 ZINC95616158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121943 CC(C)CC(NC(=O)Cc1ccc(F)cc1F)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C38H51F2N5O10/c1-20(2)15-28(42-31(47)17-24-11-12-25(39)18-26(24)40)30(46)19-32(48)45-34(21(3)4)37(53)41-22(5)35(51)43-27(13-14-33(49)50)36(52)44-29(38(54)55)16-23-9-7-6-8-10-23/h6-12,18,20-22,27-30,34,46H,13-17,19H2,1-5H3,(H,41,53)(H,42,47)(H,43,51)(H,44,52)(H,45,48)(H,49,50)(H,54,55)/t22-,27-,28?,29-,30+,34-/m1/s1 YDTBWSBCZSKCJO-TVKJMVCASA-N 50127428 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-[2-(2-{4-[2-(2,4-difluoro-phenyl)-acetylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-butyric acid::CHEMBL433080 Beta-secretase 1 Homo sapiens 140000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296370 104019319 CHEMBL433080 ZINC95614566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121944 CC(C)CC(NC(=O)Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C38H53N5O10/c1-22(2)18-28(40-31(45)20-26-14-10-7-11-15-26)30(44)21-32(46)43-34(23(3)4)37(51)39-24(5)35(49)41-27(16-17-33(47)48)36(50)42-29(38(52)53)19-25-12-8-6-9-13-25/h6-15,22-24,27-30,34,44H,16-21H2,1-5H3,(H,39,51)(H,40,45)(H,41,49)(H,42,50)(H,43,46)(H,47,48)(H,52,53)/t24-,27-,28?,29-,30+,34-/m1/s1 ZYHKEXXEEVDQEG-ZIJWPCBDSA-N 50127406 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-{2-[2-(3-hydroxy-6-methyl-4-phenylacetylamino-heptanoylamino)-3-methyl-butyrylamino]-propionylamino}-butyric acid::CHEMBL298126 Beta-secretase 1 Homo sapiens 130000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296371 104019297 CHEMBL298126 ZINC29480104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121945 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccc2OCOc2c1 InChI=1S/C36H59N5O9S/c1-20(2)15-25(39-32(44)24(13-14-51-10)38-34(46)31(22(5)6)41-35(47)50-36(7,8)9)26(42)17-29(43)40-30(21(3)4)33(45)37-18-23-11-12-27-28(16-23)49-19-48-27/h11-12,16,20-22,24-26,30-31,42H,13-15,17-19H2,1-10H3,(H,37,45)(H,38,46)(H,39,44)(H,40,43)(H,41,47)/t24-,25?,26-,30+,31-/m0/s1 JJUGXLPKHKGPQR-LJMBIBBJSA-N 50127423 (1-{1-[1-(2-{1-[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-2-methyl-propylcarbamoyl}-1-hydroxy-ethyl)-3-methyl-butylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL50313 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296399 104019314 CHEMBL50313 ZINC29477478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121946 CC(C)CC(NC(=O)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C42H55N5O10/c1-24(2)20-32(44-35(49)22-29-16-11-15-28-14-9-10-17-30(28)29)34(48)23-36(50)47-38(25(3)4)41(55)43-26(5)39(53)45-31(18-19-37(51)52)40(54)46-33(42(56)57)21-27-12-7-6-8-13-27/h6-17,24-26,31-34,38,48H,18-23H2,1-5H3,(H,43,55)(H,44,49)(H,45,53)(H,46,54)(H,47,50)(H,51,52)(H,56,57)/t26-,31-,32?,33-,34+,38-/m1/s1 SDTNBULPMZASRA-RFUNJOMGSA-N 50127424 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-6-methyl-4-(2-naphthalen-1-yl-acetylamino)-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL53919 Beta-secretase 1 Homo sapiens 42000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296372 104019315 CHEMBL53919 ZINC95536501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121947 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C36H59N5O9S/c1-20(2)16-26(39-31(44)25(14-15-51-10)38-33(46)30(22(5)6)41-35(49)50-36(7,8)9)27(42)18-28(43)40-29(21(3)4)32(45)37-19-23-12-11-13-24(17-23)34(47)48/h11-13,17,20-22,25-27,29-30,42H,14-16,18-19H2,1-10H3,(H,37,45)(H,38,46)(H,39,44)(H,40,43)(H,41,49)(H,47,48)/t25-,26?,27-,29+,30-/m0/s1 HWDFFNKCDNDMRY-BGFUXUPTSA-N 50127425 3-[(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL300657 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296436 104019316 CHEMBL300657 ZINC29482611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121948 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCCCC(O)=O InChI=1S/C32H59N5O9S/c1-18(2)16-22(23(38)17-24(39)36-26(19(3)4)29(43)33-14-11-12-25(40)41)35-28(42)21(13-15-47-10)34-30(44)27(20(5)6)37-31(45)46-32(7,8)9/h18-23,26-27,38H,11-17H2,1-10H3,(H,33,43)(H,34,44)(H,35,42)(H,36,39)(H,37,45)(H,40,41)/t21-,22?,23-,26+,27-/m0/s1 OOYBSOIYOZWCGE-NGMFLYRASA-N 50127403 4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-butyric acid::CHEMBL53648 Beta-secretase 1 Homo sapiens 47000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296609 104019294 CHEMBL53648 ZINC29484212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121949 CC(C)CC(NC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C44H57N5O10/c1-26(2)22-34(46-37(51)24-30-16-18-32(19-17-30)31-14-10-7-11-15-31)36(50)25-38(52)49-40(27(3)4)43(57)45-28(5)41(55)47-33(20-21-39(53)54)42(56)48-35(44(58)59)23-29-12-8-6-9-13-29/h6-19,26-28,33-36,40,50H,20-25H2,1-5H3,(H,45,57)(H,46,51)(H,47,55)(H,48,56)(H,49,52)(H,53,54)(H,58,59)/t28-,33-,34?,35-,36+,40-/m1/s1 NILOMIOLUGKZLK-PTEZTIOZSA-N 50127405 4-(2-{2-[4-(2-Biphenyl-4-yl-acetylamino)-3-hydroxy-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL300665 Beta-secretase 1 Homo sapiens 56000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296317 104019296 CHEMBL300665 ZINC95609928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121950 CC(C)CC(NC(=O)C(O)c1cccc(Oc2ccccc2)c1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C44H57N5O12/c1-25(2)21-33(47-43(58)39(54)29-15-12-18-31(23-29)61-30-16-10-7-11-17-30)35(50)24-36(51)49-38(26(3)4)42(57)45-27(5)40(55)46-32(19-20-37(52)53)41(56)48-34(44(59)60)22-28-13-8-6-9-14-28/h6-18,23,25-27,32-35,38-39,50,54H,19-22,24H2,1-5H3,(H,45,57)(H,46,55)(H,47,58)(H,48,56)(H,49,51)(H,52,53)(H,59,60)/t27-,32-,33?,34-,35+,38-,39?/m1/s1 FYWDUHSNTSMNLW-CUKBHFIPSA-N 50127410 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-[2-(2-{3-hydroxy-4-[2-hydroxy-2-(3-phenoxy-phenyl)-acetylamino]-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-butyric acid::CHEMBL298147 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296284 104019301 CHEMBL298147 ZINC95609842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121951 CC(C)CC(NC(=O)C(O)c1ccccc1OCc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C45H59N5O12/c1-26(2)22-33(48-44(59)40(55)31-18-12-13-19-36(31)62-25-30-16-10-7-11-17-30)35(51)24-37(52)50-39(27(3)4)43(58)46-28(5)41(56)47-32(20-21-38(53)54)42(57)49-34(45(60)61)23-29-14-8-6-9-15-29/h6-19,26-28,32-35,39-40,51,55H,20-25H2,1-5H3,(H,46,58)(H,47,56)(H,48,59)(H,49,57)(H,50,52)(H,53,54)(H,60,61)/t28-,32-,33?,34-,35+,39-,40?/m1/s1 PWPRJULDDIAIAE-UKERYUBXSA-N 50127414 4-[2-(2-{4-[2-(2-Benzyloxy-phenyl)-2-hydroxy-acetylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL54083 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296283 104019305 CHEMBL54083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121952 CC(C)CC(NC(=O)[C@@H](O)c1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C38H53N5O11/c1-21(2)18-27(41-37(52)33(48)25-14-10-7-11-15-25)29(44)20-30(45)43-32(22(3)4)36(51)39-23(5)34(49)40-26(16-17-31(46)47)35(50)42-28(38(53)54)19-24-12-8-6-9-13-24/h6-15,21-23,26-29,32-33,44,48H,16-20H2,1-5H3,(H,39,51)(H,40,49)(H,41,52)(H,42,50)(H,43,45)(H,46,47)(H,53,54)/t23-,26-,27?,28-,29+,32-,33+/m1/s1 YHYXECQHKRNMQM-PJHOLEHVSA-N 50127435 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-4-(2-hydroxy-2-phenyl-acetylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL52545 Beta-secretase 1 Homo sapiens 17000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296253 104019326 CHEMBL52545 ZINC95616204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121953 CO[C@](C)(C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)c1ccccc1 InChI=1S/C40H57N5O11/c1-23(2)20-29(44-39(55)40(6,56-7)27-16-12-9-13-17-27)31(46)22-32(47)45-34(24(3)4)37(52)41-25(5)35(50)42-28(18-19-33(48)49)36(51)43-30(38(53)54)21-26-14-10-8-11-15-26/h8-17,23-25,28-31,34,46H,18-22H2,1-7H3,(H,41,52)(H,42,50)(H,43,51)(H,44,55)(H,45,47)(H,48,49)(H,53,54)/t25-,28-,29?,30-,31+,34-,40+/m1/s1 AQINWKNBOMUQAG-KMALPESCSA-N 50127417 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-4-(2-methoxy-2-phenyl-propionylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL52961 Beta-secretase 1 Homo sapiens 41000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296586 104019308 CHEMBL52961 ZINC95616172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121956 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C36H59N5O9S/c1-20(2)17-26(39-31(44)25(15-16-51-10)38-33(46)30(22(5)6)41-35(49)50-36(7,8)9)27(42)18-28(43)40-29(21(3)4)32(45)37-19-23-11-13-24(14-12-23)34(47)48/h11-14,20-22,25-27,29-30,42H,15-19H2,1-10H3,(H,37,45)(H,38,46)(H,39,44)(H,40,43)(H,41,49)(H,47,48)/t25-,26?,27-,29+,30-/m0/s1 LARLJDMEHWHSJU-BGFUXUPTSA-N 50127426 4-[(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL297913 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296453 104019317 CHEMBL297913 ZINC29480538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121958 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCCC(O)=O InChI=1S/C31H57N5O9S/c1-17(2)15-21(22(37)16-23(38)35-25(18(3)4)28(42)32-13-11-24(39)40)34-27(41)20(12-14-46-10)33-29(43)26(19(5)6)36-30(44)45-31(7,8)9/h17-22,25-26,37H,11-16H2,1-10H3,(H,32,42)(H,33,43)(H,34,41)(H,35,38)(H,36,44)(H,39,40)/t20-,21?,22-,25+,26-/m0/s1 OUPJWNCUIYHOJX-ATYLMGHXSA-N 50127402 3-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionic acid::CHEMBL54022 Beta-secretase 1 Homo sapiens 30000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296454 104019293 CHEMBL54022 ZINC29480545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121960 CO[C@H](C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)c1ccccc1 InChI=1S/C39H55N5O11/c1-22(2)19-28(42-38(52)34(55-6)26-15-11-8-12-16-26)30(45)21-31(46)44-33(23(3)4)37(51)40-24(5)35(49)41-27(17-18-32(47)48)36(50)43-29(39(53)54)20-25-13-9-7-10-14-25/h7-16,22-24,27-30,33-34,45H,17-21H2,1-6H3,(H,40,51)(H,41,49)(H,42,52)(H,43,50)(H,44,46)(H,47,48)(H,53,54)/t24-,27-,28?,29-,30+,33-,34+/m1/s1 BKXPEAFVHTWYCL-VKSGYNBZSA-N 50127421 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-4-(2-methoxy-2-phenyl-acetylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL301153 Beta-secretase 1 Homo sapiens 28000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296587 104019312 CHEMBL301153 ZINC95609937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121962 COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C InChI=1S/C38H67N5O11S/c1-20(2)15-27(41-32(46)26(13-14-55-12)40-34(48)31(22(5)6)43-37(51)54-38(7,8)9)28(44)19-29(45)42-30(21(3)4)33(47)39-25-17-23(35(49)52-10)16-24(18-25)36(50)53-11/h20-28,30-31,44H,13-19H2,1-12H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,51)/t23-,24+,25?,26-,27?,28-,30+,31-/m0/s1 HTVZXNBLHSRWCM-HTJUAXQASA-N 50127404 5-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-cyclohexane-1,3-dicarboxylic acid dimethyl ester::CHEMBL33417 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296445 104019295 CHEMBL33417 ZINC95611915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121963 CCCCOc1ccc(cc1)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C41H59N5O11/c1-7-8-20-57-29-16-14-28(15-17-29)38(52)44-31(21-24(2)3)33(47)23-34(48)46-36(25(4)5)40(54)42-26(6)37(51)43-30(18-19-35(49)50)39(53)45-32(41(55)56)22-27-12-10-9-11-13-27/h9-17,24-26,30-33,36,47H,7-8,18-23H2,1-6H3,(H,42,54)(H,43,51)(H,44,52)(H,45,53)(H,46,48)(H,49,50)(H,55,56)/t26-,30-,31?,32-,33+,36-/m1/s1 MKDDIVGPKNUOMN-CEEAZAGVSA-N 50127408 4-(2-{2-[4-(4-Butoxy-benzoylamino)-3-hydroxy-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL52317 Beta-secretase 1 Homo sapiens 27000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296588 104019299 CHEMBL52317 ZINC95541513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121966 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C35H59N5O7S/c1-21(2)18-26(27(41)19-28(42)39-29(22(3)4)32(44)36-20-24-14-12-11-13-15-24)38-31(43)25(16-17-48-10)37-33(45)30(23(5)6)40-34(46)47-35(7,8)9/h11-15,21-23,25-27,29-30,41H,16-20H2,1-10H3,(H,36,44)(H,37,45)(H,38,43)(H,39,42)(H,40,46)/t25-,26?,27-,29+,30-/m0/s1 IWCZPVNRLUXJSZ-BGFUXUPTSA-N 50127418 CHEMBL49711::{1-[1-(1-{2-[1-(Cyclohexylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296509 104019309 CHEMBL49711 ZINC29482485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121968 CC(C)CC(NC(=O)c1ccc(CC(C)C)cc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C41H59N5O10/c1-23(2)19-28-13-15-29(16-14-28)38(52)44-31(20-24(3)4)33(47)22-34(48)46-36(25(5)6)40(54)42-26(7)37(51)43-30(17-18-35(49)50)39(53)45-32(41(55)56)21-27-11-9-8-10-12-27/h8-16,23-26,30-33,36,47H,17-22H2,1-7H3,(H,42,54)(H,43,51)(H,44,52)(H,45,53)(H,46,48)(H,49,50)(H,55,56)/t26-,30-,31?,32-,33+,36-/m1/s1 CUWSQTHCRIQKLF-CEEAZAGVSA-N 50127422 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-4-(4-isobutyl-benzoylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL49989 Beta-secretase 1 Homo sapiens 28000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296589 104019313 CHEMBL49989 ZINC95616134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121969 COC(=O)CCCCC(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C37H57N5O12/c1-21(2)18-26(39-29(44)14-10-11-15-32(48)54-6)28(43)20-30(45)42-33(22(3)4)36(51)38-23(5)34(49)40-25(16-17-31(46)47)35(50)41-27(37(52)53)19-24-12-8-7-9-13-24/h7-9,12-13,21-23,25-28,33,43H,10-11,14-20H2,1-6H3,(H,38,51)(H,39,44)(H,40,49)(H,41,50)(H,42,45)(H,46,47)(H,52,53)/t23-,25-,26?,27-,28+,33-/m1/s1 QGMIFJOSRKHAKM-QRVCKTJSSA-N 50127415 5-{1-[2-(1-{1-[3-Carboxy-1-(1-carboxy-2-phenyl-ethylcarbamoyl)-propylcarbamoyl]-ethylcarbamoyl}-2-methyl-propylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-pentanoic acid methyl ester::CHEMBL48843 Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44295917 104019306 CHEMBL48843 ZINC95616103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121970 CC(C)CC(NC(=O)c1ccc2ccccc2c1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C41H53N5O10/c1-23(2)19-31(44-38(52)29-16-15-27-13-9-10-14-28(27)21-29)33(47)22-34(48)46-36(24(3)4)40(54)42-25(5)37(51)43-30(17-18-35(49)50)39(53)45-32(41(55)56)20-26-11-7-6-8-12-26/h6-16,21,23-25,30-33,36,47H,17-20,22H2,1-5H3,(H,42,54)(H,43,51)(H,44,52)(H,45,53)(H,46,48)(H,49,50)(H,55,56)/t25-,30-,31?,32-,33+,36-/m1/s1 OTLPMXQDMUHLHI-ILKRXCDDSA-N 50127416 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-[2-(2-{3-hydroxy-6-methyl-4-[(naphthalene-2-carbonyl)-amino]-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-butyric acid::CHEMBL297739 Beta-secretase 1 Homo sapiens 48000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296415 104019307 CHEMBL297739 ZINC95609818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121974 CC(C)CC(NC(=O)CCCOc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C40H57N5O11/c1-24(2)21-30(42-33(47)17-12-20-56-28-15-10-7-11-16-28)32(46)23-34(48)45-36(25(3)4)39(53)41-26(5)37(51)43-29(18-19-35(49)50)38(52)44-31(40(54)55)22-27-13-8-6-9-14-27/h6-11,13-16,24-26,29-32,36,46H,12,17-23H2,1-5H3,(H,41,53)(H,42,47)(H,43,51)(H,44,52)(H,45,48)(H,49,50)(H,54,55)/t26-,29-,30?,31-,32+,36-/m1/s1 RDZMWWOFZVFCMZ-PZFWBCOQSA-N 50127436 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-(2-{2-[3-hydroxy-6-methyl-4-(4-phenoxy-butyrylamino)-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-butyric acid::CHEMBL51003 Beta-secretase 1 Homo sapiens 25000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296416 104019327 CHEMBL51003 ZINC95616110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121976 CC(C)C[C@H](NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C29H38BrN3O7/c1-16(2)13-22(32-28(38)26(36)20-7-5-6-8-21(20)30)23(34)14-24(35)33-25(17(3)4)27(37)31-15-18-9-11-19(12-10-18)29(39)40/h5-12,16-17,22-23,25-26,34,36H,13-15H2,1-4H3,(H,31,37)(H,32,38)(H,33,35)(H,39,40)/t22-,23-,25-,26?/m0/s1 IOUVRURNYHOXNR-LCCICSTESA-N 50127409 4-[(2-{4-[2-(2-Bromo-phenyl)-2-hydroxy-acetylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL49971 Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10908277 104019300 CHEMBL49971 ZINC29479887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121992 CC(C)CC(NC(=O)C(O)c1ccccc1Oc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C44H57N5O12/c1-25(2)22-32(47-43(58)39(54)30-18-12-13-19-35(30)61-29-16-10-7-11-17-29)34(50)24-36(51)49-38(26(3)4)42(57)45-27(5)40(55)46-31(20-21-37(52)53)41(56)48-33(44(59)60)23-28-14-8-6-9-15-28/h6-19,25-27,31-34,38-39,50,54H,20-24H2,1-5H3,(H,45,57)(H,46,55)(H,47,58)(H,48,56)(H,49,51)(H,52,53)(H,59,60)/t27-,31-,32?,33-,34+,38-,39?/m1/s1 WAPQNDYNPYRSOA-RWPUFGIXSA-N 50127431 4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-[2-(2-{3-hydroxy-4-[2-hydroxy-2-(2-phenoxy-phenyl)-acetylamino]-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-butyric acid::CHEMBL51779 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127431&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296298 104019322 CHEMBL51779 ZINC95616168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121993 COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@H](NC(=O)C[C@H](O)[C@@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(C)C InChI=1S/C40H47F2N3O9/c1-22(2)35(37(49)43-29-18-25(39(51)53-3)17-26(19-29)40(52)54-4)45-34(47)21-33(46)32(16-23-14-27(41)20-28(42)15-23)44-38(50)36(48)31-13-9-8-12-30(31)24-10-6-5-7-11-24/h5-15,20,22,25-26,29,32-33,35-36,46,48H,16-19,21H2,1-4H3,(H,43,49)(H,44,50)(H,45,47)/t25-,26+,29?,32-,33+,35-,36?/m1/s1 GHUQZSZCASQUOS-MKUMCAHCSA-N 50127407 5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-(3,5-difluoro-phenyl)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-cyclohexane-1,3-dicarboxylic acid dimethyl ester::CHEMBL296166 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296358 104019298 CHEMBL296166 ZINC95609784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121994 COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(O)c1cccc2ccccc12)C(C)C InChI=1S/C35H49N3O9/c1-19(2)14-27(37-33(43)31(41)26-13-9-11-21-10-7-8-12-25(21)26)28(39)18-29(40)38-30(20(3)4)32(42)36-24-16-22(34(44)46-5)15-23(17-24)35(45)47-6/h7-13,19-20,22-24,27-28,30-31,39,41H,14-18H2,1-6H3,(H,36,42)(H,37,43)(H,38,40)/t22-,23+,24?,27-,28-,30-,31?/m0/s1 OEHVICYGRRZHLL-PASVSXIPSA-N 50127429 5-{2-[3-Hydroxy-4-(2-hydroxy-2-naphthalen-1-yl-acetylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-cyclohexane-1,3-dicarboxylic acid dimethyl ester::CHEMBL53668 Beta-secretase 1 Homo sapiens 140000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10919408 104019320 CHEMBL53668 ZINC29483472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121995 COC(=O)CCCNC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C InChI=1S/C33H61N5O9S/c1-19(2)17-23(24(39)18-25(40)37-27(20(3)4)30(43)34-15-12-13-26(41)46-10)36-29(42)22(14-16-48-11)35-31(44)28(21(5)6)38-32(45)47-33(7,8)9/h19-24,27-28,39H,12-18H2,1-11H3,(H,34,43)(H,35,44)(H,36,42)(H,37,40)(H,38,45)/t22-,23?,24-,27+,28-/m0/s1 DWYPENDDZLNXSR-HFSZUJHSSA-N 50127434 4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-butyric acid methyl ester::CHEMBL52174 Beta-secretase 1 Homo sapiens 47000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296483 104019325 CHEMBL52174 ZINC29475866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121996 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NC1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O InChI=1S/C33H45N3O9/c1-17(2)12-25(35-31(41)29(39)24-11-7-9-19-8-5-6-10-23(19)24)26(37)16-27(38)36-28(18(3)4)30(40)34-22-14-20(32(42)43)13-21(15-22)33(44)45/h5-11,17-18,20-22,25-26,28-29,37,39H,12-16H2,1-4H3,(H,34,40)(H,35,41)(H,36,38)(H,42,43)(H,44,45)/t20-,21+,22?,25-,26-,28-,29?/m0/s1 LQFLQMKWXLKSHT-XEKFEGSGSA-N 50127401 5-{2-[3-Hydroxy-4-(2-hydroxy-2-naphthalen-1-yl-acetylamino)-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-cyclohexane-1,3-dicarboxylic acid::CHEMBL297486 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10995760 104019292 CHEMBL297486 ZINC29483478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50121997 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NO InChI=1S/C28H53N5O8S/c1-15(2)13-19(20(34)14-21(35)31-23(17(5)6)26(38)33-40)30-24(36)18(11-12-42-10)29-25(37)22(16(3)4)32-27(39)41-28(7,8)9/h15-20,22-23,34,40H,11-14H2,1-10H3,(H,29,37)(H,30,36)(H,31,35)(H,32,39)(H,33,38)/t18-,19?,20-,22-,23+/m0/s1 WMMQCGDAZPJOPB-FMMALVMXSA-N 50127411 CHEMBL50827::[1-(1-{1-[1-Hydroxy-2-(1-hydroxycarbamoyl-2-methyl-propylcarbamoyl)-ethyl]-3-methyl-butylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 94000 ChEMBL 10.1021/jm025619l 10.7270/Q2ZG6RMK 12723942 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44296484 104019302 CHEMBL50827 ZINC29475874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124805 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C45H70N8O16/c1-22(2)17-29(49-43(66)31(20-36(59)60)51-42(65)30(18-23(3)4)50-40(63)27(46)13-15-34(55)56)38(61)33(54)21-47-25(7)39(62)53-37(24(5)6)44(67)48-28(14-16-35(57)58)41(64)52-32(45(68)69)19-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,47,54H,13-21,46H2,1-7H3,(H,48,67)(H,49,66)(H,50,63)(H,51,65)(H,52,64)(H,53,62)(H,55,56)(H,57,58)(H,59,60)(H,68,69)/t25-,27-,28-,29-,30-,31-,32-,33?,37-/m0/s1 WAHCXYBUKGOGCQ-SHELQGHFSA-N 50155999 CHEMBL363255::Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397266 104043279 CHEMBL363255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124806 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C31H52N4O8S/c1-19(2)15-23(33-28(38)24(18-44(9,41)42)34-30(40)43-31(6,7)8)25(36)16-21(5)27(37)35-26(20(3)4)29(39)32-17-22-13-11-10-12-14-22/h10-14,19-21,23-26,36H,15-18H2,1-9H3,(H,32,39)(H,33,38)(H,34,40)(H,35,37)/t21?,23-,24-,25?,26-/m0/s1 XLXYOWSUVOIWNA-SMYSXFNISA-N 50155995 CHEMBL362324::{(R)-1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 1129 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397063 104043275 CHEMBL362324 ZINC26183931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124807 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H65N9O15/c1-20(2)16-27(48-40(63)28(18-31(44)53)49-41(64)34(21(3)4)51-38(61)25(43)12-14-32(54)55)35(58)30(52)19-45-22(5)36(59)46-23(6)37(60)47-26(13-15-33(56)57)39(62)50-29(42(65)66)17-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,45,52H,12-19,43H2,1-6H3,(H2,44,53)(H,46,59)(H,47,60)(H,48,63)(H,49,64)(H,50,62)(H,51,61)(H,54,55)(H,56,57)(H,65,66)/t22-,23-,25-,26-,27-,28-,29-,30?,34-/m0/s1 MLDXWEALUHVAQJ-OTDTYELYSA-N 50155988 (S)-4-{(S)-2-[(S)-2-((S)-4-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-carbamoyl-propionylamino}-2-hydroxy-6-methyl-3-oxo-heptylamino)-propionylamino]-propionylamino}-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL189141 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397265 104043268 CHEMBL189141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124808 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C40H69N5O7S/c1-24(2)20-29(35(47)44-33(26(5)6)37(49)41-23-28-16-14-13-15-17-28)22-32(46)31(21-25(3)4)43-36(48)30(18-19-53-12)42-38(50)34(27(7)8)45-39(51)52-40(9,10)11/h13-17,24-27,29-34,46H,18-23H2,1-12H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t29?,30?,31-,32?,33-,34-/m0/s1 LNMPJCHUUOFABS-ZAZVSLDYSA-N 50155997 ((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-6-methyl-heptylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL365195 Beta-secretase 1 Homo sapiens 10491 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397171 104043277 CHEMBL365195 ZINC49654685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124809 CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C35H58N6O8/c1-19(2)16-24(38-33(47)28(29(36)43)40-32(46)27(21(5)6)41-34(48)49-35(8,9)10)25(42)17-22(7)30(44)39-26(20(3)4)31(45)37-18-23-14-12-11-13-15-23/h11-15,19-22,24-28,42H,16-18H2,1-10H3,(H2,36,43)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,41,48)/t22?,24-,25?,26-,27-,28?/m0/s1 SOFGRHVPYISOLD-CRYDEKTISA-N 50156005 CHEMBL189358::[(S)-1-({[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-carbamoyl-methyl}-carbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397237 104043285 CHEMBL189358 ZINC34803842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124810 CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O9S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-52(11,49)50)39-35(47)31(24(5)6)42-36(48)51-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30-,31-/m0/s1 ZPHIGADCEJRCRP-MRTJMDALSA-N 50155994 ((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methanesulfonyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL185777 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397298 104043274 CHEMBL185777 ZINC34803812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124811 CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O7S/c1-21(2)17-26(38-32(44)27(20-49-11)39-34(46)30(23(5)6)41-35(47)48-36(8,9)10)28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24?,26-,27?,28?,29-,30-/m0/s1 MWJGDTZPZCVPJM-PELGVBSDSA-N 50156010 ((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL364635 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397069 104043290 CHEMBL364635 ZINC34803834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124812 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C30H49N5O7/c1-17(2)14-21(33-28(40)24(25(31)37)35-29(41)42-30(6,7)8)22(36)15-19(5)26(38)34-23(18(3)4)27(39)32-16-20-12-10-9-11-13-20/h9-13,17-19,21-24,36H,14-16H2,1-8H3,(H2,31,37)(H,32,39)(H,33,40)(H,34,38)(H,35,41)/t19?,21-,22?,23-,24-/m0/s1 ZLEKHXJFPDDPSY-BBCNIDKXSA-N 50156008 CHEMBL188956::{(S)-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-carbamoyl-methyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 3134 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397035 104043288 CHEMBL188956 ZINC28461287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124813 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30-,31-/m0/s1 OTAKXFOXYSLTCG-MRTJMDALSA-N 50156017 ((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL187614 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397092 104043297 CHEMBL187614 ZINC34803798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124814 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C28H45N5O7/c1-16(2)13-20(32-26(38)22(23(29)35)33-27(39)40-28(5,6)7)21(34)14-17(3)24(36)31-18(4)25(37)30-15-19-11-9-8-10-12-19/h8-12,16-18,20-22,34H,13-15H2,1-7H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)(H,33,39)/t17?,18-,20-,21?,22-/m0/s1 RCYPYNCVBNOPCN-KEPGZVRRSA-N 50156002 CHEMBL187568::{(S)-[(S)-4-((S)-1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-carbamoyl-methyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 22423 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44396890 104043282 CHEMBL187568 ZINC28461745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124815 CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H54N4O6S/c1-20(2)17-25(34-29(39)24(15-16-43-9)35-31(41)42-32(6,7)8)26(37)18-22(5)28(38)36-27(21(3)4)30(40)33-19-23-13-11-10-12-14-23/h10-14,20-22,24-27,37H,15-19H2,1-9H3,(H,33,40)(H,34,39)(H,35,41)(H,36,38)/t22?,24?,25-,26?,27-/m0/s1 QFTDPCREZCGEQF-QTZUSNQISA-N 50156014 CHEMBL361727::{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397017 104043294 CHEMBL361727 ZINC34803827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124816 CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O9S/c1-21(2)17-26(28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25)38-32(44)27(20-51(11,48)49)39-34(46)30(23(5)6)41-35(47)50-36(8,9)10/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24?,26-,27?,28?,29-,30-/m0/s1 HQRXSCRNSOFDNU-PELGVBSDSA-N 50156013 ((S)-1-{1-[(S)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL264004 Beta-secretase 1 Homo sapiens 9.4 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397166 104043293 CHEMBL264004 ZINC34803803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50124817 CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C33H54N6O8/c1-18(2)15-23(24(40)16-20(5)28(42)36-21(6)29(43)35-17-22-13-11-10-12-14-22)37-31(45)26(27(34)41)38-30(44)25(19(3)4)39-32(46)47-33(7,8)9/h10-14,18-21,23-26,40H,15-17H2,1-9H3,(H2,34,41)(H,35,43)(H,36,42)(H,37,45)(H,38,44)(H,39,46)/t20?,21-,23-,24?,25-,26?/m0/s1 DQXOEAIECZJQPM-KSCVNIMXSA-N 50155998 CHEMBL275231::[(S)-1-({[(S)-4-((S)-1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-carbamoyl-methyl}-carbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm049726m 10.7270/Q2NG4Q3W 15509178 Huang, D; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44397090 104043278 CHEMBL275231 ZINC36760027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50125049 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)C(NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H60N6O8/c1-10-17-39-31(46)21-29(42-37(50)33(25(7)8)44-38(51)52-18-11-2)35(48)41-28(19-23(3)4)30(45)20-26(9)34(47)43-32(24(5)6)36(49)40-22-27-15-13-12-14-16-27/h10-16,23-26,28-30,32-33,45H,1-2,17-22H2,3-9H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33?/m1/s1 RISHVAFZYDDUML-CFLXXZHWSA-N 50157300 (1-{(S)-2-Allylcarbamoyl-1-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid allyl ester::CHEMBL181262 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2004.10.013 10.7270/Q2Q52P4P 15582431 Tanaka, R; Sakano, Y; Nagatsu, A; Shibuya, M; Ebizuka, Y; Goda, Y National Institute of Health Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44391689 104044312 CHEMBL181262 ZINC28335182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50125050 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C38H56N8O16/c1-17(2)13-24(44-34(56)28(18(3)4)46-31(53)21(39)16-40-36(58)38(61)62)33(55)43-23(14-20-9-7-6-8-10-20)29(51)35(57)45-25(15-27(49)50)32(54)41-19(5)30(52)42-22(37(59)60)11-12-26(47)48/h6-10,17-19,21-25,28-29,51H,11-16,39H2,1-5H3,(H,40,58)(H,41,54)(H,42,52)(H,43,55)(H,44,56)(H,45,57)(H,46,53)(H,47,48)(H,49,50)(H,59,60)(H,61,62)/t19-,21-,22-,23-,24-,25-,28-,29+/m0/s1 PMAWRBZYVJKKCD-JQKAUZOTSA-N 50157440 (S)-2-[(S)-2-((S)-2-{3-[2-((S)-2-{(S)-2-Amino-3-[((S)-oxalyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-4-phenyl-butyrylamino}-3-(R)-carboxy-propionylamino)-propionylamino]-pentanedioic acid::CHEMBL183059 Beta-secretase 1 Homo sapiens 84 ChEMBL 10.1016/j.bmcl.2004.09.090 10.7270/Q2FN15Q2 15582441 Kimura, T; Shuto, D; Hamada, Y; Igawa, N; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44392157 104044435 CHEMBL183059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50125051 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N6O10/c1-17(2)13-24(38-29(43)25(18(3)4)39-27(41)22(34)16-35-31(45)33(48)49)28(42)37-23(14-19-9-6-5-7-10-19)26(40)30(44)36-21-12-8-11-20(15-21)32(46)47/h5-12,15,17-18,22-26,40H,13-14,16,34H2,1-4H3,(H,35,45)(H,36,44)(H,37,42)(H,38,43)(H,39,41)(H,46,47)(H,48,49)/t22-,23-,24-,25-,26+/m0/s1 DSVYOEPSJURYHQ-WBAQKLHDSA-N 50157438 3-{3-[2-((S)-2-{(S)-2-Amino-3-[((S)-oxalyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-4-phenyl-butyrylamino}-benzoic acid::CHEMBL367139 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2004.09.090 10.7270/Q2FN15Q2 15582441 Kimura, T; Shuto, D; Hamada, Y; Igawa, N; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918739 104044433 CHEMBL367139 ZINC03947784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50125052 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N6O12/c1-16(2)10-24(39-29(44)25(17(3)4)40-27(42)22(35)15-36-31(46)34(51)52)28(43)38-23(11-18-8-6-5-7-9-18)26(41)30(45)37-21-13-19(32(47)48)12-20(14-21)33(49)50/h5-9,12-14,16-17,22-26,41H,10-11,15,35H2,1-4H3,(H,36,46)(H,37,45)(H,38,43)(H,39,44)(H,40,42)(H,47,48)(H,49,50)(H,51,52)/t22-,23-,24-,25-,26+/m0/s1 WZJHGCSWOYSTGN-WBAQKLHDSA-N 50157442 5-{3-[2-((S)-2-{(S)-2-Amino-3-[((S)-oxalyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-4-phenyl-butyrylamino}-isophthalic acid::CHEMBL181826 Beta-secretase 1 Homo sapiens 4.7 ChEMBL 10.1016/j.bmcl.2004.09.090 10.7270/Q2FN15Q2 15582441 Kimura, T; Shuto, D; Hamada, Y; Igawa, N; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918740 104044437 CHEMBL181826 ZINC03947783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50125053 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2004.09.090 10.7270/Q2FN15Q2 15582441 Kimura, T; Shuto, D; Hamada, Y; Igawa, N; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50125054 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2004.09.090 10.7270/Q2FN15Q2 15582441 Kimura, T; Shuto, D; Hamada, Y; Igawa, N; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130265 COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C InChI=1S/C22H24F6N4O3/c1-32(2)18-6-5-15(12-17(18)19(33)29-7-4-8-35-3)30-20(34)31-16-10-13(21(23,24)25)9-14(11-16)22(26,27)28/h5-6,9-12H,4,7-8H2,1-3H3,(H,29,33)(H2,30,31,34) TTXMIASHCRWOTD-UHFFFAOYSA-N 50171338 5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-methoxy-propyl)-benzamide::CHEMBL363539 Beta-secretase 1 Homo sapiens 283900 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5040262 104057583 CHEMBL363539 ZINC13652942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130266 COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C InChI=1S/C22H24F6N4O3/c1-32(2)18-6-5-15(12-17(18)19(33)29-7-4-8-35-3)30-20(34)31-16-10-13(21(23,24)25)9-14(11-16)22(26,27)28/h5-6,9-12H,4,7-8H2,1-3H3,(H,29,33)(H2,30,31,34) TTXMIASHCRWOTD-UHFFFAOYSA-N 50171338 5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-methoxy-propyl)-benzamide::CHEMBL363539 Beta-secretase 1 Homo sapiens 9400 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5040262 104057583 CHEMBL363539 ZINC13652942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130268 CN(C)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C(=O)NCCCN1CCOCC1 InChI=1S/C25H29F6N5O3/c1-35(2)21-5-4-18(15-20(21)22(37)32-6-3-7-36-8-10-39-11-9-36)33-23(38)34-19-13-16(24(26,27)28)12-17(14-19)25(29,30)31/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,37)(H2,33,34,38) HFELCWNEBIIAEQ-UHFFFAOYSA-N 50171340 5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-morpholin-4-yl-propyl)-benzamide::CHEMBL370043 Beta-secretase 1 Homo sapiens 8100 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4243074 104057585 CHEMBL370043 ZINC28465989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130270 CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C InChI=1S/C21H27ClN4O3/c1-4-29-12-6-11-23-20(27)18-14-17(9-10-19(18)26(2)3)25-21(28)24-16-8-5-7-15(22)13-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,23,27)(H2,24,25,28) KTSSYRXXUBATJX-UHFFFAOYSA-N 50171337 5-[3-(3-Chloro-phenyl)-ureido]-2-dimethylamino-N-(3-ethoxy-propyl)-benzamide::CHEMBL190644 Beta-secretase 1 Homo sapiens 9800 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3948694 104057582 CHEMBL190644 ZINC13652941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130271 CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1 InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19) SVHVIRBGQRDCIB-UHFFFAOYSA-N 50171339 1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea::CHEMBL190346::cid_11198061 Beta-secretase 1 Homo sapiens >25 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11198061 104057584 CHEMBL190346 ZINC13108136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130272 CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1 InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19) SVHVIRBGQRDCIB-UHFFFAOYSA-N 50171339 1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea::CHEMBL190346::cid_11198061 Beta-secretase 1 Homo sapiens 28800 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11198061 104057584 CHEMBL190346 ZINC13108136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130273 CN(C)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C(=O)NCCCN1CCOCC1 InChI=1S/C25H29F6N5O3/c1-35(2)21-5-4-18(15-20(21)22(37)32-6-3-7-36-8-10-39-11-9-36)33-23(38)34-19-13-16(24(26,27)28)12-17(14-19)25(29,30)31/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,37)(H2,33,34,38) HFELCWNEBIIAEQ-UHFFFAOYSA-N 50171340 5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-morpholin-4-yl-propyl)-benzamide::CHEMBL370043 Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4243074 104057585 CHEMBL370043 ZINC28465989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130274 CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C InChI=1S/C21H27ClN4O3/c1-4-29-12-6-11-23-20(27)18-14-17(9-10-19(18)26(2)3)25-21(28)24-16-8-5-7-15(22)13-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,23,27)(H2,24,25,28) KTSSYRXXUBATJX-UHFFFAOYSA-N 50171337 5-[3-(3-Chloro-phenyl)-ureido]-2-dimethylamino-N-(3-ethoxy-propyl)-benzamide::CHEMBL190644 Beta-secretase 1 Homo sapiens 97 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3948694 104057582 CHEMBL190644 ZINC13652941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134548 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 InChI=1S/C34H44N12O8/c1-17(2)13-24(39-31(50)25(18(3)4)40-29(48)22(35)16-36-33(52)28-42-45-46-43-28)30(49)38-23(14-19-9-6-5-7-10-19)26(47)32(51)37-21-12-8-11-20(15-21)27-41-34(53)54-44-27/h5-12,15,17-18,22-26,47H,13-14,16,35H2,1-4H3,(H,36,52)(H,37,51)(H,38,49)(H,39,50)(H,40,48)(H,41,44,53)(H,42,43,45,46)/t22-,23-,24-,25-,26+/m0/s1 QWFHMVJGYDBJAX-WBAQKLHDSA-N 50182873 CHEMBL205333::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-3-hydroxy-4-oxo-4-(3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylamino)-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410958 104067488 CHEMBL205333 ZINC95606837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134549 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1 FWQPAHHKYLASJX-WBAQKLHDSA-N 50182871 CHEMBL381826::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2Htetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962092 104067486 CHEMBL381826 ZINC34803864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134550 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1 CLHGRAHPLPVFAC-WBAQKLHDSA-N 50182869 CHEMBL439521::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962093 104067484 CHEMBL439521 ZINC95543009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134551 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134552 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H45N5O11/c1-17(2)12-25(38-31(45)27(18(3)4)39-29(43)23(35)10-11-26(40)41)30(44)37-24(13-19-8-6-5-7-9-19)28(42)32(46)36-22-15-20(33(47)48)14-21(16-22)34(49)50/h5-9,14-18,23-25,27-28,42H,10-13,35H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,40,41)(H,47,48)(H,49,50)/t23-,24-,25-,27-,28+/m0/s1 PSCOCKHQPVMOFX-WZFFGLSISA-N 50141553 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxybutanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-(3-{(S)-2-[(S)-2-((S)-2-Amino-4-(S,R)-carboxy-butyrylamino)-3-methyl-butyrylamino]-4-methyl-1-oxo-pentylamino}-2-hydroxy-4-phenyl-butyrylamino)-isophthalic acid::CHEMBL288919 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44285579 104031012 CHEMBL288919 ZINC29323437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134553 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134554 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 InChI=1S/C34H44N12O7S/c1-17(2)13-24(39-31(50)25(18(3)4)40-29(48)22(35)16-36-33(52)28-42-45-46-43-28)30(49)38-23(14-19-9-6-5-7-10-19)26(47)32(51)37-21-12-8-11-20(15-21)27-41-34(54)53-44-27/h5-12,15,17-18,22-26,47H,13-14,16,35H2,1-4H3,(H,36,52)(H,37,51)(H,38,49)(H,39,50)(H,40,48)(H,41,44,54)(H,42,43,45,46)/t22-,23-,24-,25-,26+/m0/s1 BMBGUFRRNRYFDC-WBAQKLHDSA-N 50182872 CHEMBL208060::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylamino)butan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 6.4 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410934 104067487 CHEMBL208060 ZINC95606864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50134555 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 InChI=1S/C34H45N13O7/c1-17(2)12-25(38-33(53)27(18(3)4)39-31(51)23(35)10-11-26(48)49)32(52)37-24(13-19-8-6-5-7-9-19)28(50)34(54)36-22-15-20(29-40-44-45-41-29)14-21(16-22)30-42-46-47-43-30/h5-9,14-18,23-25,27-28,50H,10-13,35H2,1-4H3,(H,36,54)(H,37,52)(H,38,53)(H,39,51)(H,48,49)(H,40,41,44,45)(H,42,43,46,47)/t23-,24-,25-,27-,28+/m0/s1 JCKMZSJSOWBXBS-WZFFGLSISA-N 50182870 (S)-4-amino-5-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-5-oxopentanoic acid::CHEMBL205217 Beta-secretase 1 Homo sapiens 6.4 ChEMBL 10.1016/j.bmcl.2006.01.108 10.7270/Q2TD9WXG 16481167 Kimura, T; Hamada, Y; Stochaj, M; Ikari, H; Nagamine, A; Abdel-Rahman, H; Igawa, N; Hidaka, K; Nguyen, JT; Saito, K; Hayashi, Y; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44410528 104067485 CHEMBL205217 ZINC95606845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50137574 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C36H45FN12O8/c1-17(2)13-24(42-34(55)26(18(3)4)43-30(51)22(38)16-39-33(54)27-25(37)32(53)45-36(57)44-27)31(52)41-23(14-19-9-6-5-7-10-19)28(50)35(56)40-21-12-8-11-20(15-21)29-46-48-49-47-29/h5-12,15,17-18,22-24,26,28,50H,13-14,16,38H2,1-4H3,(H,39,54)(H,40,56)(H,41,52)(H,42,55)(H,43,51)(H2,44,45,53,57)(H,46,47,48,49)/t22-,23-,24-,26-,28+/m0/s1 FZBBWULCGLQILA-JYIQTIOUSA-N 50188339 CHEMBL380381::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1016/j.bmcl.2006.05.046 10.7270/Q26M36F4 16757166 Hamada, Y; Igawa, N; Ikari, H; Ziora, Z; Nguyen, JT; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ebina, M; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44414827 104072132 CHEMBL380381 ZINC95612919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50137578 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C36H48N14O6/c1-20(2)28(42-32(52)25(37)19-38-36(56)31-45-49-50-46-31)34(54)41-27(17-22-12-7-4-8-13-22)33(53)40-26(16-21-10-5-3-6-11-21)29(51)35(55)39-24-15-9-14-23(18-24)30-43-47-48-44-30/h3,5-6,9-11,14-15,18,20,22,25-29,51H,4,7-8,12-13,16-17,19,37H2,1-2H3,(H,38,56)(H,39,55)(H,40,53)(H,41,54)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t25-,26-,27-,28-,29+/m0/s1 ZNHGODVQRJHRGJ-MYHRABSESA-N 50188338 CHEMBL411711::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-cyclohexylpropylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2H-tetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1016/j.bmcl.2006.05.046 10.7270/Q26M36F4 16757166 Hamada, Y; Igawa, N; Ikari, H; Ziora, Z; Nguyen, JT; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ebina, M; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44414701 104072131 CHEMBL411711 ZINC95617209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50137579 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1 FWQPAHHKYLASJX-WBAQKLHDSA-N 50182871 CHEMBL381826::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2Htetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2006.05.046 10.7270/Q26M36F4 16757166 Hamada, Y; Igawa, N; Ikari, H; Ziora, Z; Nguyen, JT; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ebina, M; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962092 104067486 CHEMBL381826 ZINC34803864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50137580 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 HNWIZDPHFDXSOR-BSSYVKIHSA-N 50234178 CHEMBL255838::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxam::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1016/j.bmcl.2006.05.046 10.7270/Q26M36F4 16757166 Hamada, Y; Igawa, N; Ikari, H; Ziora, Z; Nguyen, JT; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ebina, M; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16043232 104055866 CHEMBL255838 ZINC95548932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141627 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H68N7O16P/c1-22(2)17-29(46-38(58)27(44)13-15-33(51)52)40(60)47-30(20-35(55)56)41(61)49-32(18-23(3)4)67(65,66)21-25(7)37(57)50-36(24(5)6)42(62)45-28(14-16-34(53)54)39(59)48-31(43(63)64)19-26-11-9-8-10-12-26/h8-12,22-25,27-32,36H,13-21,44H2,1-7H3,(H,45,62)(H,46,58)(H,47,60)(H,48,59)(H,49,61)(H,50,57)(H,51,52)(H,53,54)(H,55,56)(H,63,64)(H,65,66)/t25?,27-,28-,29-,30-,31-,32?,36-/m0/s1 VTXVJJPVSDWYLH-WZXUWNKNSA-N 50210577 CHEMBL242323::H-(S)Glu-(S)Leu-Asp-Leupsi [POOH-CH2]-Ala-(S)Val-(S)Glu-(S)Phe-OH Beta-secretase 1 Homo sapiens 675 ChEMBL 10.1016/j.bmc.2007.03.072 10.7270/Q24M9478 17433698 Manzenrieder, F; Frank, AO; Huber, T; Dorner-Ciossek, C; Kessler, H Technische Universität München http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44429035 104087080 CHEMBL242323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141628 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H68N7O16P/c1-22(2)17-29(46-38(58)27(44)13-15-33(51)52)40(60)47-30(20-35(55)56)41(61)49-32(18-23(3)4)67(65,66)21-25(7)37(57)50-36(24(5)6)42(62)45-28(14-16-34(53)54)39(59)48-31(43(63)64)19-26-11-9-8-10-12-26/h8-12,22-25,27-32,36H,13-21,44H2,1-7H3,(H,45,62)(H,46,58)(H,47,60)(H,48,59)(H,49,61)(H,50,57)(H,51,52)(H,53,54)(H,55,56)(H,63,64)(H,65,66)/t25?,27-,28-,29-,30-,31-,32-,36-/m0/s1 VTXVJJPVSDWYLH-UVIDIAPHSA-N 50210580 CHEMBL389831::H-(S)Glu-(S)Leu-Asp-(S)Leupsi [POOH-CH2]-Ala-(S)Val-(S)Glu-(S)Phe-OH Beta-secretase 1 Homo sapiens 2020 ChEMBL 10.1016/j.bmc.2007.03.072 10.7270/Q24M9478 17433698 Manzenrieder, F; Frank, AO; Huber, T; Dorner-Ciossek, C; Kessler, H Technische Universität München http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44429036 104087083 CHEMBL389831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141629 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H68N7O16P/c1-22(2)17-29(46-38(58)27(44)13-15-33(51)52)40(60)47-30(20-35(55)56)41(61)49-32(18-23(3)4)67(65,66)21-25(7)37(57)50-36(24(5)6)42(62)45-28(14-16-34(53)54)39(59)48-31(43(63)64)19-26-11-9-8-10-12-26/h8-12,22-25,27-32,36H,13-21,44H2,1-7H3,(H,45,62)(H,46,58)(H,47,60)(H,48,59)(H,49,61)(H,50,57)(H,51,52)(H,53,54)(H,55,56)(H,63,64)(H,65,66)/t25?,27-,28-,29-,30-,31-,32+,36-/m0/s1 VTXVJJPVSDWYLH-ZHYMVPAZSA-N 50210578 CHEMBL242315::H-(S)Glu-(S)Leu-Asp-(R)Leupsi [POOH-CH2]-Ala-(S)Val-(S)Glu-(S)Phe-OH Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmc.2007.03.072 10.7270/Q24M9478 17433698 Manzenrieder, F; Frank, AO; Huber, T; Dorner-Ciossek, C; Kessler, H Technische Universität München http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16730753 104087081 CHEMBL242315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141630 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1 CFIWWTUUSMMDDA-IQRKPKHNSA-N 50210579 (2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benzyl-5-(2-carboxyethyl)-17-(carboxymethyl)-13-hydroxy-14,20-diisobutyl-8-isopropyl-11-methyl-4,7,10,16,19,22-hexaoxo-3,6,9,15,18,21-hexaazahexacosane-1,26-dioic acid::CHEMBL390456::OM00-3 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmc.2007.03.072 10.7270/Q24M9478 17433698 Manzenrieder, F; Frank, AO; Huber, T; Dorner-Ciossek, C; Kessler, H Technische Universität München http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 447068 104087082 CHEMBL390456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141631 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O InChI=1S/C33H42N4O5/c1-4-14-37(15-5-2)33(41)27-19-25(31(34)39)18-26(20-27)32(40)36-29(17-23-10-7-6-8-11-23)30(38)22-35-21-24-12-9-13-28(16-24)42-3/h6-13,16,18-20,29-30,35,38H,4-5,14-15,17,21-22H2,1-3H3,(H2,34,39)(H,36,40)/t29-,30+/m0/s1 YDSHWOAYBJHGOV-XZWHSSHBSA-N 50210722 CHEMBL231325::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426032 104087173 CHEMBL231325 ZINC28705178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141632 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O InChI=1S/C33H42N4O6/c1-4-13-37(14-5-2)33(42)26-18-24(31(34)40)17-25(19-26)32(41)36-29(16-22-9-11-27(38)12-10-22)30(39)21-35-20-23-7-6-8-28(15-23)43-3/h6-12,15,17-19,29-30,35,38-39H,4-5,13-14,16,20-21H2,1-3H3,(H2,34,40)(H,36,41)/t29-,30+/m0/s1 YULNCSBBJTUFOB-XZWHSSHBSA-N 50210720 CHEMBL397715::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426045 104087171 CHEMBL397715 ZINC28705238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141633 CCCN(CCC)C(=O)c1cc(CC#N)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C34H42N4O4/c1-4-16-38(17-5-2)34(41)29-19-26(14-15-35)18-28(22-29)33(40)37-31(21-25-10-7-6-8-11-25)32(39)24-36-23-27-12-9-13-30(20-27)42-3/h6-13,18-20,22,31-32,36,39H,4-5,14,16-17,21,23-24H2,1-3H3,(H,37,40)/t31-,32+/m0/s1 DCBXSNBDNFBYSA-AJQTZOPKSA-N 50210710 CHEMBL230190::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(cyanomethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426035 104087161 CHEMBL230190 ZINC28705202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141634 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1)C(N)=O InChI=1S/C34H42F2N4O4/c1-4-10-40(11-5-2)34(44)27-17-25(32(37)42)16-26(18-27)33(43)39-30(15-24-13-28(35)19-29(36)14-24)31(41)21-38-20-23-9-7-8-22(6-3)12-23/h7-9,12-14,16-19,30-31,38,41H,4-6,10-11,15,20-21H2,1-3H3,(H2,37,42)(H,39,43)/t30-,31+/m0/s1 STJWSMTYMITMCI-IOWSJCHKSA-N 50210721 CHEMBL397714::N1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426043 104087172 CHEMBL397714 ZINC28705232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141635 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)OCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C35H45N3O6/c1-5-16-38(17-6-2)34(41)28-20-27(21-29(22-28)35(42)44-7-3)33(40)37-31(19-25-12-9-8-10-13-25)32(39)24-36-23-26-14-11-15-30(18-26)43-4/h8-15,18,20-22,31-32,36,39H,5-7,16-17,19,23-24H2,1-4H3,(H,37,40)/t31-,32+/m0/s1 XCFURYZGUYZVSE-AJQTZOPKSA-N 50210713 CHEMBL394596::ethyl 3-(((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)carbamoyl)-5-(dipropylcarbamoyl)benzoate Beta-secretase 1 Homo sapiens 132 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426051 104087164 CHEMBL394596 ZINC28705258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141636 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H54N4O5/c1-6-18-42(19-7-2)38(46)32-24-31(25-33(26-32)39(47)43(20-8-3)21-9-4)37(45)41-35(23-29-14-11-10-12-15-29)36(44)28-40-27-30-16-13-17-34(22-30)48-5/h10-17,22,24-26,35-36,40,44H,6-9,18-21,23,27-28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1 DFSVSCRNLHQSLH-MPQUPPDSSA-N 50210712 CHEMBL124380::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3,N3,N5,N5-tetrapropylbenzene-1,3,5-tricarboxamide Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426041 104087163 CHEMBL124380 ZINC28705229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141637 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C34H43F2N3O3/c1-5-11-39(12-6-2)34(42)28-14-23(4)13-27(19-28)33(41)38-31(18-26-16-29(35)20-30(36)17-26)32(40)22-37-21-25-10-8-9-24(7-3)15-25/h8-10,13-17,19-20,31-32,37,40H,5-7,11-12,18,21-22H2,1-4H3,(H,38,41)/t31-,32+/m0/s1 VTBHRQKJWZCVCL-AJQTZOPKSA-N 50210717 CHEMBL397275::N1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10120976 104087168 CHEMBL397275 ZINC28705171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141638 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H43N3O4/c1-5-15-36(16-6-2)33(39)28-18-24(3)17-27(21-28)32(38)35-30(20-25-11-8-7-9-12-25)31(37)23-34-22-26-13-10-14-29(19-26)40-4/h7-14,17-19,21,30-31,34,37H,5-6,15-16,20,22-23H2,1-4H3,(H,35,38)/t30-,31+/m0/s1 WYWFEQYXSIMDBU-IOWSJCHKSA-N 50210714 CHEMBL231542::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426031 104087165 CHEMBL231542 ZINC28705174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141639 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O InChI=1S/C30H36N4O5/c1-3-12-33-29(37)23-15-22(28(31)36)16-24(17-23)30(38)34-26(14-20-8-5-4-6-9-20)27(35)19-32-18-21-10-7-11-25(13-21)39-2/h4-11,13,15-17,26-27,32,35H,3,12,14,18-19H2,1-2H3,(H2,31,36)(H,33,37)(H,34,38)/t26-,27+/m0/s1 ZJBTYLBZKXCVMN-RRPNLBNLSA-N 50210716 CHEMBL396010::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-propylbenzene-1,3,5-tricarboxamide Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426039 104087167 CHEMBL396010 ZINC28705223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141640 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N InChI=1S/C33H40N4O4/c1-4-14-37(15-5-2)33(40)28-17-26(21-34)16-27(20-28)32(39)36-30(19-24-10-7-6-8-11-24)31(38)23-35-22-25-12-9-13-29(18-25)41-3/h6-13,16-18,20,30-31,35,38H,4-5,14-15,19,22-23H2,1-3H3,(H,36,39)/t30-,31+/m0/s1 PUPFKUSFCYPLGU-IOWSJCHKSA-N 50210718 CHEMBL231646::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-cyano-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426033 104087169 CHEMBL231646 ZINC28705191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141641 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C35H46N4O5/c1-6-16-39(17-7-2)35(43)29-21-27(20-28(22-29)34(42)38(3)4)33(41)37-31(19-25-12-9-8-10-13-25)32(40)24-36-23-26-14-11-15-30(18-26)44-5/h8-15,18,20-22,31-32,36,40H,6-7,16-17,19,23-24H2,1-5H3,(H,37,41)/t31-,32+/m0/s1 WJRWIEVAQULAJW-AJQTZOPKSA-N 50210715 CHEMBL230807::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3,N3-dimethyl-N5,N5-dipropylbenzene-1,3,5-tricarboxamide Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426048 104087166 CHEMBL230807 ZINC28705250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141642 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N InChI=1S/C30H34N4O4/c1-3-12-33-29(36)24-13-23(18-31)14-25(17-24)30(37)34-27(16-21-8-5-4-6-9-21)28(35)20-32-19-22-10-7-11-26(15-22)38-2/h4-11,13-15,17,27-28,32,35H,3,12,16,19-20H2,1-2H3,(H,33,36)(H,34,37)/t27-,28+/m0/s1 IXBBHLPRRJPTKY-WUFINQPMSA-N 50210711 CHEMBL230314::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-cyano-N3-propylisophthalamide Beta-secretase 1 Homo sapiens 770 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426036 104087162 CHEMBL230314 ZINC28705212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141643 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O InChI=1S/C33H40F2N4O5/c1-4-9-39(10-5-2)33(43)25-16-23(31(36)41)15-24(17-25)32(42)38-29(14-22-11-26(34)18-27(35)12-22)30(40)20-37-19-21-7-6-8-28(13-21)44-3/h6-8,11-13,15-18,29-30,37,40H,4-5,9-10,14,19-20H2,1-3H3,(H2,36,41)(H,38,42)/t29-,30+/m0/s1 XIQAKRFMIYGAIR-XZWHSSHBSA-N 50210709 CHEMBL396765::N1-((2S,3R)-4-(3-methoxybenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide::N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MR0 2P83 16129583 104087160 CHEMBL396765 ZINC16052353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141644 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(O)=O InChI=1S/C33H41N3O6/c1-4-14-36(15-5-2)32(39)26-18-25(19-27(20-26)33(40)41)31(38)35-29(17-23-10-7-6-8-11-23)30(37)22-34-21-24-12-9-13-28(16-24)42-3/h6-13,16,18-20,29-30,34,37H,4-5,14-15,17,21-22H2,1-3H3,(H,35,38)(H,40,41)/t29-,30+/m0/s1 SGXPAUVERYLCOT-XZWHSSHBSA-N 50210719 3-(((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)carbamoyl)-5-(dipropylcarbamoyl)benzoic acid::CHEMBL394595 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2007.03.096 10.7270/Q2RB748S 17434734 Kortum, SW; Benson, TE; Bienkowski, MJ; Emmons, TL; Prince, DB; Paddock, DJ; Tomasselli, AG; Moon, JB; LaBorde, A; TenBrink, RE Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 21085652 104087170 CHEMBL394595 ZINC28705244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139659 CCCC(CCC)S(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C36H49N3O7S/c1-4-13-31(14-5-2)47(43,44)26-33(39-36(42)46-25-28-17-10-7-11-18-28)35(41)38-32(22-27-15-8-6-9-16-27)34(40)24-37-23-29-19-12-20-30(21-29)45-3/h6-12,15-21,31-34,37,40H,4-5,13-14,22-26H2,1-3H3,(H,38,41)(H,39,42)/t32-,33?,34+/m0/s1 FJYALDRNDKNYKU-DWJMSNRFSA-N 50196587 CHEMBL253800::benzyl 1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 112 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10146435 104078303 CHEMBL253800 ZINC28968629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139660 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)C2CCCCC2)c1 InChI=1S/C27H38N2O5S/c1-34-23-12-8-11-22(17-23)19-28-20-26(30)25(18-21-9-4-2-5-10-21)29-27(31)15-16-35(32,33)24-13-6-3-7-14-24/h2,4-5,8-12,17,24-26,28,30H,3,6-7,13-16,18-20H2,1H3,(H,29,31)/t25-,26+/m0/s1 AFMVYJGZMLXDSL-IZZNHLLZSA-N 50196592 CHEMBL398925::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(cyclohexylsulfonyl)propanamide Beta-secretase 1 Homo sapiens 3670 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445145 104078308 CHEMBL398925 ZINC28968563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139661 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(C)(=O)=O)c1 InChI=1S/C22H30N2O5S/c1-29-19-10-6-9-18(13-19)15-23-16-21(25)20(14-17-7-4-3-5-8-17)24-22(26)11-12-30(2,27)28/h3-10,13,20-21,23,25H,11-12,14-16H2,1-2H3,(H,24,26)/t20-,21+/m0/s1 KWACLJKGSSGOOC-LEWJYISDSA-N 50196579 CHEMBL252549::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(methylsulfonyl)propanamide Beta-secretase 1 Homo sapiens >20000 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445146 104078295 CHEMBL252549 ZINC28968567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139662 CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C28H42N2O5S/c1-4-10-25(11-5-2)36(33,34)17-16-28(32)30-26(19-22-12-7-6-8-13-22)27(31)21-29-20-23-14-9-15-24(18-23)35-3/h6-9,12-15,18,25-27,29,31H,4-5,10-11,16-17,19-21H2,1-3H3,(H,30,32)/t26-,27+/m0/s1 MPGYFTYRJCOSLV-RRPNLBNLSA-N 50196586 CHEMBL401141::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(heptan-4-ylsulfonyl)propanamide Beta-secretase 1 Homo sapiens 314 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445149 104078302 CHEMBL401141 ZINC28968588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139663 CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C28H43N3O5S/c1-4-16-31(17-5-2)37(34,35)18-10-15-28(33)30-26(20-23-11-7-6-8-12-23)27(32)22-29-21-24-13-9-14-25(19-24)36-3/h6-9,11-14,19,26-27,29,32H,4-5,10,15-18,20-22H2,1-3H3,(H,30,33)/t26-,27+/m0/s1 FQTKIOCGHMSTMS-RRPNLBNLSA-N 50196581 CHEMBL252962::N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-4-dipropylsulfamoyl-butyramide Beta-secretase 1 Homo sapiens 7950 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445154 104078297 CHEMBL252962 ZINC28968617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139664 CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C29H45N3O5S/c1-4-6-17-32(18-7-5-2)38(35,36)19-16-29(34)31-27(21-24-12-9-8-10-13-24)28(33)23-30-22-25-14-11-15-26(20-25)37-3/h8-15,20,27-28,30,33H,4-7,16-19,21-23H2,1-3H3,(H,31,34)/t27-,28+/m0/s1 SORSKESEAHGMMJ-WUFINQPMSA-N 50196574 CHEMBL253165::N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-dibutylsulfamoyl-propionamide Beta-secretase 1 Homo sapiens 484 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445155 104078290 CHEMBL253165 ZINC28968622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139665 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1 InChI=1S/C28H40N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2,4-5,8,10-13,18,25-27,29,31H,3,6-7,9,14-17,19-21H2,1H3,(H,30,32)/t26-,27+/m0/s1 RQDWQQJXHMJFCZ-RRPNLBNLSA-N 50196590 CHEMBL252548::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-(cyclohexylsulfonyl)butanamide Beta-secretase 1 Homo sapiens >20000 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445144 104078306 CHEMBL252548 ZINC28968562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139666 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1 WPRACYICKOKGTO-XZWHSSHBSA-N 50196578 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE::CHEMBL443239::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search L01 1W51 449107 104078294 CHEMBL443239 ZINC28968529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139667 CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C28H42N2O5S/c1-4-10-25(11-5-2)36(33,34)17-16-28(32)30-26(19-22-12-7-6-8-13-22)27(31)21-29-20-23-14-9-15-24(18-23)35-3/h6-9,12-15,18,25-27,29,31H,4-5,10-11,16-17,19-21H2,1-3H3,(H,30,32)/t26-,27+/m0/s1 MPGYFTYRJCOSLV-RRPNLBNLSA-N 50196586 CHEMBL401141::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(heptan-4-ylsulfonyl)propanamide Beta-secretase 1 Homo sapiens 596 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445149 104078302 CHEMBL401141 ZINC28968588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139668 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(I)c1 InChI=1S/C31H38IN3O3/c1-3-16-35(17-4-2)31(38)26-14-9-13-25(20-26)30(37)34-28(19-23-10-6-5-7-11-23)29(36)22-33-21-24-12-8-15-27(32)18-24/h5-15,18,20,28-29,33,36H,3-4,16-17,19,21-22H2,1-2H3,(H,34,37)/t28-,29+/m0/s1 FDCNZRLOUMYVHJ-URLMMPGGSA-N 50196582 CHEMBL254625::N1-((2S,3R)-4-(3-iodobenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10168127 104078298 CHEMBL254625 ZINC28968534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139669 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1 InChI=1S/C27H39N3O5S/c1-35-24-13-8-12-23(18-24)20-28-21-26(31)25(19-22-10-4-2-5-11-22)29-27(32)14-9-17-36(33,34)30-15-6-3-7-16-30/h2,4-5,8,10-13,18,25-26,28,31H,3,6-7,9,14-17,19-21H2,1H3,(H,29,32)/t25-,26+/m0/s1 SLUFXDXLBWGIIS-IZZNHLLZSA-N 50196577 CHEMBL252756::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-(piperidin-1-ylsulfonyl)butanamide Beta-secretase 1 Homo sapiens 6461 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445150 104078293 CHEMBL252756 ZINC28968594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139670 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1 InChI=1S/C27H40N2O5S/c1-21(2)14-16-35(32,33)15-8-13-27(31)29-25(18-22-9-5-4-6-10-22)26(30)20-28-19-23-11-7-12-24(17-23)34-3/h4-7,9-12,17,21,25-26,28,30H,8,13-16,18-20H2,1-3H3,(H,29,31)/t25-,26+/m0/s1 HANOKGOIMNNZGY-IZZNHLLZSA-N 50196585 CHEMBL252754::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-(isopentylsulfonyl)butanamide Beta-secretase 1 Homo sapiens >20000 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445147 104078301 CHEMBL252754 ZINC28968572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139671 CCCC(C)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C26H38N2O5S/c1-4-9-20(2)34(31,32)15-14-26(30)28-24(17-21-10-6-5-7-11-21)25(29)19-27-18-22-12-8-13-23(16-22)33-3/h5-8,10-13,16,20,24-25,27,29H,4,9,14-15,17-19H2,1-3H3,(H,28,30)/t20?,24-,25+/m0/s1 QTSJSLQPUUQLOW-DUXSLQFZSA-N 50196583 CHEMBL252755::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(pentan-2-ylsulfonyl)propanamide Beta-secretase 1 Homo sapiens 5614 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445148 104078299 CHEMBL252755 ZINC28968583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139672 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)c2ccccc2)c1 InChI=1S/C28H34N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2-8,10-15,18,26-27,29,31H,9,16-17,19-21H2,1H3,(H,30,32)/t26-,27+/m0/s1 JPMKQIPORISWAS-RRPNLBNLSA-N 50196575 CHEMBL252547::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-(phenylsulfonyl)butanamide Beta-secretase 1 Homo sapiens 4131 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 21087080 104078291 CHEMBL252547 ZINC28968549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139673 CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C27H41N3O5S/c1-4-15-30(16-5-2)36(33,34)17-14-27(32)29-25(19-22-10-7-6-8-11-22)26(31)21-28-20-23-12-9-13-24(18-23)35-3/h6-13,18,25-26,28,31H,4-5,14-17,19-21H2,1-3H3,(H,29,32)/t25-,26+/m0/s1 FPOKQPOBOUXHML-IZZNHLLZSA-N 50196576 CHEMBL252961::N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-dipropylsulfamoyl-propionamide Beta-secretase 1 Homo sapiens 1090 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445153 104078292 CHEMBL252961 ZINC28968611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139674 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2ccccc2)c1 InChI=1S/C27H32N2O5S/c1-34-23-12-8-11-22(17-23)19-28-20-26(30)25(18-21-9-4-2-5-10-21)29-27(31)15-16-35(32,33)24-13-6-3-7-14-24/h2-14,17,25-26,28,30H,15-16,18-20H2,1H3,(H,29,31)/t25-,26+/m0/s1 OLRYMFHWXMXJKV-IZZNHLLZSA-N 50196589 CHEMBL437961::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(phenylsulfonyl)propanamide Beta-secretase 1 Homo sapiens 5214 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445143 104078305 CHEMBL437961 ZINC28968556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139675 Cc1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 InChI=1S/C25H25F2IN2O2/c1-16-4-2-6-19(8-16)25(32)30-23(12-18-9-20(26)13-21(27)10-18)24(31)15-29-14-17-5-3-7-22(28)11-17/h2-11,13,23-24,29,31H,12,14-15H2,1H3,(H,30,32)/t23-,24+/m0/s1 BBSHSTBMSJDAJL-BJKOFHAPSA-N 50196591 CHEMBL254626::N-((2S,3R)-4-(3-iodobenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-3-methylbenzamide Beta-secretase 1 Homo sapiens 4100 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445141 104078307 CHEMBL254626 ZINC28968540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139676 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1 InChI=1S/C26H37N3O5S/c1-34-23-12-8-11-22(17-23)19-27-20-25(30)24(18-21-9-4-2-5-10-21)28-26(31)13-16-35(32,33)29-14-6-3-7-15-29/h2,4-5,8-12,17,24-25,27,30H,3,6-7,13-16,18-20H2,1H3,(H,28,31)/t24-,25+/m0/s1 QKDILUYNDDDGDO-LOSJGSFVSA-N 50196584 CHEMBL252960::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(piperidin-1-ylsulfonyl)propanamide Beta-secretase 1 Homo sapiens 3785 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445151 104078300 CHEMBL252960 ZINC28968599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139677 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCS(=O)(=O)c2ccccc2)c1 InChI=1S/C29H36N2O5S/c1-36-25-14-10-13-24(19-25)21-30-22-28(32)27(20-23-11-4-2-5-12-23)31-29(33)17-8-9-18-37(34,35)26-15-6-3-7-16-26/h2-7,10-16,19,27-28,30,32H,8-9,17-18,20-22H2,1H3,(H,31,33)/t27-,28+/m0/s1 UQJVWEWEJOEPTN-WUFINQPMSA-N 50196588 CHEMBL399749::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(phenylsulfonyl)pentanamide Beta-secretase 1 Homo sapiens >20000 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445142 104078304 CHEMBL399749 ZINC28968546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139678 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1 InChI=1S/C26H39N3O5S/c1-20(2)12-14-28-35(32,33)15-13-26(31)29-24(17-21-8-5-4-6-9-21)25(30)19-27-18-22-10-7-11-23(16-22)34-3/h4-11,16,20,24-25,27-28,30H,12-15,17-19H2,1-3H3,(H,29,31)/t24-,25+/m0/s1 ADUWXOLELPWYPY-LOSJGSFVSA-N 50196580 CHEMBL401338::N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(3-methyl-butylsulfamoyl)-propionamide Beta-secretase 1 Homo sapiens 5015 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445152 104078296 CHEMBL401338 ZINC28968606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139679 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1 FSQSHDXWJKXBPP-XZWHSSHBSA-N 15797 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)-propyl]-5-methyl -N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-iodophenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL373533::hydroxyethyl secondary amine (HEA) inhibitor 6b Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search F2I 2IQG 11628951 46516082 CHEMBL373533 ZINC24904840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139680 CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C29H45N3O5S/c1-4-6-17-32(18-7-5-2)38(35,36)19-16-29(34)31-27(21-24-12-9-8-10-13-24)28(33)23-30-22-25-14-11-15-26(20-25)37-3/h8-15,20,27-28,30,33H,4-7,16-19,21-23H2,1-3H3,(H,31,34)/t27-,28+/m0/s1 SORSKESEAHGMMJ-WUFINQPMSA-N 50196574 CHEMBL253165::N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-dibutylsulfamoyl-propionamide Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2006.09.092 10.7270/Q2FX793P 17046251 Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44445155 104078290 CHEMBL253165 ZINC28968622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139681 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C35H46F2N4O5S/c1-4-9-30(10-5-2)47(45,46)23-32(41-34(43)27-13-8-14-38-21-27)35(44)40-31(18-26-16-28(36)19-29(37)17-26)33(42)22-39-20-25-12-7-11-24(6-3)15-25/h7-8,11-17,19,21,30-33,39,42H,4-6,9-10,18,20,22-23H2,1-3H3,(H,40,44)(H,41,43)/t31-,32+,33+/m0/s1 AHRNMDRWMJFRTC-WIHCDAFUSA-N 50196751 CHEMBL231862::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)nicotinamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430096 104078431 CHEMBL231862 ZINC28817319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139682 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H46F5N3O5S/c1-4-8-31(9-5-2)51(49,50)23-33(45-35(47)27-12-14-28(15-13-27)37(40,41)42)36(48)44-32(19-26-17-29(38)20-30(39)18-26)34(46)22-43-21-25-11-7-10-24(6-3)16-25/h7,10-18,20,31-34,43,46H,4-6,8-9,19,21-23H2,1-3H3,(H,44,48)(H,45,47)/t32-,33+,34+/m0/s1 BTSVYYFWIQTHSO-LBFZIJHGSA-N 50196735 CHEMBL234555::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-(trifluoromethyl)benzamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430091 104078415 CHEMBL234555 ZINC28817309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139683 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H47F2N3O6S/c1-4-9-31(10-5-2)48(46,47)23-33(41-35(44)27-13-8-14-30(42)19-27)36(45)40-32(18-26-16-28(37)20-29(38)17-26)34(43)22-39-21-25-12-7-11-24(6-3)15-25/h7-8,11-17,19-20,31-34,39,42-43H,4-6,9-10,18,21-23H2,1-3H3,(H,40,45)(H,41,44)/t32-,33+,34+/m0/s1 QDADLDKSQPFWPK-LBFZIJHGSA-N 50196747 CHEMBL266566::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-3-hydroxybenzamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430095 104078427 CHEMBL266566 ZINC28817317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139684 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H46ClF2N3O5S/c1-4-9-31(10-5-2)48(46,47)23-33(42-35(44)27-13-8-14-28(37)19-27)36(45)41-32(18-26-16-29(38)20-30(39)17-26)34(43)22-40-21-25-12-7-11-24(6-3)15-25/h7-8,11-17,19-20,31-34,40,43H,4-6,9-10,18,21-23H2,1-3H3,(H,41,45)(H,42,44)/t32-,33+,34+/m0/s1 NONROIXFLUILLP-LBFZIJHGSA-N 50196753 CHEMBL266565::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-3-chlorobenzamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430092 104078433 CHEMBL266565 ZINC28817311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139685 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H46ClF2N3O5S/c1-4-9-31(10-5-2)48(46,47)23-33(42-35(44)27-13-8-14-28(37)19-27)36(45)41-32(18-26-16-29(38)20-30(39)17-26)34(43)22-40-21-25-12-7-11-24(6-3)15-25/h7-8,11-17,19-20,31-34,40,43H,4-6,9-10,18,21-23H2,1-3H3,(H,41,45)(H,42,44)/t32-,33+,34+/m0/s1 NONROIXFLUILLP-LBFZIJHGSA-N 50196753 CHEMBL266565::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-3-chlorobenzamide Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430092 104078433 CHEMBL266565 ZINC28817311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139686 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H47F2N3O6S/c1-4-9-31(10-5-2)48(46,47)23-33(41-35(44)27-13-8-14-30(42)19-27)36(45)40-32(18-26-16-28(37)20-29(38)17-26)34(43)22-39-21-25-12-7-11-24(6-3)15-25/h7-8,11-17,19-20,31-34,39,42-43H,4-6,9-10,18,21-23H2,1-3H3,(H,40,45)(H,41,44)/t32-,33+,34+/m0/s1 QDADLDKSQPFWPK-LBFZIJHGSA-N 50196747 CHEMBL266566::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-3-hydroxybenzamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430095 104078427 CHEMBL266566 ZINC28817317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139687 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C35H46F2N4O5S/c1-4-9-30(10-5-2)47(45,46)23-32(41-34(43)27-13-8-14-38-21-27)35(44)40-31(18-26-16-28(36)19-29(37)17-26)33(42)22-39-20-25-12-7-11-24(6-3)15-25/h7-8,11-17,19,21,30-33,39,42H,4-6,9-10,18,20,22-23H2,1-3H3,(H,40,44)(H,41,43)/t31-,32+,33+/m0/s1 AHRNMDRWMJFRTC-WIHCDAFUSA-N 50196751 CHEMBL231862::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)nicotinamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430096 104078431 CHEMBL231862 ZINC28817319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139688 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H46F5N3O5S/c1-4-8-31(9-5-2)51(49,50)23-33(45-35(47)27-12-14-28(15-13-27)37(40,41)42)36(48)44-32(19-26-17-29(38)20-30(39)18-26)34(46)22-43-21-25-11-7-10-24(6-3)16-25/h7,10-18,20,31-34,43,46H,4-6,8-9,19,21-23H2,1-3H3,(H,44,48)(H,45,47)/t32-,33+,34+/m0/s1 BTSVYYFWIQTHSO-LBFZIJHGSA-N 50196735 CHEMBL234555::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-(trifluoromethyl)benzamide Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430091 104078415 CHEMBL234555 ZINC28817309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139689 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O5S/c1-5-11-31(12-6-2)48(46,47)24-34(42-36(44)32-16-9-8-13-25(32)4)37(45)41-33(20-28-18-29(38)21-30(39)19-28)35(43)23-40-22-27-15-10-14-26(7-3)17-27/h8-10,13-19,21,31,33-35,40,43H,5-7,11-12,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1 VCZZEMKHLLGOGU-BMPTZRATSA-N 50196742 CHEMBL393140::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-2-methylbenzamide Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430093 104078422 CHEMBL393140 ZINC28817313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139690 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O5S/c1-5-11-31(12-6-2)48(46,47)24-34(42-36(44)32-16-9-8-13-25(32)4)37(45)41-33(20-28-18-29(38)21-30(39)19-28)35(43)23-40-22-27-15-10-14-26(7-3)17-27/h8-10,13-19,21,31,33-35,40,43H,5-7,11-12,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1 VCZZEMKHLLGOGU-BMPTZRATSA-N 50196742 CHEMBL393140::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-2-methylbenzamide Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430093 104078422 CHEMBL393140 ZINC28817313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139691 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H48F2N4O6S/c1-4-9-31(10-5-2)49(46,47)24-33(42-36(45)48-23-27-13-8-14-39-21-27)35(44)41-32(18-28-16-29(37)19-30(38)17-28)34(43)22-40-20-26-12-7-11-25(6-3)15-26/h7-8,11-17,19,21,31-34,40,43H,4-6,9-10,18,20,22-24H2,1-3H3,(H,41,44)(H,42,45)/t32-,33+,34+/m0/s1 LGVMUCFKYMVFOU-LBFZIJHGSA-N 50196733 CHEMBL414776::pyridin-3-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10190314 104078413 CHEMBL414776 ZINC28817327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139692 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H48F2N4O6S/c1-4-8-31(9-5-2)49(46,47)24-33(42-36(45)48-23-26-12-14-39-15-13-26)35(44)41-32(19-28-17-29(37)20-30(38)18-28)34(43)22-40-21-27-11-7-10-25(6-3)16-27/h7,10-18,20,31-34,40,43H,4-6,8-9,19,21-24H2,1-3H3,(H,41,44)(H,42,45)/t32-,33+,34+/m0/s1 UDWWUBBLCSIJEP-LBFZIJHGSA-N 50196749 CHEMBL394270::pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10146748 104078429 CHEMBL394270 ZINC28817329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139693 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O6S/c1-4-11-32(12-5-2)49(46,47)25-34(42-37(45)48-24-27-13-8-7-9-14-27)36(44)41-33(20-29-18-30(38)21-31(39)19-29)35(43)23-40-22-28-16-10-15-26(6-3)17-28/h7-10,13-19,21,32-35,40,43H,4-6,11-12,20,22-25H2,1-3H3,(H,41,44)(H,42,45)/t33-,34+,35+/m0/s1 UVZYTLSBNQCQLB-BMPTZRATSA-N 50196736 CHEMBL231863::benzyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430097 104078416 CHEMBL231863 ZINC28817321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139694 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H48F2N4O6S/c1-4-8-31(9-5-2)49(46,47)24-33(42-36(45)48-23-26-12-14-39-15-13-26)35(44)41-32(19-28-17-29(37)20-30(38)18-28)34(43)22-40-21-27-11-7-10-25(6-3)16-27/h7,10-18,20,31-34,40,43H,4-6,8-9,19,21-24H2,1-3H3,(H,41,44)(H,42,45)/t32-,33+,34+/m0/s1 UDWWUBBLCSIJEP-LBFZIJHGSA-N 50196749 CHEMBL394270::pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10146748 104078429 CHEMBL394270 ZINC28817329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139695 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H48F2N4O6S/c1-4-9-31(10-5-2)49(46,47)24-33(42-36(45)48-23-27-13-8-14-39-21-27)35(44)41-32(18-28-16-29(37)19-30(38)17-28)34(43)22-40-20-26-12-7-11-25(6-3)15-26/h7-8,11-17,19,21,31-34,40,43H,4-6,9-10,18,20,22-24H2,1-3H3,(H,41,44)(H,42,45)/t32-,33+,34+/m0/s1 LGVMUCFKYMVFOU-LBFZIJHGSA-N 50196733 CHEMBL414776::pyridin-3-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10190314 104078413 CHEMBL414776 ZINC28817327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139696 CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C33H42F2N4O6S/c1-3-5-12-46(43,44)22-30(39-33(42)45-21-25-10-7-11-36-19-25)32(41)38-29(16-26-14-27(34)17-28(35)15-26)31(40)20-37-18-24-9-6-8-23(4-2)13-24/h6-11,13-15,17,19,29-31,37,40H,3-5,12,16,18,20-22H2,1-2H3,(H,38,41)(H,39,42)/t29-,30+,31+/m0/s1 YNOSWBMPGXOPJZ-OJDZSJEKSA-N 50196756 CHEMBL409949::pyridin-3-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10283187 104078436 CHEMBL409949 ZINC28817419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139697 CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C33H42F2N4O6S/c1-3-5-13-46(43,44)22-30(39-33(42)45-21-24-9-11-36-12-10-24)32(41)38-29(17-26-15-27(34)18-28(35)16-26)31(40)20-37-19-25-8-6-7-23(4-2)14-25/h6-12,14-16,18,29-31,37,40H,3-5,13,17,19-22H2,1-2H3,(H,38,41)(H,39,42)/t29-,30+,31+/m0/s1 SACCVMQJINSDGD-OJDZSJEKSA-N 50196743 CHEMBL409950::pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10122445 104078423 CHEMBL409950 ZINC28817420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139698 CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H43F2N3O6S2/c1-3-5-11-44(40,41)20-28(36-31(39)43-26-9-10-42-19-26)30(38)35-27(15-23-13-24(32)16-25(33)14-23)29(37)18-34-17-22-8-6-7-21(4-2)12-22/h6-8,12-14,16,26-29,34,37H,3-5,9-11,15,17-20H2,1-2H3,(H,35,38)(H,36,39)/t26?,27-,28+,29+/m0/s1 FMLMGLVVGNKBJT-WGAJCZKHSA-N 50196737 CHEMBL409948::S-tetrahydrofuran-3-yl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamothioate Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430109 104078417 CHEMBL409948 ZINC28817417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139699 CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H44F2N4O7S/c1-4-6-12-45(42,43)20-28(37-31(41)44-11-10-35-21(3)38)30(40)36-27(16-24-14-25(32)17-26(33)15-24)29(39)19-34-18-23-9-7-8-22(5-2)13-23/h7-9,13-15,17,27-29,34,39H,4-6,10-12,16,18-20H2,1-3H3,(H,35,38)(H,36,40)(H,37,41)/t27-,28+,29+/m0/s1 ZWVSPRDKHNVQBX-ZGIBFIJWSA-N 50196738 2-acetamidoethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL391145 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10122378 104078418 CHEMBL391145 ZINC28817418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139700 CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C33H42F2N4O6S/c1-3-5-13-46(43,44)22-30(39-33(42)45-21-24-9-11-36-12-10-24)32(41)38-29(17-26-15-27(34)18-28(35)16-26)31(40)20-37-19-25-8-6-7-23(4-2)14-25/h6-12,14-16,18,29-31,37,40H,3-5,13,17,19-22H2,1-2H3,(H,38,41)(H,39,42)/t29-,30+,31+/m0/s1 SACCVMQJINSDGD-OJDZSJEKSA-N 50196743 CHEMBL409950::pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10122445 104078423 CHEMBL409950 ZINC28817420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139701 CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C33H42F2N4O6S/c1-3-5-12-46(43,44)22-30(39-33(42)45-21-25-10-7-11-36-19-25)32(41)38-29(16-26-14-27(34)17-28(35)15-26)31(40)20-37-18-24-9-6-8-23(4-2)13-24/h6-11,13-15,17,19,29-31,37,40H,3-5,12,16,18,20-22H2,1-2H3,(H,38,41)(H,39,42)/t29-,30+,31+/m0/s1 YNOSWBMPGXOPJZ-OJDZSJEKSA-N 50196756 CHEMBL409949::pyridin-3-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10283187 104078436 CHEMBL409949 ZINC28817419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139702 CCCCS(=O)(=O)C[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C30H41F2N3O5S/c1-3-5-11-41(39,40)19-27(35-29(37)23-9-10-23)30(38)34-26(15-22-13-24(31)16-25(32)14-22)28(36)18-33-17-21-8-6-7-20(4-2)12-21/h6-8,12-14,16,23,26-28,33,36H,3-5,9-11,15,17-19H2,1-2H3,(H,34,38)(H,35,37)/t26-,27+,28+/m0/s1 DMBFECPHMQCGGC-UPRLRBBYSA-N 50196731 CHEMBL231669::N-{(S)-2-(butane-1-sulfonyl)-1-[(1S,2R)-1-(3,5-difluoro-benzyl)-3-(3-ethyl-benzylamino)-2-hydroxy-propylcarbamoyl]-ethyl}-isobutyramide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10121332 104078411 CHEMBL231669 ZINC28817348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139703 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C32H40F2N4O5S/c1-3-5-12-44(42,43)21-29(38-31(40)25-10-7-11-35-19-25)32(41)37-28(16-24-14-26(33)17-27(34)15-24)30(39)20-36-18-23-9-6-8-22(4-2)13-23/h6-11,13-15,17,19,28-30,36,39H,3-5,12,16,18,20-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1 LDWLEXMRPVCCOM-FRXPANAUSA-N 50196755 CHEMBL266567::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)nicotinamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10145940 104078435 CHEMBL266567 ZINC28817333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139704 CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C28H39F2N3O5S/c1-4-6-10-39(37,38)18-26(32-19(3)34)28(36)33-25(14-22-12-23(29)15-24(30)13-22)27(35)17-31-16-21-9-7-8-20(5-2)11-21/h7-9,11-13,15,25-27,31,35H,4-6,10,14,16-18H2,1-3H3,(H,32,34)(H,33,36)/t25-,26+,27+/m0/s1 YTOZVAMWOLDKNH-OYUWMTPXSA-N 50196741 (S)-N-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-2-acetamido-3-(butylsulfonyl)propanamide::CHEMBL232490 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10144519 104078421 CHEMBL232490 ZINC28817334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139705 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H45F2N3O6S/c1-5-9-26(10-6-2)43(40,41)20-28(36-31(39)42-4)30(38)35-27(16-23-14-24(32)17-25(33)15-23)29(37)19-34-18-22-12-8-11-21(7-3)13-22/h8,11-15,17,26-29,34,37H,5-7,9-10,16,18-20H2,1-4H3,(H,35,38)(H,36,39)/t27-,28+,29+/m0/s1 RYQRKWPMUFTILJ-ZGIBFIJWSA-N 50196745 CHEMBL414145::methyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10168098 104078425 CHEMBL414145 ZINC28817331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139706 CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C28H39F2N3O5S/c1-4-6-10-39(37,38)18-26(32-19(3)34)28(36)33-25(14-22-12-23(29)15-24(30)13-22)27(35)17-31-16-21-9-7-8-20(5-2)11-21/h7-9,11-13,15,25-27,31,35H,4-6,10,14,16-18H2,1-3H3,(H,32,34)(H,33,36)/t25-,26+,27+/m0/s1 YTOZVAMWOLDKNH-OYUWMTPXSA-N 50196741 (S)-N-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-2-acetamido-3-(butylsulfonyl)propanamide::CHEMBL232490 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10144519 104078421 CHEMBL232490 ZINC28817334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139707 CCCCS(=O)(=O)C[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C30H41F2N3O5S/c1-3-5-11-41(39,40)19-27(35-29(37)23-9-10-23)30(38)34-26(15-22-13-24(31)16-25(32)14-22)28(36)18-33-17-21-8-6-7-20(4-2)12-21/h6-8,12-14,16,23,26-28,33,36H,3-5,9-11,15,17-19H2,1-2H3,(H,34,38)(H,35,37)/t26-,27+,28+/m0/s1 DMBFECPHMQCGGC-UPRLRBBYSA-N 50196731 CHEMBL231669::N-{(S)-2-(butane-1-sulfonyl)-1-[(1S,2R)-1-(3,5-difluoro-benzyl)-3-(3-ethyl-benzylamino)-2-hydroxy-propylcarbamoyl]-ethyl}-isobutyramide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10121332 104078411 CHEMBL231669 ZINC28817348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139708 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C32H40F2N4O5S/c1-3-5-12-44(42,43)21-29(38-31(40)25-10-7-11-35-19-25)32(41)37-28(16-24-14-26(33)17-27(34)15-24)30(39)20-36-18-23-9-6-8-22(4-2)13-23/h6-11,13-15,17,19,28-30,36,39H,3-5,12,16,18,20-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1 LDWLEXMRPVCCOM-FRXPANAUSA-N 50196755 CHEMBL266567::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)nicotinamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10145940 104078435 CHEMBL266567 ZINC28817333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139709 CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C29H41F2N3O6S/c1-4-6-10-41(38,39)19-26(33-28(36)18-40-3)29(37)34-25(14-22-12-23(30)15-24(31)13-22)27(35)17-32-16-21-9-7-8-20(5-2)11-21/h7-9,11-13,15,25-27,32,35H,4-6,10,14,16-19H2,1-3H3,(H,33,36)(H,34,37)/t25-,26+,27+/m0/s1 KEKYDOCMYNKFDI-OYUWMTPXSA-N 50196748 (S)-N-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-3-(butylsulfonyl)-2-(2-methoxyacetamido)propanamide::CHEMBL398775 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10167550 104078428 CHEMBL398775 ZINC28817336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139710 CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C29H41F2N3O6S/c1-4-6-10-41(38,39)19-26(33-28(36)18-40-3)29(37)34-25(14-22-12-23(30)15-24(31)13-22)27(35)17-32-16-21-9-7-8-20(5-2)11-21/h7-9,11-13,15,25-27,32,35H,4-6,10,14,16-19H2,1-3H3,(H,33,36)(H,34,37)/t25-,26+,27+/m0/s1 KEKYDOCMYNKFDI-OYUWMTPXSA-N 50196748 (S)-N-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-3-(butylsulfonyl)-2-(2-methoxyacetamido)propanamide::CHEMBL398775 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10167550 104078428 CHEMBL398775 ZINC28817336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139711 CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C32H40F2N4O5S/c1-3-5-13-44(42,43)21-29(38-31(40)25-9-11-35-12-10-25)32(41)37-28(17-24-15-26(33)18-27(34)16-24)30(39)20-36-19-23-8-6-7-22(4-2)14-23/h6-12,14-16,18,28-30,36,39H,3-5,13,17,19-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1 KKYXFRKWFWFPDF-FRXPANAUSA-N 50196750 CHEMBL394271::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)isonicotinamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10211405 104078430 CHEMBL394271 ZINC28817357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139712 CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C32H40F2N4O5S/c1-3-5-13-44(42,43)21-29(38-31(40)25-9-11-35-12-10-25)32(41)37-28(17-24-15-26(33)18-27(34)16-24)30(39)20-36-19-23-8-6-7-22(4-2)14-23/h6-12,14-16,18,28-30,36,39H,3-5,13,17,19-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1 KKYXFRKWFWFPDF-FRXPANAUSA-N 50196750 CHEMBL394271::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)isonicotinamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10211405 104078430 CHEMBL394271 ZINC28817357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139713 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H45F2N3O6S/c1-5-9-26(10-6-2)43(40,41)20-28(36-31(39)42-4)30(38)35-27(16-23-14-24(32)17-25(33)15-23)29(37)19-34-18-22-12-8-11-21(7-3)13-22/h8,11-15,17,26-29,34,37H,5-7,9-10,16,18-20H2,1-4H3,(H,35,38)(H,36,39)/t27-,28+,29+/m0/s1 RYQRKWPMUFTILJ-ZGIBFIJWSA-N 50196745 CHEMBL414145::methyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10168098 104078425 CHEMBL414145 ZINC28817331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139764 CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C30H39F2N5O5S/c1-3-5-11-43(41,42)19-26(37-30(40)28-34-9-10-35-28)29(39)36-25(15-22-13-23(31)16-24(32)14-22)27(38)18-33-17-21-8-6-7-20(4-2)12-21/h6-10,12-14,16,25-27,33,38H,3-5,11,15,17-19H2,1-2H3,(H,34,35)(H,36,39)(H,37,40)/t25-,26+,27+/m0/s1 GVLLHWUPELWLKF-OYUWMTPXSA-N 50196757 CHEMBL391144::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)-1H-imidazole-2-carboxamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430104 104078437 CHEMBL391144 ZINC28817385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139768 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,28+,29+/m0/s1 HEINWAWHFFDZOZ-WIIGKZCBSA-N 50196734 CHEMBL409947::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10168228 104078414 CHEMBL409947 ZINC28817374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139771 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H39F2N5O5S/c1-3-5-11-44(42,43)20-28(38-30(40)27-18-34-9-10-36-27)31(41)37-26(15-23-13-24(32)16-25(33)14-23)29(39)19-35-17-22-8-6-7-21(4-2)12-22/h6-10,12-14,16,18,26,28-29,35,39H,3-5,11,15,17,19-20H2,1-2H3,(H,37,41)(H,38,40)/t26-,28+,29+/m0/s1 GTUQEIQBOYMZGW-WIIGKZCBSA-N 50196740 CHEMBL409875::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)pyrazine-2-carboxamide Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10304728 104078420 CHEMBL409875 ZINC28817376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141963 C[C@@]1(N)Cc2cc(F)cc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2 InChI=1S/C34H29F2N3O3/c1-34(38)18-22-12-21(15-29(36)16-22)6-11-31(24-7-9-28(35)10-8-24)39-32(40)27-14-23(20-42-33(34)41)13-26(17-27)30-5-3-2-4-25(30)19-37/h2-5,7-10,12-17,31H,6,11,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1 NCLDYOVAVJUCRI-QIKUIUABSA-N 50212182 2-[(5R,14R)-5-amino-9-fluoro-14-(4-fluoro-phenyl)-5-methyl-4,16-dioxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-benzonitrile::CHEMBL251309 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441744 104088196 CHEMBL251309 ZINC28950046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141964 C[C@]1(N)COCc2cc(cc(c2)C(=O)N[C@H](CCc2cccc(C1)c2)c1ccccc1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H37N3O4S/c1-34(35)22-26-11-9-10-25(18-26)16-17-32(28-12-5-3-6-13-28)36-33(38)29-19-27(23-41-24-34)20-31(21-29)37(42(2,39)40)30-14-7-4-8-15-30/h3-15,18-21,32H,16-17,22-24,35H2,1-2H3,(H,36,38)/t32-,34-/m1/s1 YQCXBXAPKBPJHP-ZFEZZJPFSA-N 50212193 CHEMBL248884::N-((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-phenyl-methanesulfonamide Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441705 104088207 CHEMBL248884 ZINC28949963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141965 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](C)NC(=O)c(c2)c1)c3)S(C)(=O)=O InChI=1S/C26H37N3O4S/c1-5-11-29(34(4,31)32)24-14-22-13-23(15-24)25(30)28-19(2)9-10-20-7-6-8-21(12-20)16-26(3,27)18-33-17-22/h6-8,12-15,19H,5,9-11,16-18,27H2,1-4H3,(H,28,30)/t19-,26+/m0/s1 VRIHLHHQRFZTNO-AFMDSPMNSA-N 50212176 CHEMBL399776::N-((5R,14S)-5-amino-5,14-dimethyl-16-oxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441718 104088190 CHEMBL399776 ZINC28949993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141966 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)CC(F)(F)F InChI=1S/C30H32F3N3O5S/c1-29(34)17-21-8-6-7-20(13-21)11-12-26(23-9-4-3-5-10-23)35-27(37)24-14-22(18-41-28(29)38)15-25(16-24)36(2)42(39,40)19-30(31,32)33/h3-10,13-16,26H,11-12,17-19,34H2,1-2H3,(H,35,37)/t26-,29-/m1/s1 LMGBDTMNESEYMB-GGXMVOPNSA-N 50212183 2,2,2-trifluoro-ethanesulfonic acid ((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-methyl-amide::CHEMBL402921 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441732 104088197 CHEMBL402921 ZINC28950030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141967 C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2 InChI=1S/C34H28F3N3O3/c1-34(39)17-20-5-11-29(36)23(13-20)8-12-31(22-6-9-26(35)10-7-22)40-32(41)25-15-21(19-43-33(34)42)14-24(16-25)27-3-2-4-30(37)28(27)18-38/h2-7,9-11,13-16,31H,8,12,17,19,39H2,1H3,(H,40,41)/t31-,34-/m1/s1 BXHPSYQIHJUXBU-QIKUIUABSA-N 50212175 2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluoro-phenyl)-5-methyl-4,16-dioxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-6-fluoro-benzonitrile::CHEMBL399425 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441748 104088189 CHEMBL399425 ZINC28950054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141968 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2 InChI=1S/C34H29F2N3O3/c1-34(38)18-22-5-2-4-21(14-22)8-13-31(24-9-11-27(35)12-10-24)39-32(40)26-16-23(20-42-33(34)41)15-25(17-26)28-6-3-7-30(36)29(28)19-37/h2-7,9-12,14-17,31H,8,13,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1 HBFIKLBNICKYKN-QIKUIUABSA-N 50212192 2-[(5R,14R)-5-amino-14-(4-fluoro-phenyl)-5-methyl-4,16-dioxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-6-fluoro-benzonitrile::CHEMBL399362 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441747 104088206 CHEMBL399362 ZINC28950052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141969 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2F InChI=1S/C34H29F2N3O3/c1-34(38)18-24-7-4-6-23(31(24)36)11-14-30(22-9-12-28(35)13-10-22)39-32(40)27-16-21(20-42-33(34)41)15-26(17-27)29-8-3-2-5-25(29)19-37/h2-10,12-13,15-17,30H,11,14,18,20,38H2,1H3,(H,39,40)/t30-,34-/m1/s1 FSUITZHTFWCAJP-KAODMTDESA-N 50212198 2-[(5R,14R)-5-amino-22-fluoro-14-(4-fluoro-phenyl)-5-methyl-4,16-dioxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-benzonitrile::CHEMBL401181 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441746 104088212 CHEMBL401181 ZINC28950050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141970 C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2 InChI=1S/C34H29F2N3O3/c1-34(38)18-21-6-12-30(36)24(14-21)9-13-31(23-7-10-28(35)11-8-23)39-32(40)27-16-22(20-42-33(34)41)15-26(17-27)29-5-3-2-4-25(29)19-37/h2-8,10-12,14-17,31H,9,13,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1 IJTWWZYQXGLRRX-QIKUIUABSA-N 50212190 2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluoro-phenyl)-5-methyl-4,16-dioxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-benzonitrile::CHEMBL251310 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441745 104088204 CHEMBL251310 ZINC28950048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141971 CCS(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 InChI=1S/C30H37N3O4S/c1-4-38(35,36)33(3)27-17-24-16-26(18-27)29(34)32-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(15-22)19-30(2,31)21-37-20-24/h5-12,15-18,28H,4,13-14,19-21,31H2,1-3H3,(H,32,34)/t28-,30-/m1/s1 QNZOLVRTSHQPDP-PQHLKRTFSA-N 50212188 CHEMBL438691::ethanesulfonic acid ((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-methyl-amide Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441710 104088202 CHEMBL438691 ZINC28949973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141972 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)N(c1ccccc1)S(C)(=O)=O)c1ccccc1)c2 InChI=1S/C34H35N3O5S/c1-34(35)22-25-11-9-10-24(18-25)16-17-31(27-12-5-3-6-13-27)36-32(38)28-19-26(23-42-33(34)39)20-30(21-28)37(43(2,40)41)29-14-7-4-8-15-29/h3-15,18-21,31H,16-17,22-23,35H2,1-2H3,(H,36,38)/t31-,34-/m1/s1 ZVKBTZREXBVSHV-QIKUIUABSA-N 50212194 CHEMBL250295::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-phenyl-methanesulfonamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441708 104088208 CHEMBL250295 ZINC28949969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141973 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)C(F)(F)F InChI=1S/C29H30F3N3O5S/c1-28(33)17-20-8-6-7-19(13-20)11-12-25(22-9-4-3-5-10-22)34-26(36)23-14-21(18-40-27(28)37)15-24(16-23)35(2)41(38,39)29(30,31)32/h3-10,13-16,25H,11-12,17-18,33H2,1-2H3,(H,34,36)/t25-,28-/m1/s1 XANFTRXAGZCIAS-LEAFIULHSA-N 50212195 CHEMBL250918::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-C,C,C-trifluoro-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441736 104088209 CHEMBL250918 ZINC28950036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141974 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](CC)NC(=O)c(c2)c1)c3)S(C)(=O)=O InChI=1S/C27H39N3O4S/c1-5-12-30(35(4,32)33)25-15-22-14-23(16-25)26(31)29-24(6-2)11-10-20-8-7-9-21(13-20)17-27(3,28)19-34-18-22/h7-9,13-16,24H,5-6,10-12,17-19,28H2,1-4H3,(H,29,31)/t24-,27+/m0/s1 XRUBSVZLJLTWKT-RPLLCQBOSA-N 50212187 CHEMBL399276::N-((5R,14S)-5-amino-14-ethyl-5-methyl-16-oxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 85 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441721 104088201 CHEMBL399276 ZINC28950002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141975 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C29H33N3O5S/c1-29(30)18-21-9-7-8-20(14-21)12-13-26(23-10-5-4-6-11-23)31-27(33)24-15-22(19-37-28(29)34)16-25(17-24)32(2)38(3,35)36/h4-11,14-17,26H,12-13,18-19,30H2,1-3H3,(H,31,33)/t26-,29-/m1/s1 LDSXQJNUHISCNC-GGXMVOPNSA-N 50212174 CHEMBL400438::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433593 104088188 CHEMBL400438 ZINC28824373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141976 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 PHHMGOKZHVGWDE-BVRKHOPBSA-N 50212178 CHEMBL248699::N-((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441701 104088192 CHEMBL248699 ZINC28949950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141977 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 LTHZWJXJHAGGMX-QIKUIUABSA-N 50212189 2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-benzonitrile::CHEMBL401180 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441743 104088203 CHEMBL401180 ZINC28950044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141978 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ncco1)c1ccccc1)c2 InChI=1S/C30H29N3O4/c1-30(31)18-21-7-5-6-20(14-21)10-11-26(23-8-3-2-4-9-23)33-27(34)24-15-22(19-37-29(30)35)16-25(17-24)28-32-12-13-36-28/h2-9,12-17,26H,10-11,18-19,31H2,1H3,(H,33,34)/t26-,30-/m1/s1 XENPPYOLQQQIFY-PDDLMNHVSA-N 50212177 (5R,14R)-5-amino-5-methyl-19-oxazol-2-yl-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaene-4,16-dione::CHEMBL251307 Beta-secretase 1 Homo sapiens 780 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441742 104088191 CHEMBL251307 ZINC28950043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141979 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C#C)c3)S(C)(=O)=O InChI=1S/C27H35N3O4S/c1-5-12-30(35(4,32)33)25-15-22-14-23(16-25)26(31)29-24(6-2)11-10-20-8-7-9-21(13-20)17-27(3,28)19-34-18-22/h2,7-9,13-16,24H,5,10-12,17-19,28H2,1,3-4H3,(H,29,31)/t24-,27+/m0/s1 ULOPSJPFKIUFAG-RPLLCQBOSA-N 50212185 CHEMBL248876::N-((5R,14R)-5-amino-14-ethynyl-5-methyl-16-oxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441727 104088199 CHEMBL248876 ZINC28950017 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141980 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(Br)cc(COC1=O)c3)c1ccccc1)c2 InChI=1S/C27H27BrN2O3/c1-27(29)16-19-7-5-6-18(12-19)10-11-24(21-8-3-2-4-9-21)30-25(31)22-13-20(14-23(28)15-22)17-33-26(27)32/h2-9,12-15,24H,10-11,16-17,29H2,1H3,(H,30,31)/t24-,27-/m1/s1 BJQQKXLXTMVJHC-SHQCIBLASA-N 50212179 (5R,14R)-5-amino-19-bromo-5-methyl-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaene-4,16-dione::CHEMBL251118 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441740 104088193 CHEMBL251118 ZINC28950041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141981 CN(C)S(=O)(=O)N(C)c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 InChI=1S/C30H36N4O5S/c1-30(31)19-22-10-8-9-21(15-22)13-14-27(24-11-6-5-7-12-24)32-28(35)25-16-23(20-39-29(30)36)17-26(18-25)34(4)40(37,38)33(2)3/h5-12,15-18,27H,13-14,19-20,31H2,1-4H3,(H,32,35)/t27-,30-/m1/s1 WQNMGAYGXFKICR-POURPWNDSA-N 50212196 (5R,14R)-5-amino-19-[(dimethylsulfamoyl)(methyl)amino]-5-methyl-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1^{7,11}]docosa-1(21),7,9,11(22),17,19-hexaene-4,16-dione::CHEMBL427884 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441738 104088210 CHEMBL427884 ZINC28950039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141982 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C(C)C)c3)S(C)(=O)=O InChI=1S/C28H41N3O4S/c1-6-12-31(36(5,33)34)25-15-23-14-24(16-25)27(32)30-26(20(2)3)11-10-21-8-7-9-22(13-21)17-28(4,29)19-35-18-23/h7-9,13-16,20,26H,6,10-12,17-19,29H2,1-5H3,(H,30,32)/t26-,28-/m1/s1 UPXDUTLYCFWYPJ-IXCJQBJRSA-N 50212191 CHEMBL250712::N-((5R,14R)-5-amino-14-isopropyl-5-methyl-16-oxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 175 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441725 104088205 CHEMBL250712 ZINC28950010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141983 CN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C29H35N3O4S/c1-29(30)18-22-9-7-8-21(14-22)12-13-27(24-10-5-4-6-11-24)31-28(33)25-15-23(19-36-20-29)16-26(17-25)32(2)37(3,34)35/h4-11,14-17,27H,12-13,18-20,30H2,1-3H3,(H,31,33)/t27-,29-/m1/s1 QQXBXYNIOWQZOP-XRKRLSELSA-N 50212186 CHEMBL250120::N-((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22,17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441704 104088200 CHEMBL250120 ZINC28949960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141984 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccc(F)cc1)c3)S(C)(=O)=O InChI=1S/C31H38FN3O4S/c1-4-14-35(40(3,37)38)28-17-24-16-26(18-28)30(36)34-29(25-9-11-27(32)12-10-25)13-8-22-6-5-7-23(15-22)19-31(2,33)21-39-20-24/h5-7,9-12,15-18,29H,4,8,13-14,19-21,33H2,1-3H3,(H,34,36)/t29-,31-/m1/s1 BFIFXMKQLBXWTB-BVRKHOPBSA-N 50212197 CHEMBL429666::N-[(5R,14R)-5-amino-14-(4-fluoro-phenyl)-5-methyl-16-oxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441716 104088211 CHEMBL429666 ZINC28949988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141985 CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 LLXSJJHSWWXYCR-GRKNLSHJSA-N 50212180 CHEMBL400530::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441703 104088194 CHEMBL400530 ZINC28949955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141986 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C1CC1)c3)S(C)(=O)=O InChI=1S/C28H39N3O4S/c1-4-12-31(36(3,33)34)25-15-22-14-24(16-25)27(32)30-26(23-9-10-23)11-8-20-6-5-7-21(13-20)17-28(2,29)19-35-18-22/h5-7,13-16,23,26H,4,8-12,17-19,29H2,1-3H3,(H,30,32)/t26-,28-/m1/s1 NAGDIXUWOKLFEY-IXCJQBJRSA-N 50212181 CHEMBL398839::N-((5R,14R)-5-amino-14-cyclopropyl-5-methyl-16-oxo-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441729 104088195 CHEMBL398839 ZINC28950025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141987 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 PHHMGOKZHVGWDE-BVRKHOPBSA-N 50212178 CHEMBL248699::N-((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441701 104088192 CHEMBL248699 ZINC28949950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141988 CC(C)S(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 InChI=1S/C31H39N3O4S/c1-22(2)39(36,37)34(4)28-17-25-16-27(18-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(15-23)19-31(3,32)21-38-20-25/h5-12,15-18,22,29H,13-14,19-21,32H2,1-4H3,(H,33,35)/t29-,31-/m1/s1 SMFYOGSQKYIJQH-BVRKHOPBSA-N 50212184 CHEMBL251533::propane-2-sulfonic acid ((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-methyl-amide Beta-secretase 1 Homo sapiens 196 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441713 104088198 CHEMBL251533 ZINC28949981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141989 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 LTHZWJXJHAGGMX-QIKUIUABSA-N 50212189 2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-benzonitrile::CHEMBL401180 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441743 104088203 CHEMBL401180 ZINC28950044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139780 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H39F2N5O5S/c1-3-5-11-44(42,43)20-28(38-30(40)27-18-34-9-10-36-27)31(41)37-26(15-23-13-24(32)16-25(33)14-23)29(39)19-35-17-22-8-6-7-21(4-2)12-22/h6-10,12-14,16,18,26,28-29,35,39H,3-5,11,15,17,19-20H2,1-2H3,(H,37,41)(H,38,40)/t26-,28+,29+/m0/s1 GTUQEIQBOYMZGW-WIIGKZCBSA-N 50196740 CHEMBL409875::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)pyrazine-2-carboxamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10304728 104078420 CHEMBL409875 ZINC28817376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139781 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H47F2N3O5S/c1-4-11-31(12-5-2)47(45,46)24-33(41-35(43)28-15-8-7-9-16-28)36(44)40-32(20-27-18-29(37)21-30(38)19-27)34(42)23-39-22-26-14-10-13-25(6-3)17-26/h7-10,13-19,21,31-34,39,42H,4-6,11-12,20,22-24H2,1-3H3,(H,40,44)(H,41,43)/t32-,33+,34+/m0/s1 DYJSRBZNIWQLJJ-LBFZIJHGSA-N 50196732 CHEMBL234762::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)benzamide Beta-secretase 1 Homo sapiens 495 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430088 104078412 CHEMBL234762 ZINC28817303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139782 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O5S/c1-5-9-32(10-6-2)48(46,47)24-34(42-36(44)29-15-13-25(4)14-16-29)37(45)41-33(20-28-18-30(38)21-31(39)19-28)35(43)23-40-22-27-12-8-11-26(7-3)17-27/h8,11-19,21,32-35,40,43H,5-7,9-10,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1 KTRQMFTUNYZEES-BMPTZRATSA-N 50196752 CHEMBL412852::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-methylbenzamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430089 104078432 CHEMBL412852 ZINC28817305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139783 CCCCS(=O)(=O)CC(NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C30H40F2N4O6S/c1-3-5-12-43(40,41)20-27(36-30(39)42-11-7-10-33)29(38)35-26(16-23-14-24(31)17-25(32)15-23)28(37)19-34-18-22-9-6-8-21(4-2)13-22/h6,8-9,13-15,17,26-28,34,37H,3-5,7,11-12,16,18-20H2,1-2H3,(H,35,38)(H,36,39)/t26-,27?,28+/m0/s1 HDSWAYTVBYZPAG-RSTHSURTSA-N 50196758 2-cyanoethyl 1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL231864 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430106 104078438 CHEMBL231864 ZINC28817398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139784 CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H44F2N4O7S/c1-4-6-12-45(42,43)20-28(37-31(41)44-11-10-35-21(3)38)30(40)36-27(16-24-14-25(32)17-26(33)15-24)29(39)19-34-18-23-9-7-8-22(5-2)13-23/h7-9,13-15,17,27-29,34,39H,4-6,10-12,16,18-20H2,1-3H3,(H,35,38)(H,36,40)(H,37,41)/t27-,28+,29+/m0/s1 ZWVSPRDKHNVQBX-ZGIBFIJWSA-N 50196738 2-acetamidoethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL391145 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10122378 104078418 CHEMBL391145 ZINC28817418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139785 CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H43F2N3O6S2/c1-3-5-11-44(40,41)20-28(36-31(39)43-26-9-10-42-19-26)30(38)35-27(15-23-13-24(32)16-25(33)14-23)29(37)18-34-17-22-8-6-7-21(4-2)12-22/h6-8,12-14,16,26-29,34,37H,3-5,9-11,15,17-20H2,1-2H3,(H,35,38)(H,36,39)/t26?,27-,28+,29+/m0/s1 FMLMGLVVGNKBJT-WGAJCZKHSA-N 50196737 CHEMBL409948::S-tetrahydrofuran-3-yl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamothioate Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430109 104078417 CHEMBL409948 ZINC28817417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139786 CCCCS(=O)(=O)CC(NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C30H40F2N4O6S/c1-3-5-12-43(40,41)20-27(36-30(39)42-11-7-10-33)29(38)35-26(16-23-14-24(31)17-25(32)15-23)28(37)19-34-18-22-9-6-8-21(4-2)13-22/h6,8-9,13-15,17,26-28,34,37H,3-5,7,11-12,16,18-20H2,1-2H3,(H,35,38)(H,36,39)/t26-,27?,28+/m0/s1 HDSWAYTVBYZPAG-RSTHSURTSA-N 50196758 2-cyanoethyl 1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL231864 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430106 104078438 CHEMBL231864 ZINC28817398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139787 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O5S/c1-5-9-32(10-6-2)48(46,47)24-34(42-36(44)29-15-13-25(4)14-16-29)37(45)41-33(20-28-18-30(38)21-31(39)19-28)35(43)23-40-22-27-12-8-11-26(7-3)17-27/h8,11-19,21,32-35,40,43H,5-7,9-10,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1 KTRQMFTUNYZEES-BMPTZRATSA-N 50196752 CHEMBL412852::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-methylbenzamide Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430089 104078432 CHEMBL412852 ZINC28817305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139788 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C36H47F2N3O5S/c1-4-11-31(12-5-2)47(45,46)24-33(41-35(43)28-15-8-7-9-16-28)36(44)40-32(20-27-18-29(37)21-30(38)19-27)34(42)23-39-22-26-14-10-13-25(6-3)17-26/h7-10,13-19,21,31-34,39,42H,4-6,11-12,20,22-24H2,1-3H3,(H,40,44)(H,41,43)/t32-,33+,34+/m0/s1 DYJSRBZNIWQLJJ-LBFZIJHGSA-N 50196732 CHEMBL234762::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)benzamide Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430088 104078412 CHEMBL234762 ZINC28817303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139789 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O6S/c1-5-9-32(10-6-2)49(46,47)24-34(42-36(44)28-13-15-31(48-4)16-14-28)37(45)41-33(20-27-18-29(38)21-30(39)19-27)35(43)23-40-22-26-12-8-11-25(7-3)17-26/h8,11-19,21,32-35,40,43H,5-7,9-10,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1 YBJGTORHNOALQH-BMPTZRATSA-N 50196746 CHEMBL231861::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-methoxybenzamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430090 104078426 CHEMBL231861 ZINC28817307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139790 CCCCS(=O)(=O)C[C@@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C29H38F5N3O6S/c1-3-5-9-44(41,42)17-25(37-28(40)43-18-29(32,33)34)27(39)36-24(13-21-11-22(30)14-23(31)12-21)26(38)16-35-15-20-8-6-7-19(4-2)10-20/h6-8,10-12,14,24-26,35,38H,3-5,9,13,15-18H2,1-2H3,(H,36,39)(H,37,40)/t24-,25+,26+/m0/s1 SFIPFERDZPGSNY-JIMJEQGWSA-N 50196744 2,2,2-trifluoroethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL231865 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10146227 104078424 CHEMBL231865 ZINC28817408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139791 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C37H49F2N3O6S/c1-5-9-32(10-6-2)49(46,47)24-34(42-36(44)28-13-15-31(48-4)16-14-28)37(45)41-33(20-27-18-29(38)21-30(39)19-27)35(43)23-40-22-26-12-8-11-25(7-3)17-26/h8,11-19,21,32-35,40,43H,5-7,9-10,20,22-24H2,1-4H3,(H,41,45)(H,42,44)/t33-,34+,35+/m0/s1 YBJGTORHNOALQH-BMPTZRATSA-N 50196746 CHEMBL231861::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-4-methoxybenzamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430090 104078426 CHEMBL231861 ZINC28817307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139792 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccc1O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C32H40F2N4O6S/c1-3-5-11-45(43,44)20-28(38-31(41)26-18-35-10-9-29(26)39)32(42)37-27(15-23-13-24(33)16-25(34)14-23)30(40)19-36-17-22-8-6-7-21(4-2)12-22/h6-10,12-14,16,18,27-28,30,36,40H,3-5,11,15,17,19-20H2,1-2H3,(H,35,39)(H,37,42)(H,38,41)/t27-,28+,30+/m0/s1 UNVBTVJSVLCZTN-PKZQBKLLSA-N 50196739 CHEMBL266531::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)-4-hydroxynicotinamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430105 104078419 CHEMBL266531 ZINC28817392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139793 CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C30H39F2N5O5S/c1-3-5-11-43(41,42)19-26(37-30(40)28-34-9-10-35-28)29(39)36-25(15-22-13-23(31)16-24(32)14-22)27(38)18-33-17-21-8-6-7-20(4-2)12-21/h6-10,12-14,16,25-27,33,38H,3-5,11,15,17-19H2,1-2H3,(H,34,35)(H,36,39)(H,37,40)/t25-,26+,27+/m0/s1 GVLLHWUPELWLKF-OYUWMTPXSA-N 50196757 CHEMBL391144::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)-1H-imidazole-2-carboxamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430104 104078437 CHEMBL391144 ZINC28817385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139794 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccc1O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C32H40F2N4O6S/c1-3-5-11-45(43,44)20-28(38-31(41)26-18-35-10-9-29(26)39)32(42)37-27(15-23-13-24(33)16-25(34)14-23)30(40)19-36-17-22-8-6-7-21(4-2)12-22/h6-10,12-14,16,18,27-28,30,36,40H,3-5,11,15,17,19-20H2,1-2H3,(H,35,39)(H,37,42)(H,38,41)/t27-,28+,30+/m0/s1 UNVBTVJSVLCZTN-PKZQBKLLSA-N 50196739 CHEMBL266531::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)-4-hydroxynicotinamide Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44430105 104078419 CHEMBL266531 ZINC28817392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139795 CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C28H39F2N3O6S/c1-4-6-10-40(37,38)18-25(33-28(36)39-3)27(35)32-24(14-21-12-22(29)15-23(30)13-21)26(34)17-31-16-20-9-7-8-19(5-2)11-20/h7-9,11-13,15,24-26,31,34H,4-6,10,14,16-18H2,1-3H3,(H,32,35)(H,33,36)/t24-,25+,26+/m0/s1 PWINHDRBCUZSHX-JIMJEQGWSA-N 50196754 CHEMBL393733::methyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10281819 104078434 CHEMBL393733 ZINC28817393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139796 CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C28H39F2N3O6S/c1-4-6-10-40(37,38)18-25(33-28(36)39-3)27(35)32-24(14-21-12-22(29)15-23(30)13-21)26(34)17-31-16-20-9-7-8-19(5-2)11-20/h7-9,11-13,15,24-26,31,34H,4-6,10,14,16-18H2,1-3H3,(H,32,35)(H,33,36)/t24-,25+,26+/m0/s1 PWINHDRBCUZSHX-JIMJEQGWSA-N 50196754 CHEMBL393733::methyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamate Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10281819 104078434 CHEMBL393733 ZINC28817393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50139775 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,28+,29+/m0/s1 HEINWAWHFFDZOZ-WIIGKZCBSA-N 50196734 CHEMBL409947::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2006.09.091 10.7270/Q22N51X6 17049233 Freskos, JN; Fobian, YM; Benson, TE; Moon, JB; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10168228 104078414 CHEMBL409947 ZINC28817374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50141990 CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 LLXSJJHSWWXYCR-GRKNLSHJSA-N 50212180 CHEMBL400530::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2007.04.072 10.7270/Q2Q81CS4 17482814 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441703 104088194 CHEMBL400530 ZINC28949955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143013 CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 InChI=1S/C24H32F2N4O4S/c1-14(2)35(33,34)30(4)23-10-17(9-22(29-23)27-12-18-5-15(18)3)24(32)28-21(13-31)8-16-6-19(25)11-20(26)7-16/h6-7,9-11,14-15,18,21,31H,5,8,12-13H2,1-4H3,(H,27,29)(H,28,32)/t15-,18+,21-/m0/s1 AURIBKKPUXEPLA-KLHJMIIUSA-N 50216179 CHEMBL395084::N-[(1S)-1-benzyl-2-hydroxyethyl]-2-[(isopropylsulfonyl)(methyl)amino]-6-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)isonicotinamide Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426296 104090621 CHEMBL395084 ZINC28706456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143014 COC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C InChI=1S/C25H35F2N5O4S/c1-15-6-18(15)13-31(2)23-10-17(11-24(30-23)32(3)37(5,34)35)25(33)29-22(21(28)14-36-4)9-16-7-19(26)12-20(27)8-16/h7-8,10-12,15,18,21-22H,6,9,13-14,28H2,1-5H3,(H,29,33)/t15-,18+,21-,22-/m0/s1 ZNARZYKTJODECI-XSLZUNGDSA-N 50216175 CHEMBL425828::N-[(1S,2R)-2-amino-1-benzyl-3-methoxypropyl]-2-(methyl{[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens 173 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426298 104090617 CHEMBL425828 ZINC28706469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143015 CC(C)S(=O)(=O)N(C)c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](N)CF InChI=1S/C26H36F3N5O3S/c1-15(2)38(36,37)34(5)25-11-18(10-24(32-25)33(4)14-19-6-16(19)3)26(35)31-23(22(30)13-27)9-17-7-20(28)12-21(29)8-17/h7-8,10-12,15-16,19,22-23H,6,9,13-14,30H2,1-5H3,(H,31,35)/t16-,19+,22-,23-/m0/s1 SPKBGXFBJNXHQG-IHJXWSBQSA-N 50216174 CHEMBL230355::N-[(1S,2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[(isopropylsulfonyl)(methyl)amino]-6-(methyl{[(1S,2S)-2-methylcyclopropyl]methyl}amino)isonicotinamide Beta-secretase 1 Homo sapiens 910 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426299 104090616 CHEMBL230355 ZINC28706472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143016 CCCN(CC1CC1)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 InChI=1S/C26H36F2N4O4S/c1-5-8-32(15-18-6-7-18)25-13-20(12-24(30-25)31(4)37(35,36)17(2)3)26(34)29-23(16-33)11-19-9-21(27)14-22(28)10-19/h9-10,12-14,17-18,23,33H,5-8,11,15-16H2,1-4H3,(H,29,34)/t23-/m0/s1 IKGRUPPYIQOVJN-QHCPKHFHSA-N 50216178 CHEMBL394850::N-[(1S)-1-benzyl-2-hydroxyethyl]-2-[(cyclopropylmethyl)(propyl)amino]-6-[(isopropylsulfonyl)(methyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426295 104090620 CHEMBL394850 ZINC28706454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143017 CN(c1cc(cc(NCC2CC2)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1)S(C)(=O)=O InChI=1S/C21H26F2N4O4S/c1-27(32(2,30)31)20-9-15(8-19(26-20)24-11-13-3-4-13)21(29)25-18(12-28)7-14-5-16(22)10-17(23)6-14/h5-6,8-10,13,18,28H,3-4,7,11-12H2,1-2H3,(H,24,26)(H,25,29)/t18-/m0/s1 ACFXYVAYTWMZGA-SFHVURJKSA-N 50216177 CHEMBL230349::N-[(1S)-1-benzyl-2-hydroxyethyl]-2-[(cyclopropylmethyl)amino]-6-[methyl(methylsulfonyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11317313 104090619 CHEMBL230349 ZINC28706452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143018 CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF InChI=1S/C25H36FN5O3S/c1-16(2)35(33,34)31(4)24-13-19(12-23(30-24)28-15-20-10-17(20)3)25(32)29-22(21(27)14-26)11-18-8-6-5-7-9-18/h5-9,12-13,16-17,20-22H,10-11,14-15,27H2,1-4H3,(H,28,30)(H,29,32)/t17-,20+,21-,22-/m0/s1 SIBWATARUGFMIW-XGARDCMYSA-N 50216173 CHEMBL230245::N-[(1S,2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[(isopropylsulfonyl)(methyl)amino]-6-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)isonicotinamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11720331 104090615 CHEMBL230245 ZINC28706449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143019 CCCN(CC1CC1)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 InChI=1S/C26H36F2N4O4S/c1-5-8-32(15-18-6-7-18)25-13-20(12-24(30-25)31(4)37(35,36)17(2)3)26(34)29-23(16-33)11-19-9-21(27)14-22(28)10-19/h9-10,12-14,17-18,23,33H,5-8,11,15-16H2,1-4H3,(H,29,34)/t23-/m0/s1 IKGRUPPYIQOVJN-QHCPKHFHSA-N 50216178 CHEMBL394850::N-[(1S)-1-benzyl-2-hydroxyethyl]-2-[(cyclopropylmethyl)(propyl)amino]-6-[(isopropylsulfonyl)(methyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens >20000 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426295 104090620 CHEMBL394850 ZINC28706454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143020 CC(C)S(=O)(=O)N(C)c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](N)CF InChI=1S/C26H36F3N5O3S/c1-15(2)38(36,37)34(5)25-11-18(10-24(32-25)33(4)14-19-6-16(19)3)26(35)31-23(22(30)13-27)9-17-7-20(28)12-21(29)8-17/h7-8,10-12,15-16,19,22-23H,6,9,13-14,30H2,1-5H3,(H,31,35)/t16-,19+,22-,23-/m0/s1 SPKBGXFBJNXHQG-IHJXWSBQSA-N 50216174 CHEMBL230355::N-[(1S,2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[(isopropylsulfonyl)(methyl)amino]-6-(methyl{[(1S,2S)-2-methylcyclopropyl]methyl}amino)isonicotinamide Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426299 104090616 CHEMBL230355 ZINC28706472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143021 COC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C InChI=1S/C25H35F2N5O4S/c1-15-6-18(15)13-31(2)23-10-17(11-24(30-23)32(3)37(5,34)35)25(33)29-22(21(28)14-36-4)9-16-7-19(26)12-20(27)8-16/h7-8,10-12,15,18,21-22H,6,9,13-14,28H2,1-5H3,(H,29,33)/t15-,18+,21-,22-/m0/s1 ZNARZYKTJODECI-XSLZUNGDSA-N 50216175 CHEMBL425828::N-[(1S,2R)-2-amino-1-benzyl-3-methoxypropyl]-2-(methyl{[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426298 104090617 CHEMBL425828 ZINC28706469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143022 CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 InChI=1S/C24H32F2N4O4S/c1-14(2)35(33,34)30(4)23-10-17(9-22(29-23)27-12-18-5-15(18)3)24(32)28-21(13-31)8-16-6-19(25)11-20(26)7-16/h6-7,9-11,14-15,18,21,31H,5,8,12-13H2,1-4H3,(H,27,29)(H,28,32)/t15-,18+,21-/m0/s1 AURIBKKPUXEPLA-KLHJMIIUSA-N 50216179 CHEMBL395084::N-[(1S)-1-benzyl-2-hydroxyethyl]-2-[(isopropylsulfonyl)(methyl)amino]-6-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)isonicotinamide Beta-secretase 1 Homo sapiens >20000 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426296 104090621 CHEMBL395084 ZINC28706456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143023 CC1CC1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1cc(F)cc(F)c1 InChI=1S/C22H29F2N5O3S/c1-13-4-16(13)12-26-20-8-15(9-21(28-20)29(2)33(3,31)32)22(30)27-19(11-25)7-14-5-17(23)10-18(24)6-14/h5-6,8-10,13,16,19H,4,7,11-12,25H2,1-3H3,(H,26,28)(H,27,30)/t13?,16?,19-/m0/s1 SGGMSEUTLOBCFL-ZVYVSMAVSA-N 50216176 CHEMBL230250::N-[(1S)-2-amino-1-benzylethyl]-2-{trans-[(2-methylcyclopropyl)methyl]amino}-6-[methyl(methylsulfonyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426297 104090618 CHEMBL230250 ZINC28706466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143024 CC1CC1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1cc(F)cc(F)c1 InChI=1S/C22H29F2N5O3S/c1-13-4-16(13)12-26-20-8-15(9-21(28-20)29(2)33(3,31)32)22(30)27-19(11-25)7-14-5-17(23)10-18(24)6-14/h5-6,8-10,13,16,19H,4,7,11-12,25H2,1-3H3,(H,26,28)(H,27,30)/t13?,16?,19-/m0/s1 SGGMSEUTLOBCFL-ZVYVSMAVSA-N 50216176 CHEMBL230250::N-[(1S)-2-amino-1-benzylethyl]-2-{trans-[(2-methylcyclopropyl)methyl]amino}-6-[methyl(methylsulfonyl)amino]isonicotinamide Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44426297 104090618 CHEMBL230250 ZINC28706466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50143025 CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF InChI=1S/C25H36FN5O3S/c1-16(2)35(33,34)31(4)24-13-19(12-23(30-24)28-15-20-10-17(20)3)25(32)29-22(21(27)14-26)11-18-8-6-5-7-9-18/h5-9,12-13,16-17,20-22H,10-11,14-15,27H2,1-4H3,(H,28,30)(H,29,32)/t17-,20+,21-,22-/m0/s1 SIBWATARUGFMIW-XGARDCMYSA-N 50216173 CHEMBL230245::N-[(1S,2R)-2-amino-1-benzyl-3-fluoropropyl]-2-[(isopropylsulfonyl)(methyl)amino]-6-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)isonicotinamide Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/jm070272d 10.7270/Q2BC3Z7C 17583334 Stanton, MG; Stauffer, SR; Gregro, AR; Steinbeiser, M; Nantermet, P; Sankaranarayanan, S; Price, EA; Wu, G; Crouthamel, MC; Ellis, J; Lai, MT; Espeseth, AS; Shi, XP; Jin, L; Colussi, D; Pietrak, B; Huang, Q; Xu, M; Simon, AJ; Graham, SL; Vacca, JP; Selnick, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11720331 104090615 CHEMBL230245 ZINC28706449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145425 NC1=NC(CC(=O)N1)c1ccc(Cl)c(Cl)c1 InChI=1S/C10H9Cl2N3O/c11-6-2-1-5(3-7(6)12)8-4-9(16)15-10(13)14-8/h1-3,8H,4H2,(H3,13,14,15,16) UZBGOMQLPVPSHH-UHFFFAOYSA-N 50226451 2-amino-6-(3,4-dichlorophenyl)-5,6-dihydropyrimidin-4(3H)-one::CHEMBL235763 Beta-secretase 1 Homo sapiens 480000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23730803 104097107 CHEMBL235763 ZINC28826896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145426 COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1 VDFBMQAUECXNKR-OAQYLSRUSA-N 50226448 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::(R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239857 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C27 2VA7 16040323 104097104 CHEMBL239857 DB07519 ZINC11536247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145427 COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1 VDFBMQAUECXNKR-OAQYLSRUSA-N 50226448 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::(R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239857 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C27 2VA7 16040323 104097104 CHEMBL239857 DB07519 ZINC11536247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145428 Cn1c(N)nc(CCc2ccccc2)cc1=O InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15) MALAKURYZJFBLT-UHFFFAOYSA-N 50226446 2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one::CHEMBL237888 Beta-secretase 1 Homo sapiens 220000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16722358 104097102 CHEMBL237888 ZINC28826886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145429 CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16) XICGXUBMFPRVMO-UHFFFAOYSA-N 50226440 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239425 Beta-secretase 1 Homo sapiens 3500 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11666379 104097096 CHEMBL239425 ZINC28827213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145430 COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21) LQOCXPOKEPYGTJ-UHFFFAOYSA-N 50226442 2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL392662 Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H24 4FS4,2VA6 11594966 104097098 CHEMBL392662 ZINC28827216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145431 Cn1c(N)nc(CCc2cccc(c2)-c2cccnc2)cc1=O InChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21) JKPVKTCZXDPUPX-UHFFFAOYSA-N 50226457 6-(3-(pyridin-3-yl)phenethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL235753 Beta-secretase 1 Homo sapiens 190000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11587584 104097113 CHEMBL235753 ZINC28826890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145432 Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O InChI=1S/C17H17N3O/c1-20-16(21)11-15(19-17(20)18)9-7-12-6-8-13-4-2-3-5-14(13)10-12/h2-6,8,10-11H,7,9H2,1H3,(H2,18,19) LTYRZHLAUJRMPD-UHFFFAOYSA-N 50226441 2-amino-3-methyl-6-(2-(naphthalen-2-yl)ethyl)pyrimidin-4(3H)-one::CHEMBL237889 Beta-secretase 1 Homo sapiens 36000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11594328 104097097 CHEMBL237889 ZINC28826887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145433 CC1(CC(=O)NC(N)=N1)c1ccc(Cl)c(Cl)c1 InChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17) BSPRSYCGMJBMNU-UHFFFAOYSA-N 50226458 2-amino-6-(3,4-dichlorophenyl)-6-methyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL397162 Beta-secretase 1 Homo sapiens 82000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11565289 104097114 CHEMBL397162 ZINC28827211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145434 Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O InChI=1S/C17H18N4O/c1-21-16(22)11-14(20-17(21)18)8-7-12-4-2-5-13(10-12)15-6-3-9-19-15/h2-6,9-11,19H,7-8H2,1H3,(H2,18,20) FIWKGPGHVQEJNS-UHFFFAOYSA-N 50226444 6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL396830 Beta-secretase 1 Homo sapiens 120000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11673750 104097100 CHEMBL396830 ZINC28826891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145435 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22) VPYGLYRRXAUOPL-UHFFFAOYSA-N 50226453 2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL235754 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11652923 104097109 CHEMBL235754 ZINC28826892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145436 Cn1c(N)nc(CCc2ccccc2)cc1=O InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15) MALAKURYZJFBLT-UHFFFAOYSA-N 50226446 2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one::CHEMBL237888 Beta-secretase 1 Homo sapiens 180000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16722358 104097102 CHEMBL237888 ZINC28826886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145437 CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16) XICGXUBMFPRVMO-UHFFFAOYSA-N 50226440 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239425 Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11666379 104097096 CHEMBL239425 ZINC28827213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145438 Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O InChI=1S/C17H17N3O/c1-20-16(21)11-15(19-17(20)18)9-7-12-6-8-13-4-2-3-5-14(13)10-12/h2-6,8,10-11H,7,9H2,1H3,(H2,18,19) LTYRZHLAUJRMPD-UHFFFAOYSA-N 50226441 2-amino-3-methyl-6-(2-(naphthalen-2-yl)ethyl)pyrimidin-4(3H)-one::CHEMBL237889 Beta-secretase 1 Homo sapiens 28000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11594328 104097097 CHEMBL237889 ZINC28826887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145439 Cn1c(N)nc(CCc2ccccc2)cc1=O InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15) MALAKURYZJFBLT-UHFFFAOYSA-N 50226446 2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one::CHEMBL237888 Beta-secretase 1 Homo sapiens 150000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16722358 104097102 CHEMBL237888 ZINC28826886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145440 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22) VPYGLYRRXAUOPL-UHFFFAOYSA-N 50226453 2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL235754 Beta-secretase 1 Homo sapiens 91000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11652923 104097109 CHEMBL235754 ZINC28826892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145441 CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22) CWIATWAMZSVNNY-UHFFFAOYSA-N 50226455 2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL239640 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11638363 104097111 CHEMBL239640 ZINC28827220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145442 COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21) LQOCXPOKEPYGTJ-UHFFFAOYSA-N 50226442 2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL392662 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H24 4FS4,2VA6 11594966 104097098 CHEMBL392662 ZINC28827216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145443 Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O InChI=1S/C17H17N3O/c1-20-16(21)11-15(19-17(20)18)9-7-12-6-8-13-4-2-3-5-14(13)10-12/h2-6,8,10-11H,7,9H2,1H3,(H2,18,19) LTYRZHLAUJRMPD-UHFFFAOYSA-N 50226441 2-amino-3-methyl-6-(2-(naphthalen-2-yl)ethyl)pyrimidin-4(3H)-one::CHEMBL237889 Beta-secretase 1 Homo sapiens 27000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11594328 104097097 CHEMBL237889 ZINC28826887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145444 Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O InChI=1S/C17H18N4O/c1-21-16(22)11-14(20-17(21)18)8-7-12-4-2-5-13(10-12)15-6-3-9-19-15/h2-6,9-11,19H,7-8H2,1H3,(H2,18,20) FIWKGPGHVQEJNS-UHFFFAOYSA-N 50226444 6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL396830 Beta-secretase 1 Homo sapiens 99000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11673750 104097100 CHEMBL396830 ZINC28826891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145445 Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18) IEVOMHWKXAILLY-UHFFFAOYSA-N 50226443 6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL237891 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11565240 104097099 CHEMBL237891 ZINC28826888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145446 CN1C(=O)CC(C)(CCc2ccccc2)N=C1N InChI=1S/C14H19N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7H,8-10H2,1-2H3,(H2,15,16) NHJCZSSEYRWDOJ-UHFFFAOYSA-N 50226456 2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL239639 Beta-secretase 1 Homo sapiens 34000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B3 3WB4 11630139 104097112 CHEMBL239639 ZINC28827218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145447 CC1(CC(=O)NC(N)=N1)c1ccc(Cl)c(Cl)c1 InChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17) BSPRSYCGMJBMNU-UHFFFAOYSA-N 50226458 2-amino-6-(3,4-dichlorophenyl)-6-methyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL397162 Beta-secretase 1 Homo sapiens 79000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11565289 104097114 CHEMBL397162 ZINC28827211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145448 COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21) LQOCXPOKEPYGTJ-UHFFFAOYSA-N 50226442 2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL392662 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H24 4FS4,2VA6 11594966 104097098 CHEMBL392662 ZINC28827216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145449 Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18) IEVOMHWKXAILLY-UHFFFAOYSA-N 50226443 6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL237891 Beta-secretase 1 Homo sapiens 77000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11565240 104097099 CHEMBL237891 ZINC28826888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145450 CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16) XICGXUBMFPRVMO-UHFFFAOYSA-N 50226440 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239425 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11666379 104097096 CHEMBL239425 ZINC28827213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145451 Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18) IEVOMHWKXAILLY-UHFFFAOYSA-N 50226443 6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL237891 Beta-secretase 1 Homo sapiens 46000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11565240 104097099 CHEMBL237891 ZINC28826888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145452 COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21) LQOCXPOKEPYGTJ-UHFFFAOYSA-N 50226442 2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL392662 Beta-secretase 1 Homo sapiens 91000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H24 4FS4,2VA6 11594966 104097098 CHEMBL392662 ZINC28827216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145453 CN1C(=O)CC(C)(N=C1N)c1ccccc1 InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14) URQFBHCCEWZHPM-UHFFFAOYSA-N 50226447 2-amino-3,6-dimethyl-6-phenyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239638 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23731036 104097103 CHEMBL239638 ZINC28827215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145454 Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21) OJPMWSXHQIEAMR-UHFFFAOYSA-N 50226449 2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL393501 Beta-secretase 1 Homo sapiens 29000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11623676 104097105 CHEMBL393501 ZINC28826889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145455 Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21) OJPMWSXHQIEAMR-UHFFFAOYSA-N 50226449 2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL393501 Beta-secretase 1 Homo sapiens 30000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11623676 104097105 CHEMBL393501 ZINC28826889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145456 CN1C(=O)CC(C)(N=C1N)c1ccccc1 InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14) URQFBHCCEWZHPM-UHFFFAOYSA-N 50226447 2-amino-3,6-dimethyl-6-phenyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239638 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23731036 104097103 CHEMBL239638 ZINC28827215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145457 CN1C(=O)CC(C)(N=C1N)c1ccccc1 InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14) URQFBHCCEWZHPM-UHFFFAOYSA-N 50226447 2-amino-3,6-dimethyl-6-phenyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239638 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23731036 104097103 CHEMBL239638 ZINC28827215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145458 Cn1c(N)nc(CCc2cccc(c2)-c2cccnc2)cc1=O InChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21) JKPVKTCZXDPUPX-UHFFFAOYSA-N 50226457 6-(3-(pyridin-3-yl)phenethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL235753 Beta-secretase 1 Homo sapiens 24000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11587584 104097113 CHEMBL235753 ZINC28826890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145459 COc1cccc(c1)-c1cccc(CC[C@@]2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m0/s1 VDFBMQAUECXNKR-NRFANRHFSA-N 50226450 (S)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239641 Beta-secretase 1 Homo sapiens 35000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23731038 104097106 CHEMBL239641 ZINC28827221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145460 Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1 InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19) VRAZIAJSKFRSIP-UHFFFAOYSA-N 50226445 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one::CHEMBL236777 Beta-secretase 1 Homo sapiens 130000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C8C 2VA5 11651760 104097101 CHEMBL236777 DB07535 ZINC28826876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145461 CC1(CC(=O)NC(N)=N1)c1ccccc1 InChI=1S/C11H13N3O/c1-11(8-5-3-2-4-6-8)7-9(15)13-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14,15) CJGRNSIXWOGIIC-UHFFFAOYSA-N 50226452 2-amino-6-methyl-6-phenyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL238087 Beta-secretase 1 Homo sapiens 190000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23730921 104097108 CHEMBL238087 ZINC28826894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145462 Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O InChI=1S/C17H18N4O/c1-21-16(22)11-14(20-17(21)18)8-7-12-4-2-5-13(10-12)15-6-3-9-19-15/h2-6,9-11,19H,7-8H2,1H3,(H2,18,20) FIWKGPGHVQEJNS-UHFFFAOYSA-N 50226444 6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpyrimidin-4(3H)-one::CHEMBL396830 Beta-secretase 1 Homo sapiens 51000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11673750 104097100 CHEMBL396830 ZINC28826891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145463 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22) VPYGLYRRXAUOPL-UHFFFAOYSA-N 50226453 2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL235754 Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11652923 104097109 CHEMBL235754 ZINC28826892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145464 CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22) CWIATWAMZSVNNY-UHFFFAOYSA-N 50226455 2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL239640 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11638363 104097111 CHEMBL239640 ZINC28827220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147861 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1 JWYOKBPWLVCFKU-ICYKMPLBSA-N 50227337 CHEMBL257278::N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-((2R,4S)-4-ethoxypiperidin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SC7 2QP8 11592145 104097378 CHEMBL257278 ZINC16052468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147862 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1 JWYOKBPWLVCFKU-ICYKMPLBSA-N 50227337 CHEMBL257278::N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-((2R,4S)-4-ethoxypiperidin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 106 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SC7 2QP8 11592145 104097378 CHEMBL257278 ZINC16052468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147863 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1 XKXGRRZAMDHVGR-CPCREDONSA-N 50271626 CHEMBL509210::N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 316 3CIC 24808497 104116347 CHEMBL509210 ZINC24975929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147864 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1 XKXGRRZAMDHVGR-CPCREDONSA-N 50271626 CHEMBL509210::N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 316 3CIC 24808497 104116347 CHEMBL509210 ZINC24975929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147865 CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C28H34F2N4O4/c1-2-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(10-8-31-25)16-18-6-4-3-5-7-18/h3-7,11-12,15,20,23,25-26,31,36H,2,8-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1 JCCWMUSWEZOVDK-NLFSCDDMSA-N 50271632 CHEMBL490463::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxo-1-propylpyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 510 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586338 104116353 CHEMBL490463 ZINC49878178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147866 CCCCN1CC([C@@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C36H42F2N4O4/c1-2-3-15-41-23-30(29(35(41)45)19-24-10-6-4-7-11-24)34(44)40-31(20-26-17-27(37)21-28(38)18-26)33(43)32-36(46)42(16-14-39-32)22-25-12-8-5-9-13-25/h4-13,17-18,21,29-33,39,43H,2-3,14-16,19-20,22-23H2,1H3,(H,40,44)/t29-,30?,31+,32+,33+/m1/s1 GSCMPCDIQRJBIW-ARNVELDISA-N 50271767 (4R)-4-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide::CHEMBL445693 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586454 104116396 CHEMBL445693 ZINC44305522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147867 COC[C@H]1CCCN1C(=O)c1cncc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C33H37F2N5O5/c1-45-20-27-8-5-10-40(27)32(43)24-15-23(17-36-18-24)31(42)38-28(14-22-12-25(34)16-26(35)13-22)30(41)29-33(44)39(11-9-37-29)19-21-6-3-2-4-7-21/h2-4,6-7,12-13,15-18,27-30,37,41H,5,8-11,14,19-20H2,1H3,(H,38,42)/t27-,28+,29+,30+/m1/s1 UQRTVLFQCWOQFH-RYTSNQFKSA-N 50271631 CHEMBL511110::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)nicotinamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11643019 104116352 CHEMBL511110 ZINC42851749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147868 COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H40F2N4O6/c1-46-21-28-9-6-11-41(28)34(44)25-16-24(17-29(18-25)47-2)33(43)39-30(15-23-13-26(36)19-27(37)14-23)32(42)31-35(45)40(12-10-38-31)20-22-7-4-3-5-8-22/h3-5,7-8,13-14,16-19,28,30-32,38,42H,6,9-12,15,20-21H2,1-2H3,(H,39,43)/t28-,30+,31+,32+/m1/s1 JDWZGDGLKJPHMC-DNUNIWOASA-N 50271630 CHEMBL453413::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-methoxy-5-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamide Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586337 104116351 CHEMBL453413 ZINC49844725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147869 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C34H38F2N4O5/c1-21-11-24(16-25(12-21)33(43)40-10-6-9-28(40)19-45-2)32(42)38-29(15-23-13-26(35)17-27(36)14-23)31(41)30-34(44)39(20-37-30)18-22-7-4-3-5-8-22/h3-5,7-8,11-14,16-17,28-31,37,41H,6,9-10,15,18-20H2,1-2H3,(H,38,42)/t28-,29+,30+,31+/m1/s1 AZIDRLBRXVEARS-BHSUFKTOSA-N 50271629 CHEMBL451950::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586336 104116350 CHEMBL451950 ZINC44352085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147870 COCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C28H34F2N4O5/c1-39-10-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(8-7-31-25)16-18-5-3-2-4-6-18/h2-6,11-12,15,20,23,25-26,31,36H,7-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1 WPKKFQFIRDGIQH-NLFSCDDMSA-N 50271770 CHEMBL521794::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586456 104116399 CHEMBL521794 ZINC42890046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147871 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C29H34F2N4O4/c30-22-10-20(11-23(31)14-22)12-24(33-28(38)21-13-25(36)35(17-21)16-19-6-7-19)27(37)26-29(39)34(9-8-32-26)15-18-4-2-1-3-5-18/h1-5,10-11,14,19,21,24,26-27,32,37H,6-9,12-13,15-17H2,(H,33,38)/t21?,24-,26-,27-/m0/s1 YQIIMRFZVGRICH-RUZOEWKHSA-N 50271768 CHEMBL491659::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11203516 104116397 CHEMBL491659 ZINC49878064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147872 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1 UHJGJWDAUJTJOC-WGLJOPIWSA-N 50271769 1-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide::CHEMBL442847 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586455 104116398 CHEMBL442847 ZINC44280525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147873 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 InChI=1S/C29H39F2N3O3/c1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t25-,26+,27-/m1/s1 YVAHUCDZRFTLIY-KWXIBIRDSA-N 50227347 CHEMBL270153::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-piperidin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455419 104097380 CHEMBL270153 ZINC29129051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147874 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H40F2N4O5/c1-22-13-25(18-26(14-22)34(44)41-11-6-9-29(41)21-46-2)33(43)39-30(17-24-15-27(36)19-28(37)16-24)32(42)31-35(45)40(12-10-38-31)20-23-7-4-3-5-8-23/h3-5,7-8,13-16,18-19,29-32,38,42H,6,9-12,17,20-21H2,1-2H3,(H,39,43)/t29-,30+,31+,32+/m1/s1 YTROODQMIJTPAZ-ZLESDFJESA-N 50271628 CHEMBL510659::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11192984 104116349 CHEMBL510659 ZINC14209292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147875 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1 HZWNNIVRFLRAQW-CHQNGUEUSA-N 50271627 CHEMBL507651::N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 318 3CID 11520033 104116348 CHEMBL507651 ZINC24975881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147876 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 UKXYKYZOSFWZIM-FLQGXGFZSA-N 50227345 CHEMBL255194::N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1R,2S)-1-((2R,4S)-4-benzylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 522 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 314 3CIB 24808496 104097379 CHEMBL255194 ZINC24975749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147877 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O InChI=1S/C36H44F2N4O5/c1-5-12-41(13-6-2)35(45)27-16-23(3)15-26(20-27)34(44)40-30(19-24-17-28(37)21-29(38)18-24)33(43)32-36(46)42(14-11-39-32)22-25-9-7-8-10-31(25)47-4/h7-10,15-18,20-21,30,32-33,39,43H,5-6,11-14,19,22H2,1-4H3,(H,40,44)/t30-,32-,33-/m0/s1 CKFFGTGIMRKKOF-RGRQWMLTSA-N 50271862 CHEMBL445721::N1-((1S,2S)-1-((S)-4-(2-methoxybenzyl)-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586538 104116449 CHEMBL445721 ZINC49832942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147878 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC2CC2)C1=O InChI=1S/C32H42F2N4O4/c1-4-9-37(10-5-2)31(41)24-13-20(3)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-21-6-7-21/h12-15,17-18,21,27-29,35,39H,4-11,16,19H2,1-3H3,(H,36,40)/t27-,28-,29-/m0/s1 LLQTWWDGVVLDQH-AWCRTANDSA-N 50271861 CHEMBL507571::N1-((1S,2S)-1-((S)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 915 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586537 104116448 CHEMBL507571 ZINC42834887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147879 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC(C)C)C1=O InChI=1S/C32H44F2N4O4/c1-6-9-37(10-7-2)31(41)24-13-21(5)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-20(3)4/h12-15,17-18,20,27-29,35,39H,6-11,16,19H2,1-5H3,(H,36,40)/t27-,28-,29-/m0/s1 MFNFQRPIVDERMP-AWCRTANDSA-N 50271860 CHEMBL507330::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-4-isobutyl-3-oxopiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586536 104116447 CHEMBL507330 ZINC42834263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147880 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CCC)C1=O InChI=1S/C31H42F2N4O4/c1-5-9-36(10-6-2)30(40)23-14-20(4)13-22(18-23)29(39)35-26(17-21-15-24(32)19-25(33)16-21)28(38)27-31(41)37(11-7-3)12-8-34-27/h13-16,18-19,26-28,34,38H,5-12,17H2,1-4H3,(H,35,39)/t26-,27-,28-/m0/s1 GKMLMHBHJMGYTA-KCHLEUMXSA-N 50271859 CHEMBL451218::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-3-oxo-4-propylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586535 104116446 CHEMBL451218 ZINC44350703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147881 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C29H36F2N4O4/c1-2-3-10-34-18-21(15-25(34)36)28(38)33-24(14-20-12-22(30)16-23(31)13-20)27(37)26-29(39)35(11-9-32-26)17-19-7-5-4-6-8-19/h4-8,12-13,16,21,24,26-27,32,37H,2-3,9-11,14-15,17-18H2,1H3,(H,33,38)/t21?,24-,26-,27-/m0/s1 TYJONTNQQYNQAI-RUZOEWKHSA-N 50271703 CHEMBL491071::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586407 104116373 CHEMBL491071 ZINC49878313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147882 CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C27H32F2N4O4/c1-2-8-32-15-19(12-23(32)34)26(36)31-22(11-18-9-20(28)13-21(29)10-18)25(35)24-27(37)33(16-30-24)14-17-6-4-3-5-7-17/h3-7,9-10,13,19,22,24-25,30,35H,2,8,11-12,14-16H2,1H3,(H,31,36)/t19?,22-,24-,25-/m0/s1 GFHPZBRPASTWHM-CDRMHGCZSA-N 50271702 CHEMBL485319::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxo-1-propylpyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 905 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586406 104116372 CHEMBL485319 ZINC40943055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147883 CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C27H32F2N4O4/c1-2-8-32-15-19(12-23(32)34)26(36)31-22(11-18-9-20(28)13-21(29)10-18)25(35)24-27(37)33(16-30-24)14-17-6-4-3-5-7-17/h3-7,9-10,13,19,22,24-25,30,35H,2,8,11-12,14-16H2,1H3,(H,31,36)/t19?,22-,24-,25-/m0/s1 GFHPZBRPASTWHM-CDRMHGCZSA-N 50271702 CHEMBL485319::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxo-1-propylpyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586406 104116372 CHEMBL485319 ZINC40943055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147884 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2C#N)CCN1 InChI=1S/C36H43F2N5O3/c1-4-11-43(12-5-2)36(46)29-15-24(3)14-28(19-29)35(45)41-32(18-25-16-30(37)20-31(38)17-25)34(44)33-23-42(13-10-40-33)22-27-9-7-6-8-26(27)21-39/h6-9,14-17,19-20,32-34,40,44H,4-5,10-13,18,22-23H2,1-3H3,(H,41,45)/t32-,33+,34-/m0/s1 POYUANYEOGKNNG-GMTSZFNJSA-N 50271863 CHEMBL455237::N1-((1S,2S)-1-((R)-4-(2-cyanobenzyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586539 104116450 CHEMBL455237 ZINC44352592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147885 CCCN1CC(N(C(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C30H39F2N5O4/c1-4-11-36-18-25(37(19(2)3)30(36)41)28(39)34-24(15-21-13-22(31)16-23(32)14-21)27(38)26-29(40)35(12-10-33-26)17-20-8-6-5-7-9-20/h5-9,13-14,16,19,24-27,33,38H,4,10-12,15,17-18H2,1-3H3,(H,34,39)/t24-,25?,26-,27-/m0/s1 IMUGWQKSXKEHDO-MBKURTIGSA-N 50271811 CHEMBL508095::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-isopropyl-2-oxo-1-propylimidazolidine-4-carboxamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586495 104116411 CHEMBL508095 ZINC42834399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147886 CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C31H40F2N4O4/c1-3-5-12-36-19-25(24(4-2)30(36)40)29(39)35-26(16-21-14-22(32)17-23(33)15-21)28(38)27-31(41)37(13-11-34-27)18-20-9-7-6-8-10-20/h6-10,14-15,17,24-28,34,38H,3-5,11-13,16,18-19H2,1-2H3,(H,35,39)/t24-,25?,26+,27+,28+/m1/s1 AOQDELDVXVGZSZ-GQTPQPSSSA-N 50271705 (4R)-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-4-ethyl-5-oxopyrrolidine-3-carboxamide::CHEMBL454795 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586409 104116375 CHEMBL454795 ZINC44358304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147887 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)c1ccccc1 InChI=1S/C34H42F2N4O3/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1 ILLPSQCCZGTEPM-QAXCHELISA-N 50271865 CHEMBL510737::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-phenylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586541 104116452 CHEMBL510737 ZINC55760871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147888 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCNC1=O InChI=1S/C28H36F2N4O4/c1-4-8-34(9-5-2)28(38)20-11-17(3)10-19(15-20)26(36)33-23(14-18-12-21(29)16-22(30)13-18)25(35)24-27(37)32-7-6-31-24/h10-13,15-16,23-25,31,35H,4-9,14H2,1-3H3,(H,32,37)(H,33,36)/t23-,24-,25-/m0/s1 GDNDXNUOEVYPDM-SDHOMARFSA-N 50271813 CHEMBL489052::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-3-oxopiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586497 104116413 CHEMBL489052 ZINC49877854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147889 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2Cl)CCN1 InChI=1S/C35H43ClF2N4O3/c1-4-11-42(12-5-2)35(45)27-15-23(3)14-26(19-27)34(44)40-31(18-24-16-28(37)20-29(38)17-24)33(43)32-22-41(13-10-39-32)21-25-8-6-7-9-30(25)36/h6-9,14-17,19-20,31-33,39,43H,4-5,10-13,18,21-22H2,1-3H3,(H,40,44)/t31-,32+,33-/m0/s1 SMSFWZXSHBFRDJ-DSPMFFIESA-N 50271864 CHEMBL476216::N1-((1S,2S)-1-((R)-4-(2-chlorobenzyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586540 104116451 CHEMBL476216 ZINC49853709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147890 CCCN1CC(CN(CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C31H41F2N5O4/c1-3-11-37-19-23(20-38(12-4-2)31(37)42)29(40)35-26(16-22-14-24(32)17-25(33)15-22)28(39)27-30(41)36(13-10-34-27)18-21-8-6-5-7-9-21/h5-9,14-15,17,23,26-28,34,39H,3-4,10-13,16,18-20H2,1-2H3,(H,35,40)/t26-,27-,28-/m0/s1 QJVIDJIKMOAXEF-KCHLEUMXSA-N 50271812 CHEMBL502121::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-2-oxo-1,3-dipropyl-hexahydropyrimidine-5-carboxamide Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586496 104116412 CHEMBL502121 ZINC42803179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147891 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2Cl)CCN1 InChI=1S/C35H43ClF2N4O3/c1-4-11-42(12-5-2)35(45)27-15-23(3)14-26(19-27)34(44)40-31(18-24-16-28(37)20-29(38)17-24)33(43)32-22-41(13-10-39-32)21-25-8-6-7-9-30(25)36/h6-9,14-17,19-20,31-33,39,43H,4-5,10-13,18,21-22H2,1-3H3,(H,40,44)/t31-,32+,33-/m0/s1 SMSFWZXSHBFRDJ-DSPMFFIESA-N 50271864 CHEMBL476216::N1-((1S,2S)-1-((R)-4-(2-chlorobenzyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 755 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586540 104116451 CHEMBL476216 ZINC49853709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147892 CCCN1CC(CN(CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C31H41F2N5O4/c1-3-11-37-19-23(20-38(12-4-2)31(37)42)29(40)35-26(16-22-14-24(32)17-25(33)15-22)28(39)27-30(41)36(13-10-34-27)18-21-8-6-5-7-9-21/h5-9,14-15,17,23,26-28,34,39H,3-4,10-13,16,18-20H2,1-2H3,(H,35,40)/t26-,27-,28-/m0/s1 QJVIDJIKMOAXEF-KCHLEUMXSA-N 50271812 CHEMBL502121::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-2-oxo-1,3-dipropyl-hexahydropyrimidine-5-carboxamide Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586496 104116412 CHEMBL502121 ZINC42803179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147893 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C29H36F2N4O4/c1-2-3-10-34-18-21(15-25(34)36)28(38)33-24(14-20-12-22(30)16-23(31)13-20)27(37)26-29(39)35(11-9-32-26)17-19-7-5-4-6-8-19/h4-8,12-13,16,21,24,26-27,32,37H,2-3,9-11,14-15,17-18H2,1H3,(H,33,38)/t21?,24-,26-,27-/m0/s1 TYJONTNQQYNQAI-RUZOEWKHSA-N 50271703 CHEMBL491071::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586407 104116373 CHEMBL491071 ZINC49878313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147894 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2C#N)CCN1 InChI=1S/C36H43F2N5O3/c1-4-11-43(12-5-2)36(46)29-15-24(3)14-28(19-29)35(45)41-32(18-25-16-30(37)20-31(38)17-25)34(44)33-23-42(13-10-40-33)22-27-9-7-6-8-26(27)21-39/h6-9,14-17,19-20,32-34,40,44H,4-5,10-13,18,22-23H2,1-3H3,(H,41,45)/t32-,33+,34-/m0/s1 POYUANYEOGKNNG-GMTSZFNJSA-N 50271863 CHEMBL455237::N1-((1S,2S)-1-((R)-4-(2-cyanobenzyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586539 104116450 CHEMBL455237 ZINC44352592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147895 CCCN1CC(N(C(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C30H39F2N5O4/c1-4-11-36-18-25(37(19(2)3)30(36)41)28(39)34-24(15-21-13-22(31)16-23(32)14-21)27(38)26-29(40)35(12-10-33-26)17-20-8-6-5-7-9-20/h5-9,13-14,16,19,24-27,33,38H,4,10-12,15,17-18H2,1-3H3,(H,34,39)/t24-,25?,26-,27-/m0/s1 IMUGWQKSXKEHDO-MBKURTIGSA-N 50271811 CHEMBL508095::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-isopropyl-2-oxo-1-propylimidazolidine-4-carboxamide Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586495 104116411 CHEMBL508095 ZINC42834399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147896 CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C31H40F2N4O4/c1-3-5-12-36-19-25(24(4-2)30(36)40)29(39)35-26(16-21-14-22(32)17-23(33)15-21)28(38)27-31(41)37(13-11-34-27)18-20-9-7-6-8-10-20/h6-10,14-15,17,24-28,34,38H,3-5,11-13,16,18-19H2,1-2H3,(H,35,39)/t24-,25?,26+,27+,28+/m1/s1 AOQDELDVXVGZSZ-GQTPQPSSSA-N 50271705 (4R)-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-4-ethyl-5-oxopyrrolidine-3-carboxamide::CHEMBL454795 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586409 104116375 CHEMBL454795 ZINC44358304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147897 CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C29H37F2N5O4/c1-3-11-35-18-24(36(4-2)29(35)40)27(38)33-23(15-20-13-21(30)16-22(31)14-20)26(37)25-28(39)34(12-10-32-25)17-19-8-6-5-7-9-19/h5-9,13-14,16,23-26,32,37H,3-4,10-12,15,17-18H2,1-2H3,(H,33,38)/t23-,24?,25-,26-/m0/s1 WAJCBEINSSNAMN-AWMNRUSDSA-N 50271810 CHEMBL491660::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-ethyl-2-oxo-1-propylimidazolidine-4-carboxamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586494 104116410 CHEMBL491660 ZINC49878085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147898 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C28H34F2N4O4/c1-2-3-9-33-16-20(13-24(33)35)27(37)32-23(12-19-10-21(29)14-22(30)11-19)26(36)25-28(38)34(17-31-25)15-18-7-5-4-6-8-18/h4-8,10-11,14,20,23,25-26,31,36H,2-3,9,12-13,15-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1 APQJBIJMGKMXAX-NLFSCDDMSA-N 50271704 CHEMBL491265::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586408 104116374 CHEMBL491265 ZINC49878471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147899 CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C29H37F2N5O4/c1-3-11-35-18-24(36(4-2)29(35)40)27(38)33-23(15-20-13-21(30)16-22(31)14-20)26(37)25-28(39)34(12-10-32-25)17-19-8-6-5-7-9-19/h5-9,13-14,16,23-26,32,37H,3-4,10-12,15,17-18H2,1-2H3,(H,33,38)/t23-,24?,25-,26-/m0/s1 WAJCBEINSSNAMN-AWMNRUSDSA-N 50271810 CHEMBL491660::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-ethyl-2-oxo-1-propylimidazolidine-4-carboxamide Beta-secretase 1 Homo sapiens 620 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586494 104116410 CHEMBL491660 ZINC49878085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147900 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C28H34F2N4O4/c1-2-3-9-33-16-20(13-24(33)35)27(37)32-23(12-19-10-21(29)14-22(30)11-19)26(36)25-28(38)34(17-31-25)15-18-7-5-4-6-8-18/h4-8,10-11,14,20,23,25-26,31,36H,2-3,9,12-13,15-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1 APQJBIJMGKMXAX-NLFSCDDMSA-N 50271704 CHEMBL491265::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 21500 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586408 104116374 CHEMBL491265 ZINC49878471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147901 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)c1ccccc1 InChI=1S/C34H42F2N4O3/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1 ILLPSQCCZGTEPM-QAXCHELISA-N 50271865 CHEMBL510737::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-phenylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 345 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586541 104116452 CHEMBL510737 ZINC55760871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147902 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCNC1=O InChI=1S/C28H36F2N4O4/c1-4-8-34(9-5-2)28(38)20-11-17(3)10-19(15-20)26(36)33-23(14-18-12-21(29)16-22(30)13-18)25(35)24-27(37)32-7-6-31-24/h10-13,15-16,23-25,31,35H,4-9,14H2,1-3H3,(H,32,37)(H,33,36)/t23-,24-,25-/m0/s1 GDNDXNUOEVYPDM-SDHOMARFSA-N 50271813 CHEMBL489052::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-3-oxopiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 264 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586497 104116413 CHEMBL489052 ZINC49877854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147903 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(C)C1=O InChI=1S/C29H38F2N4O4/c1-5-8-35(9-6-2)28(38)21-12-18(3)11-20(16-21)27(37)33-24(15-19-13-22(30)17-23(31)14-19)26(36)25-29(39)34(4)10-7-32-25/h11-14,16-17,24-26,32,36H,5-10,15H2,1-4H3,(H,33,37)/t24-,25-,26-/m0/s1 VYOHMKLTWNCCJC-GSDHBNRESA-N 50271814 CHEMBL522924::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-4-methyl-3-oxopiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 235 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586498 104116414 CHEMBL522924 ZINC42890786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147904 CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C30H38F2N4O4/c1-3-5-11-35-17-24(23(4-2)29(35)39)28(38)34-25(14-20-12-21(31)15-22(32)13-20)27(37)26-30(40)36(18-33-26)16-19-9-7-6-8-10-19/h6-10,12-13,15,23-27,33,37H,3-5,11,14,16-18H2,1-2H3,(H,34,38)/t23-,24?,25+,26+,27+/m1/s1 OWICHBITKWEVMT-UROOZZFMSA-N 50271766 (4R)-N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-4-ethyl-5-oxopyrrolidine-3-carboxamide::CHEMBL522803 Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586453 104116395 CHEMBL522803 ZINC42892063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147905 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(C)C1=O InChI=1S/C29H38F2N4O4/c1-5-8-35(9-6-2)28(38)21-12-18(3)11-20(16-21)27(37)33-24(15-19-13-22(30)17-23(31)14-19)26(36)25-29(39)34(4)10-7-32-25/h11-14,16-17,24-26,32,36H,5-10,15H2,1-4H3,(H,33,37)/t24-,25-,26-/m0/s1 VYOHMKLTWNCCJC-GSDHBNRESA-N 50271814 CHEMBL522924::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-4-methyl-3-oxopiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586498 104116414 CHEMBL522924 ZINC42890786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147906 CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C30H38F2N4O4/c1-3-5-11-35-17-24(23(4-2)29(35)39)28(38)34-25(14-20-12-21(31)15-22(32)13-20)27(37)26-30(40)36(18-33-26)16-19-9-7-6-8-10-19/h6-10,12-13,15,23-27,33,37H,3-5,11,14,16-18H2,1-2H3,(H,34,38)/t23-,24?,25+,26+,27+/m1/s1 OWICHBITKWEVMT-UROOZZFMSA-N 50271766 (4R)-N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-4-ethyl-5-oxopyrrolidine-3-carboxamide::CHEMBL522803 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586453 104116395 CHEMBL522803 ZINC42892063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147907 COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H40F2N4O6/c1-46-21-28-9-6-11-41(28)34(44)25-16-24(17-29(18-25)47-2)33(43)39-30(15-23-13-26(36)19-27(37)14-23)32(42)31-35(45)40(12-10-38-31)20-22-7-4-3-5-8-22/h3-5,7-8,13-14,16-19,28,30-32,38,42H,6,9-12,15,20-21H2,1-2H3,(H,39,43)/t28-,30+,31+,32+/m1/s1 JDWZGDGLKJPHMC-DNUNIWOASA-N 50271630 CHEMBL453413::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-methoxy-5-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamide Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586337 104116351 CHEMBL453413 ZINC49844725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147908 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C29H34F2N4O4/c30-22-10-20(11-23(31)14-22)12-24(33-28(38)21-13-25(36)35(17-21)16-19-6-7-19)27(37)26-29(39)34(9-8-32-26)15-18-4-2-1-3-5-18/h1-5,10-11,14,19,21,24,26-27,32,37H,6-9,12-13,15-17H2,(H,33,38)/t21?,24-,26-,27-/m0/s1 YQIIMRFZVGRICH-RUZOEWKHSA-N 50271768 CHEMBL491659::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 530 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11203516 104116397 CHEMBL491659 ZINC49878064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147909 COC[C@H]1CCCN1C(=O)c1cncc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C33H37F2N5O5/c1-45-20-27-8-5-10-40(27)32(43)24-15-23(17-36-18-24)31(42)38-28(14-22-12-25(34)16-26(35)13-22)30(41)29-33(44)39(11-9-37-29)19-21-6-3-2-4-7-21/h2-4,6-7,12-13,15-18,27-30,37,41H,5,8-11,14,19-20H2,1H3,(H,38,42)/t27-,28+,29+,30+/m1/s1 UQRTVLFQCWOQFH-RYTSNQFKSA-N 50271631 CHEMBL511110::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)nicotinamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11643019 104116352 CHEMBL511110 ZINC42851749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147910 CCCCN1CC([C@@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C36H42F2N4O4/c1-2-3-15-41-23-30(29(35(41)45)19-24-10-6-4-7-11-24)34(44)40-31(20-26-17-27(37)21-28(38)18-26)33(43)32-36(46)42(16-14-39-32)22-25-12-8-5-9-13-25/h4-13,17-18,21,29-33,39,43H,2-3,14-16,19-20,22-23H2,1H3,(H,40,44)/t29-,30?,31+,32+,33+/m1/s1 GSCMPCDIQRJBIW-ARNVELDISA-N 50271767 (4R)-4-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide::CHEMBL445693 Beta-secretase 1 Homo sapiens 960 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586454 104116396 CHEMBL445693 ZINC44305522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147911 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H40F2N4O5/c1-22-13-25(18-26(14-22)34(44)41-11-6-9-29(41)21-46-2)33(43)39-30(17-24-15-27(36)19-28(37)16-24)32(42)31-35(45)40(12-10-38-31)20-23-7-4-3-5-8-23/h3-5,7-8,13-16,18-19,29-32,38,42H,6,9-12,17,20-21H2,1-2H3,(H,39,43)/t29-,30+,31+,32+/m1/s1 YTROODQMIJTPAZ-ZLESDFJESA-N 50271628 CHEMBL510659::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11192984 104116349 CHEMBL510659 ZINC14209292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147912 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C34H38F2N4O5/c1-21-11-24(16-25(12-21)33(43)40-10-6-9-28(40)19-45-2)32(42)38-29(15-23-13-26(35)17-27(36)14-23)31(41)30-34(44)39(20-37-30)18-22-7-4-3-5-8-22/h3-5,7-8,11-14,16-17,28-31,37,41H,6,9-10,15,18-20H2,1-2H3,(H,38,42)/t28-,29+,30+,31+/m1/s1 AZIDRLBRXVEARS-BHSUFKTOSA-N 50271629 CHEMBL451950::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586336 104116350 CHEMBL451950 ZINC44352085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147913 CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C28H34F2N4O4/c1-2-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(10-8-31-25)16-18-6-4-3-5-7-18/h3-7,11-12,15,20,23,25-26,31,36H,2,8-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1 JCCWMUSWEZOVDK-NLFSCDDMSA-N 50271632 CHEMBL490463::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxo-1-propylpyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586338 104116353 CHEMBL490463 ZINC49878178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147914 COCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C28H34F2N4O5/c1-39-10-9-33-17-20(14-24(33)35)27(37)32-23(13-19-11-21(29)15-22(30)12-19)26(36)25-28(38)34(8-7-31-25)16-18-5-3-2-4-6-18/h2-6,11-12,15,20,23,25-26,31,36H,7-10,13-14,16-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1 WPKKFQFIRDGIQH-NLFSCDDMSA-N 50271770 CHEMBL521794::N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586456 104116399 CHEMBL521794 ZINC42890046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147915 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 InChI=1S/C29H39F2N3O3/c1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t25-,26+,27-/m1/s1 YVAHUCDZRFTLIY-KWXIBIRDSA-N 50227347 CHEMBL270153::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-piperidin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455419 104097380 CHEMBL270153 ZINC29129051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147916 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C32H34F2N4O4/c33-25-13-23(14-26(34)17-25)15-27(30(40)29-32(42)37(12-11-35-29)18-21-7-3-1-4-8-21)36-31(41)24-16-28(39)38(20-24)19-22-9-5-2-6-10-22/h1-10,13-14,17,24,27,29-30,35,40H,11-12,15-16,18-20H2,(H,36,41)/t24?,27-,29-,30-/m0/s1 UHJGJWDAUJTJOC-WGLJOPIWSA-N 50271769 1-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide::CHEMBL442847 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586455 104116398 CHEMBL442847 ZINC44280525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147917 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1 HZWNNIVRFLRAQW-CHQNGUEUSA-N 50271627 CHEMBL507651::N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 318 3CID 11520033 104116348 CHEMBL507651 ZINC24975881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147918 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 UKXYKYZOSFWZIM-FLQGXGFZSA-N 50227345 CHEMBL255194::N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1R,2S)-1-((2R,4S)-4-benzylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 314 3CIB 24808496 104097379 CHEMBL255194 ZINC24975749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147919 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC(C)C)C1=O InChI=1S/C32H44F2N4O4/c1-6-9-37(10-7-2)31(41)24-13-21(5)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-20(3)4/h12-15,17-18,20,27-29,35,39H,6-11,16,19H2,1-5H3,(H,36,40)/t27-,28-,29-/m0/s1 MFNFQRPIVDERMP-AWCRTANDSA-N 50271860 CHEMBL507330::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-4-isobutyl-3-oxopiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586536 104116447 CHEMBL507330 ZINC42834263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147920 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC2CC2)C1=O InChI=1S/C32H42F2N4O4/c1-4-9-37(10-5-2)31(41)24-13-20(3)12-23(17-24)30(40)36-27(16-22-14-25(33)18-26(34)15-22)29(39)28-32(42)38(11-8-35-28)19-21-6-7-21/h12-15,17-18,21,27-29,35,39H,4-11,16,19H2,1-3H3,(H,36,40)/t27-,28-,29-/m0/s1 LLQTWWDGVVLDQH-AWCRTANDSA-N 50271861 CHEMBL507571::N1-((1S,2S)-1-((S)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586537 104116448 CHEMBL507571 ZINC42834887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147921 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC)C1=O InChI=1S/C30H40F2N4O4/c1-5-9-36(10-6-2)29(39)22-13-19(4)12-21(17-22)28(38)34-25(16-20-14-23(31)18-24(32)15-20)27(37)26-30(40)35(7-3)11-8-33-26/h12-15,17-18,25-27,33,37H,5-11,16H2,1-4H3,(H,34,38)/t25-,26-,27-/m0/s1 SYXSAKIVLUTMPU-QKDODKLFSA-N 50271858 CHEMBL521912::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((S)-4-ethyl-3-oxopiperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 175 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586534 104116445 CHEMBL521912 ZINC42891683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147922 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CCC)C1=O InChI=1S/C31H42F2N4O4/c1-5-9-36(10-6-2)30(40)23-14-20(4)13-22(18-23)29(39)35-26(17-21-15-24(32)19-25(33)16-21)28(38)27-31(41)37(11-7-3)12-8-34-27/h13-16,18-19,26-28,34,38H,5-12,17H2,1-4H3,(H,35,39)/t26-,27-,28-/m0/s1 GKMLMHBHJMGYTA-KCHLEUMXSA-N 50271859 CHEMBL451218::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((S)-3-oxo-4-propylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586535 104116446 CHEMBL451218 ZINC44350703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147923 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O InChI=1S/C36H44F2N4O5/c1-5-12-41(13-6-2)35(45)27-16-23(3)15-26(20-27)34(44)40-30(19-24-17-28(37)21-29(38)18-24)33(43)32-36(46)42(14-11-39-32)22-25-9-7-8-10-31(25)47-4/h7-10,15-18,20-21,30,32-33,39,43H,5-6,11-14,19,22H2,1-4H3,(H,40,44)/t30-,32-,33-/m0/s1 CKFFGTGIMRKKOF-RGRQWMLTSA-N 50271862 CHEMBL445721::N1-((1S,2S)-1-((S)-4-(2-methoxybenzyl)-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2008.04.050 10.7270/Q2PZ58MR 18468890 Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44586538 104116449 CHEMBL445721 ZINC49832942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144553 CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1 InChI=1S/C26H30ClN3O3S/c1-3-13-33-18-9-10-19(17(2)14-18)25-21(15-24(32)30-26(28)29-11-6-12-31)22(16-34-25)20-7-4-5-8-23(20)27/h4-5,7-10,14,16,31H,3,6,11-13,15H2,1-2H3,(H3,28,29,30,32) WILLYSZDHYQIAN-UHFFFAOYSA-N 50220311 CHEMBL391108::N-(amino(3-hydroxypropylamino)methylene)-2-(4-(2-chlorophenyl)-2-(2-methyl-4-propoxyphenyl)thiophen-3-yl)acetamide Beta-secretase 1 Homo sapiens 1550 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44434774 104093352 CHEMBL391108 ZINC28826087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144555 CCCOc1ccc(cc1C)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl InChI=1S/C26H30ClN3O3S/c1-3-13-33-23-10-9-18(14-17(23)2)25-20(15-24(32)30-26(28)29-11-6-12-31)21(16-34-25)19-7-4-5-8-22(19)27/h4-5,7-10,14,16,31H,3,6,11-13,15H2,1-2H3,(H3,28,29,30,32) YECNYEDWHUCAOP-UHFFFAOYSA-N 50220308 CHEMBL237282::N-(amino(3-hydroxypropylamino)methylene)-2-(4-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)thiophen-3-yl)acetamide Beta-secretase 1 Homo sapiens 1540 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44434773 104093349 CHEMBL237282 ZINC28826086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144556 CCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl InChI=1S/C26H29ClN4O3S/c1-2-12-29-25(34)18-10-8-17(9-11-18)24-20(15-23(33)31-26(28)30-13-5-14-32)21(16-35-24)19-6-3-4-7-22(19)27/h3-4,6-11,16,32H,2,5,12-15H2,1H3,(H,29,34)(H3,28,30,31,33) CTBLVOKHJDAVPE-UHFFFAOYSA-N 50220313 4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-propylbenzamide::CHEMBL237284 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11997981 104093354 CHEMBL237284 ZINC28826089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144558 NC(=N)NC(=O)Cc1c(csc1-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3OS/c20-19(21)22-17(23)11-15-16(13-7-3-1-4-8-13)12-24-18(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H4,20,21,22,23) PPKBHBJOIMCNRC-UHFFFAOYSA-N 50220317 CHEMBL236850::N-(diaminomethylene)-2-(2,4-diphenylthiophen-3-yl)acetamide Beta-secretase 1 Homo sapiens 8300 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11995764 104093358 CHEMBL236850 ZINC28826078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144559 OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC(F)(F)F)-c1ccccc1Cl InChI=1S/C25H24ClF3N4O3S/c26-20-5-2-1-4-17(20)19-13-37-22(18(19)12-21(35)33-24(30)31-10-3-11-34)15-6-8-16(9-7-15)23(36)32-14-25(27,28)29/h1-2,4-9,13,34H,3,10-12,14H2,(H,32,36)(H3,30,31,33,35) LECONICYHSMOHE-UHFFFAOYSA-N 50220306 -4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-(2,2,2-trifluoroethyl)benzamide::CHEMBL237283 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11997831 104093347 CHEMBL237283 ZINC28826088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144560 CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl InChI=1S/C25H28ClN3O3S/c1-2-14-32-18-10-8-17(9-11-18)24-20(15-23(31)29-25(27)28-12-5-13-30)21(16-33-24)19-6-3-4-7-22(19)26/h3-4,6-11,16,30H,2,5,12-15H2,1H3,(H3,27,28,29,31) KXZRBJMRWLYCAW-UHFFFAOYSA-N 50220314 CHEMBL237063::N-(amino(3-hydroxypropylamino)methylene)-2-(4-(2-chlorophenyl)-2-(4-propoxyphenyl)thiophen-3-yl)acetamide Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11663095 104093355 CHEMBL237063 ZINC28826085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144562 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1 InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24) WVLDNAVUCUAGDP-UHFFFAOYSA-N 16751 (N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide)::Acylguanidine, 7a::CHEMBL217068::N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 251 2QU2 11290116 46516971 CHEMBL217068 DB06930 ZINC14962105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144563 CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1Cl InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27) VZSMTBLDWPKVRW-UHFFFAOYSA-N 50220319 2-(2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-3-yl)-N-(diaminomethylene)acetamide::CHEMBL391087::N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 462 2QU3 11995761 104093360 CHEMBL391087 DB07089 ZINC28826084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144565 CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1Cl InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)21-17(12-20(27)26-22(24)25)18(13-29-21)16-5-3-4-6-19(16)23/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27) QXEMILKTZMOLHE-UHFFFAOYSA-N 50220312 2-(4-(2-chlorophenyl)-2-(4-propoxyphenyl)thiophen-3-yl)-N-(diaminomethylene)acetamide::CHEMBL237062 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11995892 104093353 CHEMBL237062 ZINC28826083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144566 CCCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl InChI=1S/C27H31ClN4O3S/c1-2-3-13-30-26(35)19-11-9-18(10-12-19)25-21(16-24(34)32-27(29)31-14-6-15-33)22(17-36-25)20-7-4-5-8-23(20)28/h4-5,7-12,17,33H,2-3,6,13-16H2,1H3,(H,30,35)(H3,29,31,32,34) ZSTMDQGFQQOQDH-UHFFFAOYSA-N 50220309 4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-butylbenzamide::CHEMBL391109 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44434776 104093350 CHEMBL391109 ZINC28826091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144568 NC(=N)NC(=O)Cc1c(csc1-c1ccc(OCCc2cn[nH]c2)cc1)-c1ccccc1Cl InChI=1S/C24H22ClN5O2S/c25-21-4-2-1-3-18(21)20-14-33-23(19(20)11-22(31)30-24(26)27)16-5-7-17(8-6-16)32-10-9-15-12-28-29-13-15/h1-8,12-14H,9-11H2,(H,28,29)(H4,26,27,30,31) SOIUCDXCUVCLGQ-UHFFFAOYSA-N 50220316 2-(2-(4-(2-(1H-pyrazol-4-yl)ethoxy)phenyl)-4-(2-chlorophenyl)thiophen-3-yl)-N-(diaminomethylene)acetamide::CHEMBL393559 Beta-secretase 1 Homo sapiens 6900 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11997832 104093357 CHEMBL393559 ZINC28826080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144569 OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ccccc1Cl InChI=1S/C27H29ClN4O3S/c28-23-5-2-1-4-20(23)22-16-36-25(21(22)14-24(34)32-27(29)30-12-3-13-33)18-8-10-19(11-9-18)26(35)31-15-17-6-7-17/h1-2,4-5,8-11,16-17,33H,3,6-7,12-15H2,(H,31,35)(H3,29,30,32,34) SHFCEQRTSOSHGI-UHFFFAOYSA-N 50220305 4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-(cyclopropylmethyl)benzamide::CHEMBL237493 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44434775 104093346 CHEMBL237493 ZINC28826090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144571 CC(=O)c1ccc(Oc2ccc(cc2)-c2scc(c2CC(=O)NC(N)=N)-c2ccccc2Cl)cc1 InChI=1S/C27H22ClN3O3S/c1-16(32)17-6-10-19(11-7-17)34-20-12-8-18(9-13-20)26-22(14-25(33)31-27(29)30)23(15-35-26)21-4-2-3-5-24(21)28/h2-13,15H,14H2,1H3,(H4,29,30,31,33) MOWOCBABTRBSFW-UHFFFAOYSA-N 50220318 2-(2-(4-(4-acetylphenoxy)phenyl)-4-(2-chlorophenyl)thiophen-3-yl)-N-(diaminomethylene)acetamide::CHEMBL236851 Beta-secretase 1 Homo sapiens 750 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11997983 104093359 CHEMBL236851 ZINC28826079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144572 CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1 InChI=1S/C22H23N3O2S/c1-2-12-27-17-10-8-15(9-11-17)19-14-28-21(16-6-4-3-5-7-16)18(19)13-20(26)25-22(23)24/h3-11,14H,2,12-13H2,1H3,(H4,23,24,25,26) VEPRQHCGLVQXNQ-UHFFFAOYSA-N 50220307 CHEMBL237061::N-(diaminomethylene)-2-(2-phenyl-4-(4-propoxyphenyl)thiophen-3-yl)acetamide Beta-secretase 1 Homo sapiens 1890 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11995758 104093348 CHEMBL237061 ZINC28826082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144573 CCC(CC)NC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl InChI=1S/C28H33ClN4O3S/c1-3-20(4-2)32-27(36)19-12-10-18(11-13-19)26-22(16-25(35)33-28(30)31-14-7-15-34)23(17-37-26)21-8-5-6-9-24(21)29/h5-6,8-13,17,20,34H,3-4,7,14-16H2,1-2H3,(H,32,36)(H3,30,31,33,35) DORPJRIPXVEUMX-UHFFFAOYSA-N 50220310 4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-(pentan-3-yl)benzamide::CHEMBL237494 Beta-secretase 1 Homo sapiens 930 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11997830 104093351 CHEMBL237494 ZINC28826092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144574 CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1 InChI=1S/C22H23N3O2S/c1-2-12-27-17-10-8-16(9-11-17)21-18(13-20(26)25-22(23)24)19(14-28-21)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H4,23,24,25,26) RGQVUAAPNNDCJY-UHFFFAOYSA-N 50220315 CHEMBL236852::N-(diaminomethylene)-2-(4-phenyl-2-(4-propoxyphenyl)thiophen-3-yl)acetamide Beta-secretase 1 Homo sapiens 680 ChEMBL 10.1016/j.bmcl.2007.08.010 10.7270/Q2WQ03GF 17761418 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11995759 104093356 CHEMBL236852 ZINC28826081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145642 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22) VPYGLYRRXAUOPL-UHFFFAOYSA-N 50226453 2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL235754 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11652923 104097109 CHEMBL235754 ZINC28826892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145670 Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1 InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19) VRAZIAJSKFRSIP-UHFFFAOYSA-N 50226445 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one::CHEMBL236777 Beta-secretase 1 Homo sapiens 86000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C8C 2VA5 11651760 104097101 CHEMBL236777 DB07535 ZINC28826876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145671 CC1(CC(=O)NC(N)=N1)c1ccccc1 InChI=1S/C11H13N3O/c1-11(8-5-3-2-4-6-8)7-9(15)13-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14,15) CJGRNSIXWOGIIC-UHFFFAOYSA-N 50226452 2-amino-6-methyl-6-phenyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL238087 Beta-secretase 1 Homo sapiens 140000 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23730921 104097108 CHEMBL238087 ZINC28826894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145672 COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23) VDFBMQAUECXNKR-UHFFFAOYSA-N 50226454 2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL393911 Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C27 2VA7 11537623 104097110 CHEMBL393911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50145673 COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23) VDFBMQAUECXNKR-UHFFFAOYSA-N 50226454 2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL393911 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1021/jm070829p 10.7270/Q2B27V0D 17985862 Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G AstraZeneca Pharmaceuticals LP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C27 2VA7 11537623 104097110 CHEMBL393911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146759 COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N InChI=1S/C27H25N5O3/c1-35-22-9-5-8-20(16-22)26(34)30-21-12-10-19(11-13-21)24-15-14-23(18-6-3-2-4-7-18)32(24)17-25(33)31-27(28)29/h2-16H,17H2,1H3,(H,30,34)(H4,28,29,31,33) MDOSRCPRSHWNNO-UHFFFAOYSA-N 50231479 CHEMBL252190::N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-3-methoxy-benzamide Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11605160 104055178 CHEMBL252190 ZINC29040180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146760 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCC=C)cc1)-c1ccccc1 InChI=1S/C22H22N4O2/c1-2-14-28-18-10-8-17(9-11-18)20-13-12-19(16-6-4-3-5-7-16)26(20)15-21(27)25-22(23)24/h2-13H,1,14-15H2,(H4,23,24,25,27) FJXMECHSMZCEED-UHFFFAOYSA-N 50231486 CHEMBL401171::N-{2-[2-(4-allyloxy-phenyl)-5-phenyl-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11675187 104055185 CHEMBL401171 ZINC29040207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146761 CCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N InChI=1S/C21H22N4O2/c1-2-27-17-10-8-16(9-11-17)19-13-12-18(15-6-4-3-5-7-15)25(19)14-20(26)24-21(22)23/h3-13H,2,14H2,1H3,(H4,22,23,24,26) GEORIOZJENXUBF-UHFFFAOYSA-N 50231488 CHEMBL253214::N-{2-[2-(4-ethoxy-phenyl)-5-phenyl-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11646236 104055187 CHEMBL253214 ZINC29040206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146762 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccccc1 InChI=1S/C19H17ClN4O/c20-15-9-5-4-8-14(15)17-11-10-16(13-6-2-1-3-7-13)24(17)12-18(25)23-19(21)22/h1-11H,12H2,(H4,21,22,23,25) KBVLEFMPBGNUPK-UHFFFAOYSA-N 50231477 CHEMBL404860::N-{2-[2-(2-chloro-phenyl)-5-phenyl-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447213 104055176 CHEMBL404860 ZINC29039290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146763 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCc2ccc(cc2)C#N)cc1)-c1ccccc1 InChI=1S/C27H23N5O2/c28-16-19-6-8-20(9-7-19)18-34-23-12-10-22(11-13-23)25-15-14-24(21-4-2-1-3-5-21)32(25)17-26(33)31-27(29)30/h1-15H,17-18H2,(H4,29,30,31,33) ADLPXDDRQKBSPD-UHFFFAOYSA-N 50231499 CHEMBL253421::N-(2-{2-[4-(4-cyano-benzyloxy)-phenyl]-5-phenyl-pyrrol-1-yl}-acetyl)-guanidine Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11705058 104055198 CHEMBL253421 ZINC29040215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146764 CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N InChI=1S/C23H26N4O2/c1-2-3-15-29-19-11-9-18(10-12-19)21-14-13-20(17-7-5-4-6-8-17)27(21)16-22(28)26-23(24)25/h4-14H,2-3,15-16H2,1H3,(H4,24,25,26,28) QBAHHCMTVBPZBT-UHFFFAOYSA-N 50231485 CHEMBL253420::N-{2-[2-(4-butoxy-phenyl)-5-phenyl-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11516654 104055184 CHEMBL253420 ZINC29040213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146765 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCCCC#N)cc1)-c1ccccc1 InChI=1S/C23H23N5O2/c24-14-4-5-15-30-19-10-8-18(9-11-19)21-13-12-20(17-6-2-1-3-7-17)28(21)16-22(29)27-23(25)26/h1-3,6-13H,4-5,15-16H2,(H4,25,26,27,29) LAFCUBAFDJYFOY-UHFFFAOYSA-N 50231487 CHEMBL401172::N-(2-{2-[4-(3-cyano-propoxy)-phenyl]-5-phenyl-pyrrol-1-yl}-acetyl)-guanidine Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11689885 104055186 CHEMBL401172 ZINC29040211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146766 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1)-c1ccccc1 InChI=1S/C26H22BrN5O2/c27-20-10-6-19(7-11-20)25(34)30-21-12-8-18(9-13-21)23-15-14-22(17-4-2-1-3-5-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33) KOWPCEPSFLEGHR-UHFFFAOYSA-N 50231491 4-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide::CHEMBL252191 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11656491 104055190 CHEMBL252191 ZINC29040182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146767 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(F)c3)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H23FN4O3/c1-17(33)18-5-9-22(10-6-18)35-23-11-7-19(8-12-23)24-13-14-25(20-3-2-4-21(28)15-20)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) FTVUQYFEDAMKHD-UHFFFAOYSA-N 50231478 CHEMBL253241::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(3-fluoro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11698483 104055177 CHEMBL253241 ZINC29039717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146768 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1 InChI=1S/C25H21FN4O2/c26-19-10-6-17(7-11-19)22-14-15-23(30(22)16-24(31)29-25(27)28)18-8-12-21(13-9-18)32-20-4-2-1-3-5-20/h1-15H,16H2,(H4,27,28,29,31) HMLZJVXASTZJHZ-UHFFFAOYSA-N 50231504 CHEMBL252025::N-{2-[2-(4-fluoro-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11495643 104055203 CHEMBL252025 ZINC29039954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146769 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(F)cc1 InChI=1S/C19H16ClFN4O/c20-15-4-2-1-3-14(15)17-10-9-16(12-5-7-13(21)8-6-12)25(17)11-18(26)24-19(22)23/h1-10H,11H2,(H4,22,23,24,26) SXYWFLPCDRJZJC-UHFFFAOYSA-N 50231474 CHEMBL252626::N-{2-[2-(2-chloro-phenyl)-5-(4-fluoro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447372 104055173 CHEMBL252626 ZINC29039846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146770 Cc1cccc(c1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N InChI=1S/C20H20N4O/c1-14-6-5-9-16(12-14)18-11-10-17(15-7-3-2-4-8-15)24(18)13-19(25)23-20(21)22/h2-12H,13H2,1H3,(H4,21,22,23,25) DWHFHJVLUCKZFN-UHFFFAOYSA-N 50231476 CHEMBL399423::N-[2-(2-Phenyl-5-m-tolyl-pyrrol-1-yl)-acetyl]-guanidine Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447217 104055175 CHEMBL399423 ZINC29039300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146771 NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccc(F)cc1 InChI=1S/C19H15Cl2FN4O/c20-12-3-6-15(21)14(9-12)17-8-7-16(11-1-4-13(22)5-2-11)26(17)10-18(27)25-19(23)24/h1-9H,10H2,(H4,23,24,25,27) NRNSXRLCGVWJTP-UHFFFAOYSA-N 50231501 CHEMBL251828::N-{2-[2-(2,5-dichloro-phenyl)-5-(4-fluoro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447389 104055200 CHEMBL251828 ZINC29039948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146772 NC(=N)NC(=O)Cn1c(ccc1-c1cccc(F)c1)-c1ccc(Oc2ccccc2)cc1 InChI=1S/C25H21FN4O2/c26-19-6-4-5-18(15-19)23-14-13-22(30(23)16-24(31)29-25(27)28)17-9-11-21(12-10-17)32-20-7-2-1-3-8-20/h1-15H,16H2,(H4,27,28,29,31) AZBVANULJWKERS-UHFFFAOYSA-N 50231473 CHEMBL253031::N-{2-[2-(3-fluoro-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11626083 104055172 CHEMBL253031 ZINC29039709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146773 COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N InChI=1S/C28H26N4O4/c1-18(33)19-6-10-22(11-7-19)36-23-12-8-20(9-13-23)25-14-15-26(21-4-3-5-24(16-21)35-2)32(25)17-27(34)31-28(29)30/h3-16H,17H2,1-2H3,(H4,29,30,31,34) TVSYGONVTNSMAU-UHFFFAOYSA-N 50231498 CHEMBL254092::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(3-methoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11655970 104055197 CHEMBL254092 ZINC29039752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146774 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(c3)C#N)n2CC(=O)NC(N)=N)cc1 InChI=1S/C28H23N5O3/c1-18(34)20-5-9-23(10-6-20)36-24-11-7-21(8-12-24)25-13-14-26(22-4-2-3-19(15-22)16-29)33(25)17-27(35)32-28(30)31/h2-15H,17H2,1H3,(H4,30,31,32,35) QKLGPGHKVMBFQS-UHFFFAOYSA-N 50231496 CHEMBL400087::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(3-cyano-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447358 104055195 CHEMBL400087 ZINC29039796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146775 COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N InChI=1S/C26H24N4O3/c1-32-22-9-5-6-19(16-22)24-15-14-23(30(24)17-25(31)29-26(27)28)18-10-12-21(13-11-18)33-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H4,27,28,29,31) LWXGOXALZZNYFT-UHFFFAOYSA-N 50231497 CHEMBL254091::N-{2-[2-(3-methoxy-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11575810 104055196 CHEMBL254091 ZINC29039750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146776 NC(=N)NC(=O)Cn1c(ccc1-c1cccc(c1)C#N)-c1ccc(Oc2ccccc2)cc1 InChI=1S/C26H21N5O2/c27-16-18-5-4-6-20(15-18)24-14-13-23(31(24)17-25(32)30-26(28)29)19-9-11-22(12-10-19)33-21-7-2-1-3-8-21/h1-15H,17H2,(H4,28,29,30,32) RYJUPQSLGSFOHE-UHFFFAOYSA-N 50231489 CHEMBL398316::N-{2-[2-(3-cyano-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447357 104055188 CHEMBL398316 ZINC29039794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147856 Nc1nccc2ccccc12 InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) OSILBMSORKFRTB-UHFFFAOYSA-N 14320 1-amino-isoquinoline::CHEMBL62083::Fragment 17::fragment 1 (J. med. chem.,50,1116)::isoquinolin-1-amine Beta-secretase 1 Homo sapiens 2000000 ChEMBL 10.1021/jm8000373 10.7270/Q2N58M4H 18457385 Congreve, M; Chessari, G; Tisi, D; Woodhead, AJ Astex Therapeutics Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1SQ 4YUY,2OHK,7AXW,5RU8,3KPW,5RVP,5AQS 73742 46514662 CHEMBL62083 ZINC00154817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146777 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1csc2ccccc12 InChI=1S/C27H22N4O2S/c28-27(29)30-26(32)16-31-23(14-15-24(31)22-17-34-25-9-5-4-8-21(22)25)18-10-12-20(13-11-18)33-19-6-2-1-3-7-19/h1-15,17H,16H2,(H4,28,29,30,32) PLFXILQDWFKCHD-UHFFFAOYSA-N 50231475 CHEMBL254891::N-{2-[2-benzo[b]thiophen-3-yl-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447454 104055174 CHEMBL254891 ZINC29040164 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146778 NC(=N)NC(=O)Cn1c(ccc1-c1cccc(Cl)c1)-c1ccc(Oc2ccccc2)cc1 InChI=1S/C25H21ClN4O2/c26-19-6-4-5-18(15-19)23-14-13-22(30(23)16-24(31)29-25(27)28)17-9-11-21(12-10-17)32-20-7-2-1-3-8-20/h1-15H,16H2,(H4,27,28,29,31) DQMKCDOKYDOKPO-UHFFFAOYSA-N 50231493 CHEMBL253449::N-{2-[2-(3-chloro-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11539555 104055192 CHEMBL253449 ZINC29039727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146779 COc1ccccc1-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N InChI=1S/C28H26N4O4/c1-18(33)19-7-11-21(12-8-19)36-22-13-9-20(10-14-22)24-15-16-25(23-5-3-4-6-26(23)35-2)32(24)17-27(34)31-28(29)30/h3-16H,17H2,1-2H3,(H4,29,30,31,34) RIZAWQSLXMCRIW-UHFFFAOYSA-N 50231482 CHEMBL252219::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(2-methoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11562095 104055181 CHEMBL252219 ZINC29039678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146780 COc1ccccc1-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N InChI=1S/C26H24N4O3/c1-32-24-10-6-5-9-21(24)23-16-15-22(30(23)17-25(31)29-26(27)28)18-11-13-20(14-12-18)33-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H4,27,28,29,31) ZDNVQEQIIODDSY-UHFFFAOYSA-N 50231494 CHEMBL252218::N-{2-[2-(2-methoxy-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11517807 104055193 CHEMBL252218 ZINC29039676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146781 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1)-c1ccccc1 InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33) XWWAMKGNSKOVNS-UHFFFAOYSA-N 50231481 3-bromo-N-(4-(1-(2-guanidino-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl)phenyl)benzamide::3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide::3-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide::CHEMBL252189 Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 411 2ZE1 11606008 104055180 CHEMBL252189 ZINC29040179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146782 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) MIEKBLPHNQZVQQ-UHFFFAOYSA-N 16753 2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl]-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7c::CHEMBL253237::N-{2-[2-[4-(4-Acetyl-phenoxy)-phenyl]-5-(2-chloro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 310 2ZDZ 11583947 46516973 CHEMBL253237 ZINC14962112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146783 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(cc1)C(F)(F)F)-c1ccc(Oc2ccccc2)cc1 InChI=1S/C26H21F3N4O2/c27-26(28,29)19-10-6-17(7-11-19)22-14-15-23(33(22)16-24(34)32-25(30)31)18-8-12-21(13-9-18)35-20-4-2-1-3-5-20/h1-15H,16H2,(H4,30,31,32,34) ZTUWEYDYTQCVKD-UHFFFAOYSA-N 50231495 CHEMBL399083::N-{2-[2-(4-phenoxy-phenyl)-5-(4-trifluoromethyl-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447421 104055194 CHEMBL399083 ZINC29040041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146784 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)-c1ccccc1 InChI=1S/C26H21Cl2N5O2/c27-18-8-11-20(21(28)14-18)25(35)31-19-9-6-17(7-10-19)23-13-12-22(16-4-2-1-3-5-16)33(23)15-24(34)32-26(29)30/h1-14H,15H2,(H,31,35)(H4,29,30,32,34) DPKFBIMPAQFLPJ-UHFFFAOYSA-N 50231503 2,4-dichloro-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide::CHEMBL251993 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11598623 104055202 CHEMBL251993 ZINC29040177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146785 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) MIEKBLPHNQZVQQ-UHFFFAOYSA-N 16753 2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl]-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7c::CHEMBL253237::N-{2-[2-[4-(4-Acetyl-phenoxy)-phenyl]-5-(2-chloro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 310 2ZDZ 11583947 46516973 CHEMBL253237 ZINC14962112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146786 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(Oc2ccccc2)cc1 InChI=1S/C25H21ClN4O2/c26-21-9-5-4-8-20(21)23-15-14-22(30(23)16-24(31)29-25(27)28)17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-15H,16H2,(H4,27,28,29,31) CGHBZUHTVSAANX-UHFFFAOYSA-N 50231502 CHEMBL398315::N-{2-[2-(2-chloro-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11647968 104055201 CHEMBL398315 ZINC29039653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146787 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H24N4O3/c1-18(32)19-7-11-22(12-8-19)34-23-13-9-21(10-14-23)25-16-15-24(20-5-3-2-4-6-20)31(25)17-26(33)30-27(28)29/h2-16H,17H2,1H3,(H4,28,29,30,33) IMZKKDZIBMFNTR-UHFFFAOYSA-N 50231483 CHEMBL401289::N-(2-{2-[4-(4-acetyl-phenoxy)-phenyl]-5-phenyl-pyrrol-1-yl}-acetyl)-guanidine Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11496159 104055182 CHEMBL401289 ZINC29039624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146788 COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N InChI=1S/C28H26N4O4/c1-18(33)19-3-11-23(12-4-19)36-24-13-7-21(8-14-24)26-16-15-25(20-5-9-22(35-2)10-6-20)32(26)17-27(34)31-28(29)30/h3-16H,17H2,1-2H3,(H4,29,30,31,34) MHSOHJXWBXGXIF-UHFFFAOYSA-N 50231492 CHEMBL254058::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(4-methoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447407 104055191 CHEMBL254058 ZINC29040006 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146789 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccccc1 InChI=1S/C25H22N4O2/c26-25(27)28-24(30)17-29-22(18-7-3-1-4-8-18)15-16-23(29)19-11-13-21(14-12-19)31-20-9-5-2-6-10-20/h1-16H,17H2,(H4,26,27,28,30) DKLJSYJKDHHKFC-UHFFFAOYSA-N 50231490 CHEMBL253863::N-{2-[2-(4-phenoxy-phenyl)-5-phenyl-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11553329 104055189 CHEMBL253863 ZINC29039421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146790 COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N InChI=1S/C26H24N4O3/c1-32-20-11-7-18(8-12-20)23-15-16-24(30(23)17-25(31)29-26(27)28)19-9-13-22(14-10-19)33-21-5-3-2-4-6-21/h2-16H,17H2,1H3,(H4,27,28,29,31) RSPOXCNTFDTLQG-UHFFFAOYSA-N 50231500 CHEMBL254057::N-{2-[2-(4-methoxy-phenyl)-5-(4-phenoxy-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447406 104055199 CHEMBL254057 ZINC29040004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146791 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(cc3)C(F)(F)F)n2CC(=O)NC(N)=N)cc1 InChI=1S/C28H23F3N4O3/c1-17(36)18-4-10-22(11-5-18)38-23-12-6-20(7-13-23)25-15-14-24(35(25)16-26(37)34-27(32)33)19-2-8-21(9-3-19)28(29,30)31/h2-15H,16H2,1H3,(H4,32,33,34,37) UCWCVUHXRRHJSK-UHFFFAOYSA-N 50231470 CHEMBL252007::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(4-trifluoromethyl-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447422 104055169 CHEMBL252007 ZINC29040048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146792 NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccccc1 InChI=1S/C19H16Cl2N4O/c20-13-6-7-15(21)14(10-13)17-9-8-16(12-4-2-1-3-5-12)25(17)11-18(26)24-19(22)23/h1-10H,11H2,(H4,22,23,24,26) TXPHFUQPEUVSFT-UHFFFAOYSA-N 50231472 CHEMBL399837::N-{2-[2-(2,5-dichloro-phenyl)-5-phenyl-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44447252 104055171 CHEMBL399837 ZINC29039419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146793 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(F)cc3)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H23FN4O3/c1-17(33)18-4-10-22(11-5-18)35-23-12-6-20(7-13-23)25-15-14-24(19-2-8-21(28)9-3-19)32(25)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) FKMTUIBDSLQQEC-UHFFFAOYSA-N 50231484 CHEMBL252026::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(4-fluoro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11496483 104055183 CHEMBL252026 ZINC29039964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146794 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1 InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24) WVLDNAVUCUAGDP-UHFFFAOYSA-N 16751 (N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide)::Acylguanidine, 7a::CHEMBL217068::N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 251 2QU2 11290116 46516971 CHEMBL217068 DB06930 ZINC14962105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146795 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1)-c1ccccc1 InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33) XWWAMKGNSKOVNS-UHFFFAOYSA-N 50231481 3-bromo-N-(4-(1-(2-guanidino-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl)phenyl)benzamide::3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide::3-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide::CHEMBL252189 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2007.12.010 10.7270/Q22807CT 18162398 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 411 2ZE1 11606008 104055180 CHEMBL252189 ZINC29040179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146796 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1 QPGDTFHILHXFBQ-WUFINQPMSA-N 29756 CHEMBL403429::hydroxyethylamine derivative, 6 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG6 2VJ7 10008157 85147522 CHEMBL403429 ZINC16052618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146797 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCC1=O InChI=1S/C31H38N4O4/c1-3-33-25-17-24(18-26(19-25)35-14-8-13-30(35)37)31(38)34-28(16-22-9-5-4-6-10-22)29(36)21-32-20-23-11-7-12-27(15-23)39-2/h4-7,9-12,15,17-19,28-29,32-33,36H,3,8,13-14,16,20-21H2,1-2H3,(H,34,38)/t28-,29+/m0/s1 ANZORHSSNYTZOP-URLMMPGGSA-N 50231680 CHEMBL252656::N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10348155 104055247 CHEMBL252656 ZINC28978417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146798 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1 QPGDTFHILHXFBQ-WUFINQPMSA-N 29756 CHEMBL403429::hydroxyethylamine derivative, 6 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG6 2VJ7 10008157 85147522 CHEMBL403429 ZINC16052618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146799 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCC1=O InChI=1S/C32H48N4O3/c1-6-33-26-19-25(20-27(21-26)36-17-11-15-30(36)38)31(39)35-28(18-24-13-8-7-9-14-24)29(37)22-34-32(4,5)16-10-12-23(2)3/h7-9,13-14,19-21,23,28-29,33-34,37H,6,10-12,15-18,22H2,1-5H3,(H,35,39)/t28-,29+/m0/s1 BNTVCVCCNARYIP-URLMMPGGSA-N 50231688 CHEMBL252458::N-((2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG0 2VIE 23657802 104055255 CHEMBL252458 ZINC16052608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146800 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCC1=O InChI=1S/C32H48N4O3/c1-6-33-26-19-25(20-27(21-26)36-17-11-15-30(36)38)31(39)35-28(18-24-13-8-7-9-14-24)29(37)22-34-32(4,5)16-10-12-23(2)3/h7-9,13-14,19-21,23,28-29,33-34,37H,6,10-12,15-18,22H2,1-5H3,(H,35,39)/t28-,29+/m0/s1 BNTVCVCCNARYIP-URLMMPGGSA-N 50231688 CHEMBL252458::N-((2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG0 2VIE 23657802 104055255 CHEMBL252458 ZINC16052608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146801 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COCC(C)C)N1CCCC1=O InChI=1S/C31H46N4O4/c1-6-32-25-16-24(17-26(18-25)35-14-10-13-29(35)37)30(38)34-27(15-23-11-8-7-9-12-23)28(36)19-33-31(4,5)21-39-20-22(2)3/h7-9,11-12,16-18,22,27-28,32-33,36H,6,10,13-15,19-21H2,1-5H3,(H,34,38)/t27-,28+/m0/s1 DXLLAPMROUKAHN-WUFINQPMSA-N 50231683 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(1-isobutoxy-2-methylpropan-2-ylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL252655 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446202 104055250 CHEMBL252655 ZINC28978412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146802 CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O InChI=1S/C31H46N4O3/c1-5-7-11-16-31(3,4)33-22-28(36)27(18-23-13-9-8-10-14-23)34-30(38)24-19-25(32-6-2)21-26(20-24)35-17-12-15-29(35)37/h8-10,13-14,19-21,27-28,32-33,36H,5-7,11-12,15-18,22H2,1-4H3,(H,34,38)/t27-,28+/m0/s1 SZYBPAXICZXZGW-WUFINQPMSA-N 50231687 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(2-methylheptan-2-ylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL252459 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446201 104055254 CHEMBL252459 ZINC28978407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146803 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCCCC(C)C)N1CCCC1=O InChI=1S/C30H44N4O3/c1-4-32-25-18-24(19-26(20-25)34-16-10-14-29(34)36)30(37)33-27(17-23-12-6-5-7-13-23)28(35)21-31-15-9-8-11-22(2)3/h5-7,12-13,18-20,22,27-28,31-32,35H,4,8-11,14-17,21H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 KDFMFNIYGTUGIZ-WUFINQPMSA-N 50231684 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(5-methylhexylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL428587 Beta-secretase 1 Homo sapiens 305 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10324013 104055251 CHEMBL428587 ZINC28978402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146804 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCC1=O InChI=1S/C32H48N4O3/c1-6-33-26-19-25(20-27(21-26)36-17-11-15-30(36)38)31(39)35-28(18-24-13-8-7-9-14-24)29(37)22-34-32(4,5)16-10-12-23(2)3/h7-9,13-14,19-21,23,28-29,33-34,37H,6,10-12,15-18,22H2,1-5H3,(H,35,39)/t28-,29+/m0/s1 BNTVCVCCNARYIP-URLMMPGGSA-N 50231688 CHEMBL252458::N-((2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG0 2VIE 23657802 104055255 CHEMBL252458 ZINC16052608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146805 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)CCCC(C)C)N1CCCC1=O InChI=1S/C31H46N4O3/c1-5-32-26-18-25(19-27(20-26)35-16-10-15-30(35)37)31(38)34-28(17-24-13-7-6-8-14-24)29(36)21-33-23(4)12-9-11-22(2)3/h6-8,13-14,18-20,22-23,28-29,32-33,36H,5,9-12,15-17,21H2,1-4H3,(H,34,38)/t23?,28-,29+/m0/s1 KEYMCXPYOIICBR-DBUNYZNWSA-N 50231698 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(6-methylheptan-2-ylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL252263 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446200 104055265 CHEMBL252263 ZINC28978399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146806 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCCCC1)N1CCCC1=O InChI=1S/C30H42N4O3/c1-2-32-25-17-24(18-26(19-25)34-15-9-14-29(34)36)30(37)33-27(16-22-10-5-3-6-11-22)28(35)21-31-20-23-12-7-4-8-13-23/h3,5-6,10-11,17-19,23,27-28,31-32,35H,2,4,7-9,12-16,20-21H2,1H3,(H,33,37)/t27-,28+/m0/s1 CLVVTNIMNXEYMC-WUFINQPMSA-N 50231696 CHEMBL252262::N-((2S,3R)-4-(cyclohexylmethylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 5890 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446199 104055263 CHEMBL252262 ZINC28978389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146807 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCSCC1)N1CCCC1=O InChI=1S/C28H38N4O3S/c1-2-29-23-16-21(17-24(18-23)32-12-6-9-27(32)34)28(35)31-25(15-20-7-4-3-5-8-20)26(33)19-30-22-10-13-36-14-11-22/h3-5,7-8,16-18,22,25-26,29-30,33H,2,6,9-15,19H2,1H3,(H,31,35)/t25-,26+/m0/s1 JKMKQSJNAYENGT-IZZNHLLZSA-N 50231679 3-(ethylamino)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(tetrahydro-2H-thiopyran-4-ylamino)butan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL252058 Beta-secretase 1 Homo sapiens 650 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446198 104055246 CHEMBL252058 ZINC28978385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146808 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCC1)N1CCCC1=O InChI=1S/C28H38N4O3/c1-2-29-23-16-21(17-24(18-23)32-14-8-13-27(32)34)28(35)31-25(15-20-9-4-3-5-10-20)26(33)19-30-22-11-6-7-12-22/h3-5,9-10,16-18,22,25-26,29-30,33H,2,6-8,11-15,19H2,1H3,(H,31,35)/t25-,26+/m0/s1 NTZXVJXVQDVOLV-IZZNHLLZSA-N 50231675 CHEMBL402122::N-((2S,3R)-4-(cyclopentylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::TCMDC-138844 Beta-secretase 1 Homo sapiens 2450 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10073810 104055242 CHEMBL402122 ZINC28978380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146809 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCC1=O InChI=1S/C29H38N6O3/c1-3-31-24-14-23(15-25(16-24)35-12-8-11-28(35)37)29(38)33-26(13-21-9-6-5-7-10-21)27(36)19-30-17-22-18-32-34(4-2)20-22/h5-7,9-10,14-16,18,20,26-27,30-31,36H,3-4,8,11-13,17,19H2,1-2H3,(H,33,38)/t26-,27+/m0/s1 VQBBFJFTEHVVJZ-RRPNLBNLSA-N 50231673 CHEMBL402171::N-((2S,3R)-4-((1-ethyl-1H-pyrazol-4-yl)methylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446212 104055240 CHEMBL402171 ZINC28978605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146810 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)n1)N1CCCC1=O InChI=1S/C30H37N5O4/c1-3-32-24-16-22(17-25(18-24)35-14-8-13-29(35)37)30(38)34-26(15-21-9-5-4-6-10-21)27(36)20-31-19-23-11-7-12-28(33-23)39-2/h4-7,9-12,16-18,26-27,31-32,36H,3,8,13-15,19-20H2,1-2H3,(H,34,38)/t26-,27+/m0/s1 NBDKAUCCFLDJRV-RRPNLBNLSA-N 50231677 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-((6-methoxypyridin-2-yl)methylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL254138 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446211 104055244 CHEMBL254138 ZINC28978601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146811 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cc(OC)cc(OC)c1)N1CCCC1=O InChI=1S/C32H40N4O5/c1-4-34-25-16-24(17-26(18-25)36-12-8-11-31(36)38)32(39)35-29(15-22-9-6-5-7-10-22)30(37)21-33-20-23-13-27(40-2)19-28(14-23)41-3/h5-7,9-10,13-14,16-19,29-30,33-34,37H,4,8,11-12,15,20-21H2,1-3H3,(H,35,39)/t29-,30+/m0/s1 YREYFYQYLVEDKG-XZWHSSHBSA-N 50231686 CHEMBL403820::N-((2S,3R)-4-(3,5-dimethoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446210 104055253 CHEMBL403820 ZINC28978597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146812 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146813 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146814 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCCC1)N1CCCC1=O InChI=1S/C30H42N4O3/c1-2-31-25-18-23(19-26(20-25)34-16-10-15-29(34)36)30(37)33-27(17-22-11-6-5-7-12-22)28(35)21-32-24-13-8-3-4-9-14-24/h5-7,11-12,18-20,24,27-28,31-32,35H,2-4,8-10,13-17,21H2,1H3,(H,33,37)/t27-,28+/m0/s1 MWGLTIRECTZMSF-WUFINQPMSA-N 50231674 CHEMBL430400::N-((2S,3R)-4-(cycloheptylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 1120 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446197 104055241 CHEMBL430400 ZINC28978376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146815 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCC1=O InChI=1S/C29H40N4O3/c1-2-30-24-17-22(18-25(19-24)33-15-9-14-28(33)35)29(36)32-26(16-21-10-5-3-6-11-21)27(34)20-31-23-12-7-4-8-13-23/h3,5-6,10-11,17-19,23,26-27,30-31,34H,2,4,7-9,12-16,20H2,1H3,(H,32,36)/t26-,27+/m0/s1 PVDHVIVUNLQJLY-RRPNLBNLSA-N 50231678 CHEMBL252057::N-((2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG7 2VJ9 9983140 104055245 CHEMBL252057 ZINC13133641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146816 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146817 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CCc2ccccc12)N1CCCC1=O InChI=1S/C32H38N4O3/c1-2-33-25-18-24(19-26(20-25)36-16-8-13-31(36)38)32(39)35-29(17-22-9-4-3-5-10-22)30(37)21-34-28-15-14-23-11-6-7-12-27(23)28/h3-7,9-12,18-20,28-30,33-34,37H,2,8,13-17,21H2,1H3,(H,35,39)/t28-,29+,30-/m1/s1 NLSNSOOHLJWWBV-DYIKCSJPSA-N 50231692 CHEMBL252495::N-((2S,3R)-4-((R)-2,3-dihydro-1H-inden-1-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::TCMDC-132414 Beta-secretase 1 Homo sapiens 34670 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446207 104055259 CHEMBL252495 ZINC28978451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146818 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1 YKYXAHIQYWIJPR-PNTFMKQHSA-N 50231691 CHEMBL402120::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(methylsulfonyl)benzamide Beta-secretase 1 Homo sapiens 5400 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446196 104055258 CHEMBL402120 ZINC28978356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146819 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(Cl)c1)N1CCCC1=O InChI=1S/C30H35ClN4O3/c1-2-33-25-16-23(17-26(18-25)35-13-7-12-29(35)37)30(38)34-27(15-21-8-4-3-5-9-21)28(36)20-32-19-22-10-6-11-24(31)14-22/h3-6,8-11,14,16-18,27-28,32-33,36H,2,7,12-13,15,19-20H2,1H3,(H,34,38)/t27-,28+/m0/s1 ZYPHKMBWKDJJOF-WUFINQPMSA-N 50231689 CHEMBL253719::N-((2S,3R)-4-(3-chlorobenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 83 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446209 104055256 CHEMBL253719 ZINC28978595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146820 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCC1=O InChI=1S/C32H38N4O3/c1-2-33-25-18-24(19-26(20-25)36-16-8-13-31(36)38)32(39)35-29(17-22-9-4-3-5-10-22)30(37)21-34-28-15-14-23-11-6-7-12-27(23)28/h3-7,9-12,18-20,28-30,33-34,37H,2,8,13-17,21H2,1H3,(H,35,39)/t28-,29-,30+/m0/s1 NLSNSOOHLJWWBV-OIFRRMEBSA-N 50231690 CHEMBL253060::N-((2S,3R)-4-((S)-2,3-dihydro-1H-inden-1-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide::TCMDC-138917 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446206 104055257 CHEMBL253060 ZINC28978447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146821 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1)N1CCCC1=O InChI=1S/C31H38N4O3/c1-2-33-26-19-25(20-27(21-26)35-17-9-14-30(35)37)31(38)34-28(18-24-12-7-4-8-13-24)29(36)22-32-16-15-23-10-5-3-6-11-23/h3-8,10-13,19-21,28-29,32-33,36H,2,9,14-18,22H2,1H3,(H,34,38)/t28-,29+/m0/s1 SRVJEHDGKSXUGW-URLMMPGGSA-N 50231697 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(phenethylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL404501 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446205 104055264 CHEMBL404501 ZINC28978442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146822 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCC1=O InChI=1S/C31H35F3N4O4/c1-2-36-24-16-23(17-25(18-24)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-26(14-22)42-31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1 QNEVJIWNSZTEGF-WUFINQPMSA-N 50231694 CHEMBL402348::N-((2S,3R)-4-(3-(trifluoromethoxy)benzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10415909 104055261 CHEMBL402348 ZINC28978585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146823 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)N1CCCC1=O InChI=1S/C29H34N4O3/c1-2-30-24-17-22(18-25(19-24)33-15-9-14-28(33)35)29(36)32-26(16-21-10-5-3-6-11-21)27(34)20-31-23-12-7-4-8-13-23/h3-8,10-13,17-19,26-27,30-31,34H,2,9,14-16,20H2,1H3,(H,32,36)/t26-,27+/m0/s1 SFMOCUPWKLWIBH-RRPNLBNLSA-N 50231681 3-(ethylamino)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(phenylamino)butan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL252861 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446204 104055248 CHEMBL252861 ZINC28978438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146824 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(OC)cc1)N1CCCC1=O InChI=1S/C31H38N4O4/c1-3-33-25-17-24(18-26(19-25)35-15-7-10-30(35)37)31(38)34-28(16-22-8-5-4-6-9-22)29(36)21-32-20-23-11-13-27(39-2)14-12-23/h4-6,8-9,11-14,17-19,28-29,32-33,36H,3,7,10,15-16,20-21H2,1-2H3,(H,34,38)/t28-,29+/m0/s1 VPCVRIRYKSQLQR-URLMMPGGSA-N 50231695 CHEMBL404500::N-((2S,3R)-4-(4-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 2090 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9984485 104055262 CHEMBL404500 ZINC28978434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146825 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CCCCC1)c1cccc(OC)c1)N1CCCC1=O InChI=1S/C36H46N4O4/c1-3-37-29-21-27(22-30(24-29)40-19-11-16-34(40)42)35(43)39-32(20-26-12-6-4-7-13-26)33(41)25-38-36(17-8-5-9-18-36)28-14-10-15-31(23-28)44-2/h4,6-7,10,12-15,21-24,32-33,37-38,41H,3,5,8-9,11,16-20,25H2,1-2H3,(H,39,43)/t32-,33+/m0/s1 WSYWLGZDHCWXRB-JHOUSYSJSA-N 50231676 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(1-(3-methoxyphenyl)cyclohexylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL403427 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24882477 104055243 CHEMBL403427 ZINC28978574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146826 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1OC)N1CCCC1=O InChI=1S/C31H38N4O4/c1-3-33-25-17-24(18-26(19-25)35-15-9-14-30(35)37)31(38)34-27(16-22-10-5-4-6-11-22)28(36)21-32-20-23-12-7-8-13-29(23)39-2/h4-8,10-13,17-19,27-28,32-33,36H,3,9,14-16,20-21H2,1-2H3,(H,34,38)/t27-,28+/m0/s1 PTIGXNFGODXOBH-WUFINQPMSA-N 50231693 CHEMBL429668::N-((2S,3R)-4-(2-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10369729 104055260 CHEMBL429668 ZINC28978429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146827 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C33H39F3N4O3/c1-4-37-26-17-23(18-27(20-26)40-15-9-14-30(40)42)31(43)39-28(16-22-10-6-5-7-11-22)29(41)21-38-32(2,3)24-12-8-13-25(19-24)33(34,35)36/h5-8,10-13,17-20,28-29,37-38,41H,4,9,14-16,21H2,1-3H3,(H,39,43)/t28-,29+/m0/s1 ZDVISXXOPXEHTP-URLMMPGGSA-N 50231685 3-(ethylamino)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(2-(3-(trifluoromethyl)phenyl)propan-2-ylamino)butan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL403207 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446203 104055252 CHEMBL403207 ZINC28978425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146828 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCC1=O InChI=1S/C30H36N4O3/c1-2-32-25-17-24(18-26(19-25)34-15-9-14-29(34)36)30(37)33-27(16-22-10-5-3-6-11-22)28(35)21-31-20-23-12-7-4-8-13-23/h3-8,10-13,17-19,27-28,31-32,35H,2,9,14-16,20-21H2,1H3,(H,33,37)/t27-,28+/m0/s1 QJHJEVHSBAUDFK-WUFINQPMSA-N 50231699 CHEMBL252860::N-((2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 760 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10391277 104055266 CHEMBL252860 ZINC28978423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146829 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1 QPGDTFHILHXFBQ-WUFINQPMSA-N 29756 CHEMBL403429::hydroxyethylamine derivative, 6 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2007.12.019 10.7270/Q2J67GP2 18166458 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG6 2VJ7 10008157 85147522 CHEMBL403429 ZINC16052618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146835 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1 HIQWWDCRULXYDF-SWROZOJRSA-N 50231937 CHEMBL403268::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BSD 5MCO,2VKM 24882306 104055368 CHEMBL403268 ZINC29037415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146836 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2ccn(c2c1)S(C)(=O)=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H43N5O7S2/c1-26(29-13-9-6-10-14-29)40-37(45)31-21-32(23-33(22-31)42(2)51(3,47)48)38(46)41-34(19-27-11-7-5-8-12-27)36(44)25-39-24-28-15-16-30-17-18-43(35(30)20-28)52(4,49)50/h5-18,20-23,26,34,36,39,44H,19,24-25H2,1-4H3,(H,40,45)(H,41,46)/t26-,34+,36-/m1/s1 IVOWVXLKWZXELP-OUJNJVGLSA-N 50231932 CHEMBL253930::N1-((2S,3R)-3-hydroxy-4-((1-(methylsulfonyl)-1H-indol-6-yl)methylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446522 104055363 CHEMBL253930 ZINC95542183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146837 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2cc[nH]c2c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C37H41N5O5S/c1-25(28-12-8-5-9-13-28)40-36(44)30-20-31(22-32(21-30)42(2)48(3,46)47)37(45)41-34(18-26-10-6-4-7-11-26)35(43)24-38-23-27-14-15-29-16-17-39-33(29)19-27/h4-17,19-22,25,34-35,38-39,43H,18,23-24H2,1-3H3,(H,40,44)(H,41,45)/t25-,34+,35-/m1/s1 SMQRADVWSPEEOF-XOUBVTBXSA-N 50231933 CHEMBL253929::N1-((2S,3R)-4-((1H-indol-6-yl)methylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446521 104055364 CHEMBL253929 ZINC29037413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146838 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc2nc(C)oc2C)c1 InChI=1S/C29H38N4O8S/c1-19-25(31-20(2)41-19)17-40-29(36)33-26(18-42(4,37)38)28(35)32-24(14-21-9-6-5-7-10-21)27(34)16-30-15-22-11-8-12-23(13-22)39-3/h5-13,24,26-27,30,34H,14-18H2,1-4H3,(H,32,35)(H,33,36)/t24-,26-,27+/m0/s1 AQVZMNPLRDUERC-DOEKTCAHSA-N 50231935 (2,5-dimethyloxazol-4-yl)methyl (R)-1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-ylamino)-3-(methylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL252910 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446528 104055366 CHEMBL252910 ZINC29037429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146839 CC(C)NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(C)C InChI=1S/C36H49N5O6S/c1-23(2)33(36(45)38-24(3)4)37-22-32(42)31(18-26-14-10-8-11-15-26)40-35(44)29-19-28(20-30(21-29)41(6)48(7,46)47)34(43)39-25(5)27-16-12-9-13-17-27/h8-17,19-21,23-25,31-33,37,42H,18,22H2,1-7H3,(H,38,45)(H,39,43)(H,40,44)/t25-,31+,32-,33+/m1/s1 QIMOZJSXOGGKAV-FHQWFHQGSA-N 50231940 CHEMBL252276::N1-((2S,3R)-3-hydroxy-4-((S)-1-(isopropylamino)-3-methyl-1-oxobutan-2-ylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 564 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446520 104055371 CHEMBL252276 ZINC29037412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146840 CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C31H40N4O5S/c1-21(2)32-20-29(36)28(16-23-12-8-6-9-13-23)34-31(38)26-17-25(18-27(19-26)35(4)41(5,39)40)30(37)33-22(3)24-14-10-7-11-15-24/h6-15,17-19,21-22,28-29,32,36H,16,20H2,1-5H3,(H,33,37)(H,34,38)/t22-,28+,29-/m1/s1 TYLAFXLTQJYGOT-MXUAVAHLSA-N 50231941 CHEMBL253103::N1-((2S,3R)-3-hydroxy-4-(isopropylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 425 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446525 104055372 CHEMBL253103 ZINC29037421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146841 COc1cccc(CNC[C@@H](O)[C@H](CC(C)C)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C33H44N4O6S/c1-22(2)15-30(31(38)21-34-20-24-11-10-14-29(16-24)43-5)36-33(40)27-17-26(18-28(19-27)37(4)44(6,41)42)32(39)35-23(3)25-12-8-7-9-13-25/h7-14,16-19,22-23,30-31,34,38H,15,20-21H2,1-6H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1 BKBCKCGJQYFJJC-YYSPBGNDSA-N 50231936 CHEMBL253931::N1-((2R,3S)-1-(3-methoxybenzylamino)-2-hydroxy-5-methylhexan-3-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 916 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446524 104055367 CHEMBL253931 ZINC29037418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146842 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33-,34+/m0/s1 HIQWWDCRULXYDF-ZCWDHQIGSA-N 50231934 CHEMBL403269::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((S)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 617 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446523 104055365 CHEMBL403269 ZINC29037417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146843 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NCc2nc(C)oc2C)N(C)S(C)(=O)=O)c1 InChI=1S/C34H41N5O7S/c1-22-31(37-23(2)46-22)20-36-33(41)26-16-27(18-28(17-26)39(3)47(5,43)44)34(42)38-30(15-24-10-7-6-8-11-24)32(40)21-35-19-25-12-9-13-29(14-25)45-4/h6-14,16-18,30,32,35,40H,15,19-21H2,1-5H3,(H,36,41)(H,38,42)/t30-,32+/m0/s1 XWXGQIHGYRQPIQ-XDFJSJKPSA-N 50231931 CHEMBL403483::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((2,5-dimethyloxazol-4-yl)methyl)-5-(N-methylmethan-3-ylsulfonamido)isophthalamide Beta-secretase 1 Homo sapiens 552 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446526 104055362 CHEMBL403483 ZINC29037423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146844 CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C31H40N4O5S/c1-21(2)32-20-29(36)28(16-23-12-8-6-9-13-23)34-31(38)26-17-25(18-27(19-26)35(4)41(5,39)40)30(37)33-22(3)24-14-10-7-11-15-24/h6-15,17-19,21-22,28-29,32,36H,16,20H2,1-5H3,(H,33,37)(H,34,38)/t22-,28+,29-/m1/s1 TYLAFXLTQJYGOT-MXUAVAHLSA-N 50231941 CHEMBL253103::N1-((2S,3R)-3-hydroxy-4-(isopropylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446525 104055372 CHEMBL253103 ZINC29037421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146845 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1 HIQWWDCRULXYDF-SWROZOJRSA-N 50231937 CHEMBL403268::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BSD 5MCO,2VKM 24882306 104055368 CHEMBL403268 ZINC29037415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146846 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2ccn(c2c1)S(C)(=O)=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H43N5O7S2/c1-26(29-13-9-6-10-14-29)40-37(45)31-21-32(23-33(22-31)42(2)51(3,47)48)38(46)41-34(19-27-11-7-5-8-12-27)36(44)25-39-24-28-15-16-30-17-18-43(35(30)20-28)52(4,49)50/h5-18,20-23,26,34,36,39,44H,19,24-25H2,1-4H3,(H,40,45)(H,41,46)/t26-,34+,36-/m1/s1 IVOWVXLKWZXELP-OUJNJVGLSA-N 50231932 CHEMBL253930::N1-((2S,3R)-3-hydroxy-4-((1-(methylsulfonyl)-1H-indol-6-yl)methylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446522 104055363 CHEMBL253930 ZINC95542183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146847 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2cc[nH]c2c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C37H41N5O5S/c1-25(28-12-8-5-9-13-28)40-36(44)30-20-31(22-32(21-30)42(2)48(3,46)47)37(45)41-34(18-26-10-6-4-7-11-26)35(43)24-38-23-27-14-15-29-16-17-39-33(29)19-27/h4-17,19-22,25,34-35,38-39,43H,18,23-24H2,1-3H3,(H,40,44)(H,41,45)/t25-,34+,35-/m1/s1 SMQRADVWSPEEOF-XOUBVTBXSA-N 50231933 CHEMBL253929::N1-((2S,3R)-4-((1H-indol-6-yl)methylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 620 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446521 104055364 CHEMBL253929 ZINC29037413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146848 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C InChI=1S/C30H53N5O9S/c1-16(2)12-21(24(36)13-18(5)26(37)34-25(17(3)4)28(39)35-30(8,9)10)32-27(38)23(15-45(11,41)42)33-29(40)43-14-22-19(6)44-20(7)31-22/h16-18,21,23-25,36H,12-15H2,1-11H3,(H,32,38)(H,33,40)(H,34,37)(H,35,39)/t18-,21+,23+,24+,25+/m1/s1 GHQQZCMHUTUMJU-YJVJNSLESA-N 50231938 (2,5-dimethyloxazol-4-yl)methyl (R)-1-((4S,5S,7R)-8-((S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-ylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-ylamino)-3-(methylsulfonyl)-1-oxopropan-2-ylcarbamate::CHEMBL254740 Beta-secretase 1 Homo sapiens 0.120000 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446545 104055369 CHEMBL254740 ZINC29037455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146849 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2nc(C)oc2C)N(C)S(C)(=O)=O)c1 InChI=1S/C35H43N5O7S/c1-22(33-23(2)47-24(3)38-33)37-34(42)27-17-28(19-29(18-27)40(4)48(6,44)45)35(43)39-31(16-25-11-8-7-9-12-25)32(41)21-36-20-26-13-10-14-30(15-26)46-5/h7-15,17-19,22,31-32,36,41H,16,20-21H2,1-6H3,(H,37,42)(H,39,43)/t22?,31-,32+/m0/s1 ZVXULOKJHBSMDK-SLXSLGHESA-N 50231939 CHEMBL404144::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-(1-(2,5-dimethyloxazol-4-yl)ethyl)-5-(N-methylmethan-3-ylsulfonamido)isophthalamide Beta-secretase 1 Homo sapiens 894 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446527 104055370 CHEMBL404144 ZINC29037427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146850 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2007.12.028 10.7270/Q2513XZC 18180160 Ghosh, AK; Kumaragurubaran, N; Hong, L; Kulkarni, S; Xu, X; Miller, HB; Reddy, DS; Weerasena, V; Turner, R; Chang, W; Koelsch, G; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146897 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146898 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146899 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C InChI=1S/C31H43F2N3O4/c1-6-11-36(12-7-2)31(40)24-10-8-9-23(17-24)30(39)35-27(16-22-14-25(32)18-26(33)15-22)28(37)13-21(5)29(38)34-19-20(3)4/h8-10,14-15,17-18,20-21,27-28,37H,6-7,11-13,16,19H2,1-5H3,(H,34,38)(H,35,39)/t21-,27+,28+/m1/s1 XVGVQHKKBOYQOC-MHWRTBLVSA-N 15790 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL42908::Hydroxyethylene-Based Peptidomimetic Inhibitor, 20::hydroxyethylene (HE) Inhibitor 1 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918716 46516077 CHEMBL42908 ZINC14959542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146900 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146901 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(=O)cc(o1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29N7O7/c41-24-16-27(47-28(17-24)33(45)40-19-46-18-26(40)21-10-5-2-6-11-21)31(43)35-25(14-20-8-3-1-4-9-20)29(42)32(44)34-23-13-7-12-22(15-23)30-36-38-39-37-30/h1-13,15-17,25-26,29,42H,14,18-19H2,(H,34,44)(H,35,43)(H,36,37,38,39)/t25-,26+,29-/m0/s1 VVYIBMDIDAIBLH-HFASVGIHSA-N 50234644 CHEMBL400043::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-oxo-6-((S)-4-phenyloxazolidine-3-carbonyl)-4H-pyran-2-carboxamide Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25008964 104055973 CHEMBL400043 ZINC29039586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146902 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H30N8O6/c42-24-16-26(35-27(17-24)33(46)41-19-47-18-28(41)21-10-5-2-6-11-21)31(44)36-25(14-20-8-3-1-4-9-20)29(43)32(45)34-23-13-7-12-22(15-23)30-37-39-40-38-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,34,45)(H,35,42)(H,36,44)(H,37,38,39,40)/t25-,28+,29-/m0/s1 NORLMBBEWXGLPH-OYFGVDPJSA-N 50234645 CHEMBL253865::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-oxo-6-((S)-4-phenyloxazolidine-3-carbonyl)-1,4-dihydropyridine-2-carboxamide Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25166485 104055974 CHEMBL253865 ZINC29039583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146903 CS(=O)(=O)Oc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H32N8O8S/c1-51(47,48)50-25-17-27(36-28(18-25)34(46)42-20-49-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 UVCVQGLBIJRFPT-DEIHTGSNSA-N 50234646 2-(((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)carbamoyl)-6-((S)-4-phenyloxazolidine-3-carbonyl)pyridin-4-yl methanesulfonate::2-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylcarbamoyl)-6-((S)-4-phenyloxazolidine-3-carbonyl)pyridin-4-yl methanesulfonate::CHEMBL399840 Beta-secretase 1 Homo sapiens 96 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25166287 104055975 CHEMBL399840 ZINC29039579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146904 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1 FWQPAHHKYLASJX-WBAQKLHDSA-N 50182871 CHEMBL381826::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2Htetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962092 104067486 CHEMBL381826 ZINC34803864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146905 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H30N8O5/c42-29(32(44)34-24-14-7-13-23(18-24)30-37-39-40-38-30)27(17-21-9-3-1-4-10-21)36-31(43)25-15-8-16-26(35-25)33(45)41-20-46-19-28(41)22-11-5-2-6-12-22/h1-16,18,27-29,42H,17,19-20H2,(H,34,44)(H,36,43)(H,37,38,39,40)/t27-,28+,29-/m0/s1 RTGUYCLJFBOMBE-NHKHRBQYSA-N 50234643 CHEMBL399839::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25166288 104055972 CHEMBL399839 ZINC29039576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50146906 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1 CLHGRAHPLPVFAC-WBAQKLHDSA-N 50182869 CHEMBL439521::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2008.01.056 10.7270/Q2J38S96 18261904 Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962093 104067484 CHEMBL439521 ZINC95543009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144976 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCNc(c2)n1)c3)S(C)(=O)=O InChI=1S/C22H30N4O4S/c1-22(23)14-17-9-6-8-16(11-17)7-4-5-10-24-19-12-18(15-30-21(22)27)13-20(25-19)26(2)31(3,28)29/h6,8-9,11-13H,4-5,7,10,14-15,23H2,1-3H3,(H,24,25)/t22-/m1/s1 FRKCYKHKMBAPOU-JOCHJYFZSA-N 50221542 CHEMBL392361::N-((R)-13-amino-13-methyl-14-oxo-15-oxa-2,20-diaza-tricyclo[15.3.1.1,7,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433601 104094140 CHEMBL392361 ZINC28824407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144977 CC1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)nc(c3)N(C)S(C)(=O)=O)c2 InChI=1S/C24H33N3O4S/c1-17-8-10-18-6-5-7-19(12-18)15-24(2,25)23(28)31-16-20-13-21(11-9-17)26-22(14-20)27(3)32(4,29)30/h5-7,12-14,17H,8-11,15-16,25H2,1-4H3/t17?,24-/m1/s1 QWDOKZPZLWNULU-FZYLFJGDSA-N 50221537 CHEMBL235853::N-((R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-aza-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433605 104094135 CHEMBL235853 ZINC28824419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144978 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCCc(c2)n1)c3)S(C)(=O)=O InChI=1S/C23H31N3O4S/c1-23(24)15-18-10-7-9-17(12-18)8-5-4-6-11-20-13-19(16-30-22(23)27)14-21(25-20)26(2)31(3,28)29/h7,9-10,12-14H,4-6,8,11,15-16,24H2,1-3H3/t23-/m1/s1 MHQXMTAKLYGYAJ-HSZRJFAPSA-N 50221540 CHEMBL399595::N-((R)-5-amino-5-methyl-4-oxo-3-oxa-18-aza-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433607 104094138 CHEMBL399595 ZINC28824420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144979 CC(C)N1CCCCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(nc1c3)N(C)S(C)(=O)=O)c2 InChI=1S/C25H36N4O4S/c1-18(2)29-12-7-6-9-19-10-8-11-20(13-19)16-25(3,26)24(30)33-17-21-14-22(27-23(29)15-21)28(4)34(5,31)32/h8,10-11,13-15,18H,6-7,9,12,16-17,26H2,1-5H3/t25-/m1/s1 LDAYCXIZXXUEBP-RUZDIDTESA-N 50221544 CHEMBL442238::N-((R)-13-amino-2-isopropyl-13-methyl-14-oxo-15-oxa-2,20-diaza-tricyclo[15.3.1.1,7,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 22000 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433603 104094142 CHEMBL442238 ZINC28824411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144980 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCN(Cc4ccccc4)c(c2)n1)c3)S(C)(=O)=O InChI=1S/C29H36N4O4S/c1-29(30)19-24-14-9-13-22(16-24)10-7-8-15-33(20-23-11-5-4-6-12-23)27-18-25(21-37-28(29)34)17-26(31-27)32(2)38(3,35)36/h4-6,9,11-14,16-18H,7-8,10,15,19-21,30H2,1-3H3/t29-/m1/s1 QRBXQQOFAUZPAX-GDLZYMKVSA-N 50221539 CHEMBL235645::N-((R)-13-amino-2-benzyl-13-methyl-14-oxo-15-oxa-2,20-diaza-tricyclo[15.3.1.1,7,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433602 104094137 CHEMBL235645 ZINC28824410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144981 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(c(c2)c1)C(F)(F)F)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C30H34F3N3O4S/c1-29(34)18-21-9-7-8-20(14-21)12-13-26(23-10-5-4-6-11-23)35-27(30(31,32)33)24-15-22(19-40-28(29)37)16-25(17-24)36(2)41(3,38)39/h4-11,14-17,26-27,35H,12-13,18-19,34H2,1-3H3/t26-,27?,29-/m1/s1 DUMQNDKNNBUAOA-TUYDOOLMSA-N 50221545 CHEMBL392564::N-((5R,14R)-5-amino-5-methyl-4-oxo-14-phenyl-16-trifluoromethyl-3-oxa-15-aza-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433596 104094143 CHEMBL392564 ZINC28824383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144982 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCC(CCc(c2)n1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C29H35N3O4S/c1-29(30)19-22-9-7-8-21(16-22)12-13-25(24-10-5-4-6-11-24)14-15-26-17-23(20-36-28(29)33)18-27(31-26)32(2)37(3,34)35/h4-11,16-18,25H,12-15,19-20,30H2,1-3H3/t25?,29-/m1/s1 QMGASVJSBNQBAN-SNSSHHSLSA-N 50221536 CHEMBL235854::N-((R)-5-amino-5-methyl-4-oxo-14-phenyl-3-oxa-18-aza-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433606 104094134 CHEMBL235854 ZINC28824424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144983 CC1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)cc(c3)N(C)S(C)(=O)=O)c2 InChI=1S/C25H34N2O4S/c1-18-8-10-19-6-5-7-21(12-19)16-25(2,26)24(28)31-17-22-13-20(11-9-18)14-23(15-22)27(3)32(4,29)30/h5-7,12-15,18H,8-11,16-17,26H2,1-4H3/t18?,25-/m1/s1 LLKXCBKWDZOBGU-IXXGTQFESA-N 50221538 CHEMBL394225::N-((R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23661698 104094136 CHEMBL394225 ZINC28824416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144984 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O InChI=1S/C29H33N3O5S/c1-29(30)18-21-9-7-8-20(14-21)12-13-26(23-10-5-4-6-11-23)31-27(33)24-15-22(19-37-28(29)34)16-25(17-24)32(2)38(3,35)36/h4-11,14-17,26H,12-13,18-19,30H2,1-3H3,(H,31,33)/t26-,29-/m1/s1 LDSXQJNUHISCNC-GGXMVOPNSA-N 50212174 CHEMBL400438::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1,7,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433593 104088188 CHEMBL400438 ZINC28824373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144985 C[C@@H](NC(c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccc(F)cc1)N(C)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1 InChI=1S/C29H30F5N5O3S/c1-17(19-7-11-23(31)12-8-19)36-25(29(32,33)34)20-13-21(15-24(14-20)39(3)43(4,40)41)26-37-38-27(42-26)28(2,35)16-18-5-9-22(30)10-6-18/h5-15,17,25,36H,16,35H2,1-4H3/t17-,25?,28-/m1/s1 PAWUWEMCXDNURH-ZVNDLCAVSA-N 50221541 CHEMBL238409::N-(3-(5-((R)-2-amino-1-(4-fluorophenyl)propan-2-yl)-1,3,4-oxadiazol-2-yl)-5-(2,2,2-trifluoro-1-((R)-1-(4-fluorophenyl)ethylamino)ethyl)phenyl)-N-methylmethanesulfonamide Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433597 104094139 CHEMBL238409 ZINC28824391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144986 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCN(CC4CC4)c(c2)n1)c3)S(C)(=O)=O InChI=1S/C26H36N4O4S/c1-26(27)16-21-9-6-8-19(13-21)7-4-5-12-30(17-20-10-11-20)24-15-22(18-34-25(26)31)14-23(28-24)29(2)35(3,32)33/h6,8-9,13-15,20H,4-5,7,10-12,16-18,27H2,1-3H3/t26-/m1/s1 BPRUCSFYZLMIEE-AREMUKBSSA-N 50221543 CHEMBL394224::N-((R)-13-amino-2-cyclopropylmethyl-13-methyl-14-oxo-15-oxa-2,20-diaza-tricyclo[15.3.1.1,7,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl)-N-methyl-methanesulfonamide Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44433604 104094141 CHEMBL394224 ZINC28824412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50144987 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 QEJSJQVKMSAHHX-KWMCUTETSA-N 16041 3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::CHEMBL219601::L-001233771::oxadiazoyl tertiary carbinamine 8 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2007.08.040 10.7270/Q2QV3M7G 17827011 Moore, KP; Zhu, H; Rajapakse, HA; McGaughey, GB; Colussi, D; Price, EA; Sankaranarayanan, S; Simon, AJ; Pudvah, NT; Hochman, JH; Allison, T; Munshi, SK; Graham, SL; Vacca, JP; Nantermet, PG Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I02 2IRZ 11692473 46516308 CHEMBL219601 ZINC10339564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50147427 CCC(C)C1NC(=O)C(SCc2cccc(c2)C(F)(F)F)C1=O InChI=1S/C16H18F3NO2S/c1-3-9(2)12-13(21)14(15(22)20-12)23-8-10-5-4-6-11(7-10)16(17,18)19/h4-7,9,12,14H,3,8H2,1-2H3,(H,20,22) QGHRPTIBZHSFKL-UHFFFAOYSA-N 50261631 3-(3-(trifluoromethyl)benzylthio)-5-sec-butyl-4-hydroxy-1H-pyrrol-2(5H)-one::CHEMBL468168::Tetramic acid, 38 Beta-secretase 1 Homo sapiens 60000 ChEMBL 10.1016/j.bmc.2008.02.069 10.7270/Q2C24W6P 18334299 Schobert, R; Schlenk, A University of Bayreuth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91935399 104110583 CHEMBL468168 ZINC38238014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156560 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F InChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29) PIONCLLNBJJWDA-UHFFFAOYSA-N 50300720 8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-methoxyphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584267 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633041 104155081 CHEMBL584267 ZINC35969003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156561 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1 OPSMDCTXTURNQW-QHCPKHFHSA-N 50300719 (8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584509 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11655737 104155080 CHEMBL584509 ZINC35998747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156562 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F InChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29) PIONCLLNBJJWDA-UHFFFAOYSA-N 50300720 8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-methoxyphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584267 Beta-secretase 1 Homo sapiens 1630 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633041 104155081 CHEMBL584267 ZINC35969003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156563 NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30) SCODXNNXABJQIY-UHFFFAOYSA-N 50300711 8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-4,8-dihydro-3H-imidazo[5,1-c][1,2,4]oxadiazin-6-amine::CHEMBL567430 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24950594 104155072 CHEMBL567430 ZINC45253858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156564 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1 OPSMDCTXTURNQW-QHCPKHFHSA-N 50300719 (8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584509 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11655737 104155080 CHEMBL584509 ZINC35998747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156565 NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30) SCODXNNXABJQIY-UHFFFAOYSA-N 50300711 8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-4,8-dihydro-3H-imidazo[5,1-c][1,2,4]oxadiazin-6-amine::CHEMBL567430 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24950594 104155072 CHEMBL567430 ZINC45253858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156566 NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C25H21F4N5O/c26-21-20(7-4-13-31-21)16-5-3-6-18(15-16)24(17-8-10-19(11-9-17)35-25(27,28)29)22-32-12-1-2-14-34(22)23(30)33-24/h3-11,13,15H,1-2,12,14H2,(H2,30,33) AMHTVOUZASNVCQ-UHFFFAOYSA-N 50300713 9-(3-(2-fluoropyridin-3-yl)phenyl)-9-(4-(trifluoromethoxy)phenyl)-3,4,5,9-tetrahydro-2H-imidazo[1,5-a][1,3]diazepin-7-amine::CHEMBL565914 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184936 104155074 CHEMBL565914 ZINC45253721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156567 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1 OPSMDCTXTURNQW-QHCPKHFHSA-N 50300719 (8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584509 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11655737 104155080 CHEMBL584509 ZINC35998747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156568 NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C25H21F4N5O/c26-21-20(7-4-13-31-21)16-5-3-6-18(15-16)24(17-8-10-19(11-9-17)35-25(27,28)29)22-32-12-1-2-14-34(22)23(30)33-24/h3-11,13,15H,1-2,12,14H2,(H2,30,33) AMHTVOUZASNVCQ-UHFFFAOYSA-N 50300713 9-(3-(2-fluoropyridin-3-yl)phenyl)-9-(4-(trifluoromethoxy)phenyl)-3,4,5,9-tetrahydro-2H-imidazo[1,5-a][1,3]diazepin-7-amine::CHEMBL565914 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184936 104155074 CHEMBL565914 ZINC45253721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156569 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 InChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30) HAEYOFDFQFNGQU-UHFFFAOYSA-N 50300722 8-(3-(2-cyclopropylethyl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583888 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11647909 104155083 CHEMBL583888 ZINC35998158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156570 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1 OPSMDCTXTURNQW-QHCPKHFHSA-N 50300719 (8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584509 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11655737 104155080 CHEMBL584509 ZINC35998747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156571 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 InChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30) HAEYOFDFQFNGQU-UHFFFAOYSA-N 50300722 8-(3-(2-cyclopropylethyl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583888 Beta-secretase 1 Homo sapiens 950 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11647909 104155083 CHEMBL583888 ZINC35998158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156572 CC(C)(C)c1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 InChI=1S/C22H26N4/c1-21(2,3)17-11-7-12-18(15-17)22(16-9-5-4-6-10-16)19-24-13-8-14-26(19)20(23)25-22/h4-7,9-12,15H,8,13-14H2,1-3H3,(H2,23,25) ADMMMBVWAVNVKS-UHFFFAOYSA-N 50300723 8-(3-tert-butylphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583213 Beta-secretase 1 Homo sapiens 30200 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478657 104155084 CHEMBL583213 ZINC45319391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156573 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccccc2)c1 InChI=1S/C25H24N4/c26-24-28-25(21-12-5-2-6-13-21,23-27-15-8-16-29(23)24)22-14-7-11-20(18-22)17-19-9-3-1-4-10-19/h1-7,9-14,18H,8,15-17H2,(H2,26,28) ZIPALACJMVBMLD-UHFFFAOYSA-N 50300727 8-(3-benzylphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL566977 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11710655 104155088 CHEMBL566977 ZINC34635398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156574 CCOc1ccc(cc1OCC)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F InChI=1S/C27H28FN5O2/c1-3-34-22-12-11-20(17-23(22)35-4-2)27(25-31-14-7-15-33(25)26(29)32-27)19-9-5-8-18(16-19)21-10-6-13-30-24(21)28/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H2,29,32) TWIURROXDBTAGU-UHFFFAOYSA-N 50300715 8-(3,4-diethoxyphenyl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL566978 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478656 104155076 CHEMBL566978 ZINC45245723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156575 NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m1/s1 OPSMDCTXTURNQW-HSZRJFAPSA-N 50300733 (8R)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL576258 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11532880 104155094 CHEMBL576258 ZINC35998746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156576 NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H17F4N5O/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-30-11-12-32(20)21(28)31-22)15-6-8-17(9-7-15)33-23(25,26)27/h1-10,13H,11-12H2,(H2,28,31) ZASDNILYUCOUST-UHFFFAOYSA-N 50300714 7-(3-(2-fluoropyridin-3-yl)phenyl)-7-(4-(trifluoromethoxy)phenyl)-3,7-dihydro-2H-imidazo[1,5-a]imidazol-5-amine::CHEMBL566112 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184937 104155075 CHEMBL566112 ZINC45246059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156577 NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C26H23F4N5O/c27-22-21(8-5-14-32-22)17-6-4-7-19(16-17)25(18-9-11-20(12-10-18)36-26(28,29)30)23-33-13-2-1-3-15-35(23)24(31)34-25/h4-12,14,16H,1-3,13,15H2,(H2,31,34)/b33-23- UFMYOISPMQWRNH-SNCSUOKWSA-N 50300712 10-(3-(2-fluoropyridin-3-yl)phenyl)-10-(4-(trifluoromethoxy)phenyl)-2,3,4,5,6,10-hexahydroimidazo[1,5-a][1,3]diazocin-8-amine::CHEMBL568960 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184934 104155073 CHEMBL568960 ZINC45257242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156578 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32) FDBNUXAMAFEWOP-UHFFFAOYSA-N 16755 Acylguanidine, 10d::N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16090348 46516975 ZINC14962120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154322 CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O6/c1-5-14-44(15-6-2)39(47)29-20-28(21-33(22-29)50-37-13-8-7-12-36(37)49-4)38(46)43-34(19-27-16-30(40)23-31(41)17-27)35(45)25-42-24-26-10-9-11-32(18-26)48-3/h7-13,16-18,20-23,34-35,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t34-,35+/m0/s1 QOGMKCHLFNJYRM-OIDHKYIRSA-N 50294647 CHEMBL557278::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2-methoxyphenoxy)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272386 104136178 CHEMBL557278 ZINC49650210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154323 CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H43F2N3O5/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)48-32-11-7-6-8-12-32)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-13-33(18-26)47-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1 QLIXSLLHXFBBJS-MPQUPPDSSA-N 50294645 CHEMBL539976::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-phenoxy-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272385 104136176 CHEMBL539976 ZINC49614594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154324 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1 JEEOUWBWJFSMIP-IOWSJCHKSA-N 15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS5 3L58,2QK5 9916309 46516083 ZINC03965949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154325 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1 JEEOUWBWJFSMIP-IOWSJCHKSA-N 15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS5 3L58,2QK5 9916309 46516083 ZINC03965949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154326 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C37H40F2N4O6S/c1-5-14-49-42-25(2)28-19-29(21-33(20-28)43(50(4,46)47)32-11-7-6-8-12-32)37(45)41-35(18-27-15-30(38)22-31(39)16-27)36(44)24-40-23-26-10-9-13-34(17-26)48-3/h5-13,15-17,19-22,35-36,40,44H,1,14,18,23-24H2,2-4H3,(H,41,45)/b42-25-/t35-,36+/m0/s1 MZMAATFSWMNCNR-TUDOCBHASA-N 50294643 3-(1-(allyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL557343 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272384 104136174 CHEMBL557343 ZINC49650214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154327 CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H38F2N4O6S/c1-23(40-47-3)26-17-27(19-31(18-26)41(48(4,44)45)30-10-6-5-7-11-30)35(43)39-33(16-25-13-28(36)20-29(37)14-25)34(42)22-38-21-24-9-8-12-32(15-24)46-2/h5-15,17-20,33-34,38,42H,16,21-22H2,1-4H3,(H,39,43)/b40-23+/t33-,34+/m0/s1 QSISXEMQSXRVSL-JXIRYUIFSA-N 50294641 CHEMBL539975::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(-1-(methoxyimino)ethyl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16062196 104136172 CHEMBL539975 ZINC49614581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154328 CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O InChI=1S/C30H36F2N4O6S/c1-19(35-42-4)22-13-23(15-26(14-22)36(2)43(5,39)40)30(38)34-28(12-21-9-24(31)16-25(32)10-21)29(37)18-33-17-20-7-6-8-27(11-20)41-3/h6-11,13-16,28-29,33,37H,12,17-18H2,1-5H3,(H,34,38)/b35-19+/t28-,29+/m0/s1 PQYLHOJNCXAHKK-VLCLIKAESA-N 50294633 CHEMBL553612::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(methoxyimino)ethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272383 104136164 CHEMBL553612 ZINC42923435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154329 CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O6/c1-5-14-44(15-6-2)39(47)29-20-28(21-33(22-29)50-37-13-8-7-12-36(37)49-4)38(46)43-34(19-27-16-30(40)23-31(41)17-27)35(45)25-42-24-26-10-9-11-32(18-26)48-3/h7-13,16-18,20-23,34-35,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t34-,35+/m0/s1 QOGMKCHLFNJYRM-OIDHKYIRSA-N 50294647 CHEMBL557278::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2-methoxyphenoxy)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens >666 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272386 104136178 CHEMBL557278 ZINC49650210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154331 CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H43F2N3O5/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)48-32-11-7-6-8-12-32)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-13-33(18-26)47-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1 QLIXSLLHXFBBJS-MPQUPPDSSA-N 50294645 CHEMBL539976::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-phenoxy-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens >333 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272385 104136176 CHEMBL539976 ZINC49614594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154334 CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O7S/c1-5-14-44(15-6-2)39(47)29-20-28(21-35(22-29)52(48,49)34-12-10-32(50-3)11-13-34)38(46)43-36(19-27-16-30(40)23-31(41)17-27)37(45)25-42-24-26-8-7-9-33(18-26)51-4/h7-13,16-18,20-23,36-37,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t36-,37+/m0/s1 MTCIPTUJJRPMSH-PQQNNWGCSA-N 50294652 CHEMBL558542::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-methoxyphenylsulfonyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45267240 104136183 CHEMBL558542 ZINC49650310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154338 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C34H35F2N3O6S/c1-22(40)25-16-26(18-30(17-25)39(46(3,43)44)29-9-5-4-6-10-29)34(42)38-32(15-24-12-27(35)19-28(36)13-24)33(41)21-37-20-23-8-7-11-31(14-23)45-2/h4-14,16-19,32-33,37,41H,15,20-21H2,1-3H3,(H,38,42)/t32-,33+/m0/s1 BGEADCXJYGZUSB-JHOUSYSJSA-N 50294639 3-acetyl-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL541172 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16062314 104136170 CHEMBL541172 ZINC49614353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154339 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(C)S(C)(=O)=O)c1 InChI=1S/C32H38F2N4O6S/c1-6-10-44-37-21(2)24-15-25(17-28(16-24)38(3)45(5,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-8-7-9-29(13-22)43-4/h6-9,11-13,15-18,30-31,35,39H,1,10,14,19-20H2,2-5H3,(H,36,40)/b37-21-/t30-,31+/m0/s1 CALKIYRQFCXOGT-TZUQGGKVSA-N 50294635 3-(1-(allyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL552323 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269828 104136166 CHEMBL552323 ZINC49639560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154340 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N=O InChI=1S/C34H42F2N4O5/c1-5-10-40(11-6-2)34(43)27-17-25(22(3)39-44)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)45-4/h7-9,12-14,16-19,22,31-32,37,41H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/t22?,31-,32+/m0/s1 WTYYUDWDDAJQET-SLXSLGHESA-N 50294655 CHEMBL540729::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(hydroxyimino)ethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91399495 104136186 CHEMBL540729 ZINC42967185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154341 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)O)c1 InChI=1S/C31H37F2N3O6S/c1-20(37)23-14-24(16-27(15-23)36-8-3-4-9-43(36,40)41)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)42-2/h5-7,10-12,14-17,20,29-30,34,37-38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t20?,29-,30+/m0/s1 SUBPLMSAMVHRTE-ASEAFGBGSA-N 50294622 CHEMBL541977::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-(1-hydroxy-ethyl)-benzamide Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269826 104136153 CHEMBL541977 ZINC42967294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154345 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(C)S(C)(=O)=O)c1 InChI=1S/C29H33F2N3O6S/c1-18(35)21-12-22(14-25(13-21)34(2)41(4,38)39)29(37)33-27(11-20-8-23(30)15-24(31)9-20)28(36)17-32-16-19-6-5-7-26(10-19)40-3/h5-10,12-15,27-28,32,36H,11,16-17H2,1-4H3,(H,33,37)/t27-,28+/m0/s1 MVNBIYWBFZDBIH-WUFINQPMSA-N 50294630 3-acetyl-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL550753 Beta-secretase 1 Homo sapiens 124 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272379 104136161 CHEMBL550753 ZINC43014872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154346 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N2CCCCS2(=O)=O)c1 InChI=1S/C34H40F2N4O6S/c1-4-11-46-39-23(2)26-17-27(19-30(18-26)40-10-5-6-12-47(40,43)44)34(42)38-32(16-25-13-28(35)20-29(36)14-25)33(41)22-37-21-24-8-7-9-31(15-24)45-3/h4,7-9,13-15,17-20,32-33,37,41H,1,5-6,10-12,16,21-22H2,2-3H3,(H,38,42)/b39-23-/t32-,33+/m0/s1 AHHZRVFNARGXOU-BJNFDGMPSA-N 50294626 3-{1-[Allyloxyimino]-ethyl}-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide::CHEMBL552744 Beta-secretase 1 Homo sapiens 111 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272378 104136157 CHEMBL552744 ZINC49639700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154348 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1 JEEOUWBWJFSMIP-IOWSJCHKSA-N 15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS5 3L58,2QK5 9916309 46516083 ZINC03965949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154349 CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H38F2N4O6S/c1-23(40-47-3)26-17-27(19-31(18-26)41(48(4,44)45)30-10-6-5-7-11-30)35(43)39-33(16-25-13-28(36)20-29(37)14-25)34(42)22-38-21-24-9-8-12-32(15-24)46-2/h5-15,17-20,33-34,38,42H,16,21-22H2,1-4H3,(H,39,43)/b40-23+/t33-,34+/m0/s1 QSISXEMQSXRVSL-JXIRYUIFSA-N 50294641 CHEMBL539975::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(-1-(methoxyimino)ethyl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16062196 104136172 CHEMBL539975 ZINC49614581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154350 CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O InChI=1S/C30H36F2N4O6S/c1-19(35-42-4)22-13-23(15-26(14-22)36(2)43(5,39)40)30(38)34-28(12-21-9-24(31)16-25(32)10-21)29(37)18-33-17-20-7-6-8-27(11-20)41-3/h6-11,13-16,28-29,33,37H,12,17-18H2,1-5H3,(H,34,38)/b35-19+/t28-,29+/m0/s1 PQYLHOJNCXAHKK-VLCLIKAESA-N 50294633 CHEMBL553612::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(methoxyimino)ethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272383 104136164 CHEMBL553612 ZINC42923435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154351 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C37H40F2N4O6S/c1-5-14-49-42-25(2)28-19-29(21-33(20-28)43(50(4,46)47)32-11-7-6-8-12-32)37(45)41-35(18-27-15-30(38)22-31(39)16-27)36(44)24-40-23-26-10-9-13-34(17-26)48-3/h5-13,15-17,19-22,35-36,40,44H,1,14,18,23-24H2,2-4H3,(H,41,45)/b42-25-/t35-,36+/m0/s1 MZMAATFSWMNCNR-TUDOCBHASA-N 50294643 3-(1-(allyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL557343 Beta-secretase 1 Homo sapiens 162 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272384 104136174 CHEMBL557343 ZINC49650214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154354 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C34H42F2N4O6S/c1-4-11-46-39-23(2)26-17-27(19-30(18-26)40-10-5-6-12-47(40,43)44)34(42)38-32(16-25-13-28(35)20-29(36)14-25)33(41)22-37-21-24-8-7-9-31(15-24)45-3/h7-9,13-15,17-20,32-33,37,41H,4-6,10-12,16,21-22H2,1-3H3,(H,38,42)/b39-23-/t32-,33+/m0/s1 FBEUIWQATNZQON-BJNFDGMPSA-N 50294625 CHEMBL558946::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[propoxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268967 104136156 CHEMBL558946 ZINC49669760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154357 CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H43F2N3O6S/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)50(47,48)33-12-7-6-8-13-33)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-11-32(18-26)49-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1 SUHUZGDMCOOSBZ-MPQUPPDSSA-N 50294651 CHEMBL555436::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(phenylsulfonyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268972 104136182 CHEMBL555436 ZINC49650042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156579 CCCc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccc(OC(F)(F)F)cc1 InChI=1S/C22H23F3N4O/c1-2-5-15-6-3-7-17(14-15)21(19-27-12-4-13-29(19)20(26)28-21)16-8-10-18(11-9-16)30-22(23,24)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,26,28) UZPWRQOCXKHIDG-UHFFFAOYSA-N 50300708 8-(3-propylphenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583887 Beta-secretase 1 Homo sapiens 1430 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11683112 104155069 CHEMBL583887 ZINC38239456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156580 COc1ccc(Cc2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccccc2)cc1 InChI=1S/C26H26N4O/c1-31-23-13-11-19(12-14-23)17-20-7-5-10-22(18-20)26(21-8-3-2-4-9-21)24-28-15-6-16-30(24)25(27)29-26/h2-5,7-14,18H,6,15-17H2,1H3,(H2,27,29) ORUROHUFAQTTIX-UHFFFAOYSA-N 50300728 8-(3-(4-methoxybenzyl)phenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL568506 Beta-secretase 1 Homo sapiens 7100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11618427 104155089 CHEMBL568506 ZINC35943338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156581 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m0/s1 FYQZYBSHWLRFKL-QFIPXVFZSA-N 50300730 (8S)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL567633 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11705108 104155091 CHEMBL567633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156582 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31) FYQZYBSHWLRFKL-UHFFFAOYSA-N 50300725 8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584521 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11510740 104155086 CHEMBL584521 ZINC45245626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156583 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156584 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28) LSPPQVUEXNMTCS-UHFFFAOYSA-N 50300721 8-(4-methoxyphenyl)-8-(3-(pyrimidin-5-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582828 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11711024 104155082 CHEMBL582828 ZINC34635822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156585 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(c1)C(F)(F)F InChI=1S/C19H17F3N4/c20-19(21,22)15-9-4-8-14(12-15)18(13-6-2-1-3-7-13)16-24-10-5-11-26(16)17(23)25-18/h1-4,6-9,12H,5,10-11H2,(H2,23,25) MVTVKWUNLOATLP-UHFFFAOYSA-N 50300731 8-phenyl-8-(3-(trifluoromethyl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL565250 Beta-secretase 1 Homo sapiens 21900 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11544960 104155092 CHEMBL565250 ZINC34659645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156586 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28) LSPPQVUEXNMTCS-UHFFFAOYSA-N 50300721 8-(4-methoxyphenyl)-8-(3-(pyrimidin-5-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582828 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11711024 104155082 CHEMBL582828 ZINC34635822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156587 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156588 COc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 InChI=1S/C19H20N4O/c1-24-16-10-5-9-15(13-16)19(14-7-3-2-4-8-14)17-21-11-6-12-23(17)18(20)22-19/h2-5,7-10,13H,6,11-12H2,1H3,(H2,20,22) XIYBKNUQOILLJU-UHFFFAOYSA-N 50300729 8-(3-methoxyphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL565251 Beta-secretase 1 Homo sapiens 20300 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11493476 104155090 CHEMBL565251 ZINC45245769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156589 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(c1)C(F)(F)F InChI=1S/C19H17F3N4/c20-19(21,22)15-9-4-8-14(12-15)18(13-6-2-1-3-7-13)16-24-10-5-11-26(16)17(23)25-18/h1-4,6-9,12H,5,10-11H2,(H2,23,25) MVTVKWUNLOATLP-UHFFFAOYSA-N 50300731 8-phenyl-8-(3-(trifluoromethyl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL565250 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11544960 104155092 CHEMBL565250 ZINC34659645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156590 COc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 InChI=1S/C19H20N4O/c1-24-16-10-5-9-15(13-16)19(14-7-3-2-4-8-14)17-21-11-6-12-23(17)18(20)22-19/h2-5,7-10,13H,6,11-12H2,1H3,(H2,20,22) XIYBKNUQOILLJU-UHFFFAOYSA-N 50300729 8-(3-methoxyphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL565251 Beta-secretase 1 Homo sapiens 20900 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11493476 104155090 CHEMBL565251 ZINC45245769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156591 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 InChI=1S/C25H23FN4/c26-22-12-10-18(11-13-22)16-19-6-4-9-21(17-19)25(20-7-2-1-3-8-20)23-28-14-5-15-30(23)24(27)29-25/h1-4,6-13,17H,5,14-16H2,(H2,27,29) HNKINZGWDMPNGM-UHFFFAOYSA-N 50300726 8-(3-(4-fluorobenzyl)phenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL567653 Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11553053 104155087 CHEMBL567653 ZINC35794563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156592 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 InChI=1S/C19H16BrF3N4O/c20-14-4-1-3-13(11-14)18(16-25-9-2-10-27(16)17(24)26-18)12-5-7-15(8-6-12)28-19(21,22)23/h1,3-8,11H,2,9-10H2,(H2,24,26) RNTPFGORJAAXJQ-UHFFFAOYSA-N 50300709 8-(3-bromophenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL567654 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478658 104155070 CHEMBL567654 ZINC45245995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156593 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 InChI=1S/C25H23FN4/c26-22-12-10-18(11-13-22)16-19-6-4-9-21(17-19)25(20-7-2-1-3-8-20)23-28-14-5-15-30(23)24(27)29-25/h1-4,6-13,17H,5,14-16H2,(H2,27,29) HNKINZGWDMPNGM-UHFFFAOYSA-N 50300726 8-(3-(4-fluorobenzyl)phenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL567653 Beta-secretase 1 Homo sapiens 8200 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11553053 104155087 CHEMBL567653 ZINC35794563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156594 CC(C)(C)c1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 InChI=1S/C22H26N4/c1-21(2,3)17-11-7-12-18(15-17)22(16-9-5-4-6-10-16)19-24-13-8-14-26(19)20(23)25-22/h4-7,9-12,15H,8,13-14H2,1-3H3,(H2,23,25) ADMMMBVWAVNVKS-UHFFFAOYSA-N 50300723 8-(3-tert-butylphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583213 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478657 104155084 CHEMBL583213 ZINC45319391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156595 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 InChI=1S/C19H16BrF3N4O/c20-14-4-1-3-13(11-14)18(16-25-9-2-10-27(16)17(24)26-18)12-5-7-15(8-6-12)28-19(21,22)23/h1,3-8,11H,2,9-10H2,(H2,24,26) RNTPFGORJAAXJQ-UHFFFAOYSA-N 50300709 8-(3-bromophenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL567654 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478658 104155070 CHEMBL567654 ZINC45245995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156596 CC1(C)CN2C(N)=NC(C2=N1)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C25H21F4N5O/c1-23(2)14-34-21(32-23)24(33-22(34)30,16-8-10-18(11-9-16)35-25(27,28)29)17-6-3-5-15(13-17)19-7-4-12-31-20(19)26/h3-13H,14H2,1-2H3,(H2,30,33) TVENQKPJIUJCEH-UHFFFAOYSA-N 50300724 7-(3-(2-fluoropyridin-3-yl)phenyl)-2,2-dimethyl-7-(4-(trifluoromethoxy)phenyl)-3,7-dihydro-2H-imidazo[1,5-a]imidazol-5-amine::CHEMBL566548 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184935 104155085 CHEMBL566548 ZINC45254026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156597 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccccc2)c1 InChI=1S/C25H24N4/c26-24-28-25(21-12-5-2-6-13-21,23-27-15-8-16-29(23)24)22-14-7-11-20(18-22)17-19-9-3-1-4-10-19/h1-7,9-14,18H,8,15-17H2,(H2,26,28) ZIPALACJMVBMLD-UHFFFAOYSA-N 50300727 8-(3-benzylphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL566977 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11710655 104155088 CHEMBL566977 ZINC34635398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156598 NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m1/s1 FYQZYBSHWLRFKL-JOCHJYFZSA-N 50300732 (8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582045 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11539712 104155093 CHEMBL582045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156599 CC1(C)CN2C(N)=NC(C2=N1)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C25H21F4N5O/c1-23(2)14-34-21(32-23)24(33-22(34)30,16-8-10-18(11-9-16)35-25(27,28)29)17-6-3-5-15(13-17)19-7-4-12-31-20(19)26/h3-13H,14H2,1-2H3,(H2,30,33) TVENQKPJIUJCEH-UHFFFAOYSA-N 50300724 7-(3-(2-fluoropyridin-3-yl)phenyl)-2,2-dimethyl-7-(4-(trifluoromethoxy)phenyl)-3,7-dihydro-2H-imidazo[1,5-a]imidazol-5-amine::CHEMBL566548 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184935 104155085 CHEMBL566548 ZINC45254026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156600 NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m1/s1 FYQZYBSHWLRFKL-JOCHJYFZSA-N 50300732 (8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582045 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11539712 104155093 CHEMBL582045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156601 NC1=NC(C2=NCCCN12)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H20FN5O2/c25-21-18(6-2-9-27-21)15-4-1-5-16(12-15)24(17-7-8-19-20(13-17)32-14-31-19)22-28-10-3-11-30(22)23(26)29-24/h1-2,4-9,12-13H,3,10-11,14H2,(H2,26,29) KRRNBJQBFJHWFJ-UHFFFAOYSA-N 50300718 8-(benzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583608 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478659 104155079 CHEMBL583608 ZINC45320316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156602 NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m1/s1 OPSMDCTXTURNQW-HSZRJFAPSA-N 50300733 (8R)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL576258 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11532880 104155094 CHEMBL576258 ZINC35998746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156603 NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C26H23F4N5O/c27-22-21(8-5-14-32-22)17-6-4-7-19(16-17)25(18-9-11-20(12-10-18)36-26(28,29)30)23-33-13-2-1-3-15-35(23)24(31)34-25/h4-12,14,16H,1-3,13,15H2,(H2,31,34)/b33-23- UFMYOISPMQWRNH-SNCSUOKWSA-N 50300712 10-(3-(2-fluoropyridin-3-yl)phenyl)-10-(4-(trifluoromethoxy)phenyl)-2,3,4,5,6,10-hexahydroimidazo[1,5-a][1,3]diazocin-8-amine::CHEMBL568960 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184934 104155073 CHEMBL568960 ZINC45257242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156604 NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H17F4N5O/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-30-11-12-32(20)21(28)31-22)15-6-8-17(9-7-15)33-23(25,26)27/h1-10,13H,11-12H2,(H2,28,31) ZASDNILYUCOUST-UHFFFAOYSA-N 50300714 7-(3-(2-fluoropyridin-3-yl)phenyl)-7-(4-(trifluoromethoxy)phenyl)-3,7-dihydro-2H-imidazo[1,5-a]imidazol-5-amine::CHEMBL566112 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25184937 104155075 CHEMBL566112 ZINC45246059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156605 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31) FYQZYBSHWLRFKL-UHFFFAOYSA-N 50300725 8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL584521 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11510740 104155086 CHEMBL584521 ZINC45245626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156606 CCCc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccc(OC(F)(F)F)cc1 InChI=1S/C22H23F3N4O/c1-2-5-15-6-3-7-17(14-15)21(19-27-12-4-13-29(19)20(26)28-21)16-8-10-18(11-9-16)30-22(23,24)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,26,28) UZPWRQOCXKHIDG-UHFFFAOYSA-N 50300708 8-(3-propylphenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL583887 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11683112 104155069 CHEMBL583887 ZINC38239456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156607 NC1=NC(C2=NCCCN12)(c1cccc(c1)-c1cccnc1F)c1ccc2OCCOc2c1 InChI=1S/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30) WDVQMWDSGDTYIB-UHFFFAOYSA-N 50300717 8-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL566968 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478390 104155078 CHEMBL566968 ZINC45245271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156608 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156609 NC1=NC(C2=NCCCN12)(c1ccc2OC(F)(F)Oc2c1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H18F3N5O2/c25-20-17(6-2-9-29-20)14-4-1-5-15(12-14)23(21-30-10-3-11-32(21)22(28)31-23)16-7-8-18-19(13-16)34-24(26,27)33-18/h1-2,4-9,12-13H,3,10-11H2,(H2,28,31) MMUYGEDDWAWBAB-UHFFFAOYSA-N 50300716 8-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL566969 Beta-secretase 1 Homo sapiens 740 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478660 104155077 CHEMBL566969 ZINC45245378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156610 COc1ccc(Cc2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccccc2)cc1 InChI=1S/C26H26N4O/c1-31-23-13-11-19(12-14-23)17-20-7-5-10-22(18-20)26(21-8-3-2-4-9-21)24-28-15-6-16-30(24)25(27)29-26/h2-5,7-14,18H,6,15-17H2,1H3,(H2,27,29) ORUROHUFAQTTIX-UHFFFAOYSA-N 50300728 8-(3-(4-methoxybenzyl)phenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL568506 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11618427 104155089 CHEMBL568506 ZINC35943338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156611 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m0/s1 FYQZYBSHWLRFKL-QFIPXVFZSA-N 50300730 (8S)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL567633 Beta-secretase 1 Homo sapiens 2560 ChEMBL 10.1021/jm9006752 10.7270/Q2Z89CHR 19757823 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Johnson, M; Hui, Y; Turner, J; Hu, Y; Wagner, E; Fan, K; Olland, A; Bard, J; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11705108 104155091 CHEMBL567633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156704 COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1cn(C)c(N)n1 InChI=1S/C20H20F3N3O/c1-26-12-18(25-19(26)24)17(14-5-9-16(27-2)10-6-14)11-13-3-7-15(8-4-13)20(21,22)23/h3-10,12,17H,11H2,1-2H3,(H2,24,25) DVSAFYDQSGWQHQ-UHFFFAOYSA-N 50301214 4-(1-(4-methoxyphenyl)-2-(4-(trifluoromethyl)phenyl)ethyl)-1-methyl-1H-imidazol-2-amine::CHEMBL567718 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2009.07.071 10.7270/Q2Z31ZP8 19640712 Hills, ID; Holloway, MK; de Leon, P; Nomland, A; Zhu, H; Rajapakse, H; Allison, TJ; Munshi, SK; Colussi, D; Pietrak, BL; Toolan, D; Haugabook, SJ; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50301214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50301214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44218508 104155575 CHEMBL567718 ZINC45261090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156705 COC1=CC2CCC(Cc3cc(ccc3OC)[N+]([O-])=O)(C2C=C1)c1cn(C)c(N)n1 InChI=1S/C22H26N4O4/c1-25-13-20(24-21(25)23)22(9-8-14-11-17(29-2)5-6-18(14)22)12-15-10-16(26(27)28)4-7-19(15)30-3/h4-7,10-11,13-14,18H,8-9,12H2,1-3H3,(H2,23,24) WYGAYLIPQHONKL-UHFFFAOYSA-N 50301215 4-(5-methoxy-1-(2-methoxy-5-nitrobenzyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-methyl-1H-imidazol-2-amine::CHEMBL568557 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2009.07.071 10.7270/Q2Z31ZP8 19640712 Hills, ID; Holloway, MK; de Leon, P; Nomland, A; Zhu, H; Rajapakse, H; Allison, TJ; Munshi, SK; Colussi, D; Pietrak, BL; Toolan, D; Haugabook, SJ; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50301215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50301215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487457 104155576 CHEMBL568557 ZINC45256540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156706 COC1=CC2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 InChI=1S/C22H24F3N3O/c1-28-13-19(27-20(28)26)21(10-9-15-11-17(29-2)7-8-18(15)21)12-14-3-5-16(6-4-14)22(23,24)25/h3-8,11,13,15,18H,9-10,12H2,1-2H3,(H2,26,27) FDWHRNRDGMYDCB-UHFFFAOYSA-N 50301216 4-(5-methoxy-1-(4-(trifluoromethyl)benzyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-methyl-1H-imidazol-2-amine::CHEMBL566463 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2009.07.071 10.7270/Q2Z31ZP8 19640712 Hills, ID; Holloway, MK; de Leon, P; Nomland, A; Zhu, H; Rajapakse, H; Allison, TJ; Munshi, SK; Colussi, D; Pietrak, BL; Toolan, D; Haugabook, SJ; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50301216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50301216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487484 104155577 CHEMBL566463 ZINC45245463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156707 COC1=C(F)C2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 InChI=1S/C22H23F4N3O/c1-29-12-18(28-20(29)27)21(11-13-3-5-14(6-4-13)22(24,25)26)10-9-15-16(21)7-8-17(30-2)19(15)23/h3-8,12,15-16H,9-11H2,1-2H3,(H2,27,28) WWWWZFLJGIDVFC-UHFFFAOYSA-N 50301217 4-(4-fluoro-5-methoxy-1-(4-(trifluoromethyl)benzyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-methyl-1H-imidazol-2-amine::CHEMBL582982 Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1016/j.bmcl.2009.07.071 10.7270/Q2Z31ZP8 19640712 Hills, ID; Holloway, MK; de Leon, P; Nomland, A; Zhu, H; Rajapakse, H; Allison, TJ; Munshi, SK; Colussi, D; Pietrak, BL; Toolan, D; Haugabook, SJ; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50301217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50301217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487485 104155578 CHEMBL582982 ZINC45317429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156708 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1 InChI=1S/C20H22N4O4/c1-23-12-18(22-20(23)21)17(13-4-7-16(27-2)8-5-13)11-14-10-15(24(25)26)6-9-19(14)28-3/h4-10,12,17H,11H2,1-3H3,(H2,21,22) LWIYEMOOCOORBX-UHFFFAOYSA-N 50258280 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1-methyl-1H-imidazol-2-amine::CHEMBL494186 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2009.07.071 10.7270/Q2Z31ZP8 19640712 Hills, ID; Holloway, MK; de Leon, P; Nomland, A; Zhu, H; Rajapakse, H; Allison, TJ; Munshi, SK; Colussi, D; Pietrak, BL; Toolan, D; Haugabook, SJ; Graham, SL; Stachel, SJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219272 104109023 CHEMBL494186 ZINC40429825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152288 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C31H52N4O8S/c1-19(2)15-23(33-28(38)24(18-44(9,41)42)34-30(40)43-31(6,7)8)25(36)16-21(5)27(37)35-26(20(3)4)29(39)32-17-22-13-11-10-12-14-22/h10-14,19-21,23-26,36H,15-18H2,1-9H3,(H,32,39)(H,33,38)(H,34,40)(H,35,37)/t21-,23+,24+,25+,26+/m1/s1 XLXYOWSUVOIWNA-KAPZOZIZSA-N 16775 CHEMBL273916::Substrate-based BACE-1 inhibitor, 14::tert-butyl N-[(1R)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate Beta-secretase 1 Homo sapiens 1129 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10908388 46516534 CHEMBL273916 ZINC10339593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152289 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H60N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h8,10-13,15-16,23-26,28-30,32-33,45H,9,14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/b13-8+/t26-,28+,29+,30+,32+,33+/m1/s1 WHCHQGASEMPGEU-IZVUNNRLSA-N 16270 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S,12E)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadec-12-en-7-yl]formamido}octanamide::CHEMBL182892::amide-urethane derived inhibitor 3c Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918820 46516344 CHEMBL182892 ZINC28350055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152290 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C36H57N7O11/c1-18(2)14-24(41-34(51)25(17-28(37)45)42-35(52)30(38)19(3)4)27(44)15-20(5)31(48)39-21(6)32(49)40-23(12-13-29(46)47)33(50)43-26(36(53)54)16-22-10-8-7-9-11-22/h7-11,18-21,23-27,30,44H,12-17,38H2,1-6H3,(H2,37,45)(H,39,48)(H,40,49)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,53,54)/t20-,21+,23+,24+,25+,26+,27+,30+/m1/s1 QLXGCRQIMMFYJL-RJVRHGFWSA-N 16772 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL509188::OM99-1::Val-Asn-LeuAla-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 9.6 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918517 46516530 CHEMBL509188 ZINC95613651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152291 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C34H65N5O7S/c1-19(2)16-25(26(40)17-23(9)29(41)38-27(21(5)6)31(43)35-18-20(3)4)37-30(42)24(14-15-47-13)36-32(44)28(22(7)8)39-33(45)46-34(10,11)12/h19-28,40H,14-18H2,1-13H3,(H,35,43)(H,36,44)(H,37,42)(H,38,41)(H,39,45)/t23-,24+,25+,26+,27+,28+/m1/s1 ZMUJLPMFGFHYOY-JVACCQEYSA-N 50267285 CHEMBL445804::tert-butyl (6S,9R,11S,12S,15S,18S)-11-hydroxy-12-isobutyl-6-isopropyl-2,9,19-trimethyl-15-(2-(methylthio)ethyl)-5,8,14,17-tetraoxo-4,7,13,16-tetraazaicosan-18-ylcarbamate Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44582543 104114181 CHEMBL445804 ZINC49833015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152292 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1 OFAZWNGNAATRSH-GWCXRDAXSA-N 16253 (3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate::CHEMBL448008::N2-[(2R,4S,5S)-5-{[N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide::pyrazole-bearing inhibitor 5 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZPQ 2G94 6540293 46509499 CHEMBL448008 ZINC24805568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152293 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C InChI=1S/C30H53N5O9S/c1-16(2)11-22(25(36)12-19(7)27(37)35-26(18(5)6)29(39)31-13-17(3)4)33-28(38)24(15-45(10,41)42)34-30(40)43-14-23-20(8)44-21(9)32-23/h16-19,22,24-26,36H,11-15H2,1-10H3,(H,31,39)(H,33,38)(H,34,40)(H,35,37)/t19-,22+,24+,25+,26+/m1/s1 UDROXIDKAFGJQP-ACAMQMCKSA-N 16254 (2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate::CHEMBL449300::N2-[(2R,4S,5S)-5-{[N-{[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide::oxazolylmethyl-bearing inhibitor 6 Beta-secretase 1 Homo sapiens 0.120000 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11498384 46516314 CHEMBL449300 ZINC49841211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152294 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm900064c 10.7270/Q2KS6RF1 19323561 Ghosh, AK Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155591 CC(C)[C@H](NC(=O)C(C)CP(O)(O)C1=NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCCC1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H62N7O16P/c1-22(2)34(40(60)44-27(16-18-32(51)52)38(58)46-29(41(61)62)19-24-11-7-6-8-12-24)48-35(55)23(3)21-65(63,64)30-14-10-5-4-9-13-26(43-36(56)25(42)15-17-31(49)50)37(57)45-28(20-33(53)54)39(59)47-30/h6-8,11-12,22-23,25-29,34,63-65H,4-5,9-10,13-21,42H2,1-3H3,(H,43,56)(H,44,60)(H,45,57)(H,46,58)(H,48,55)(H,49,50)(H,51,52)(H,53,54)(H,61,62)/t23?,25-,26-,27-,28-,29-,34-/m0/s1 YOSWIWYXSXKFDO-MCUWFNCKSA-N 50297712 (S)-4-Amino-4-{(3S,6S)-13-[(2-{(S)-1-[(S)-3-carboxy-1-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-propylcarbamoyl]-2-methyl-propylcarbamoyl}-propyl)-hydroxy-phosphinoyl]-3-carboxymethyl-2,5-dioxo-1,4diaza-cyclotridec-6-ylcarbamoyl}-butyric acid::CHEMBL556143 Beta-secretase 1 Homo sapiens 522 ChEMBL 10.1016/j.bmcl.2009.05.053 10.7270/Q2RF5V22 19523824 Huber, T; Manzenrieder, F; Kuttruff, CA; Dorner-Ciossek, C; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91934440 104139243 CHEMBL556143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155592 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)P(O)(=O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H68N7O16P/c1-22(2)17-29(46-38(58)27(44)13-15-33(51)52)40(60)47-30(20-35(55)56)41(61)49-32(18-23(3)4)67(65,66)21-25(7)37(57)50-36(24(5)6)42(62)45-28(14-16-34(53)54)39(59)48-31(43(63)64)19-26-11-9-8-10-12-26/h8-12,22-25,27-32,36H,13-21,44H2,1-7H3,(H,45,62)(H,46,58)(H,47,60)(H,48,59)(H,49,61)(H,50,57)(H,51,52)(H,53,54)(H,55,56)(H,63,64)(H,65,66)/t25-,27+,28+,29+,30+,31+,32-,36+/m1/s1 VTXVJJPVSDWYLH-LBDXKWKSSA-N 50297711 (4S)-4-[(2S)-2-[(2S)-3-{[(1R)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-methylbutyl](hydroxy)phosphoryl}-2-methylpropanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL538647 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2009.05.053 10.7270/Q2RF5V22 19523824 Huber, T; Manzenrieder, F; Kuttruff, CA; Dorner-Ciossek, C; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269491 104139242 CHEMBL538647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155593 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1 CFIWWTUUSMMDDA-IQRKPKHNSA-N 50210579 (2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benzyl-5-(2-carboxyethyl)-17-(carboxymethyl)-13-hydroxy-14,20-diisobutyl-8-isopropyl-11-methyl-4,7,10,16,19,22-hexaoxo-3,6,9,15,18,21-hexaazahexacosane-1,26-dioic acid::CHEMBL390456::OM00-3 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2009.05.053 10.7270/Q2RF5V22 19523824 Huber, T; Manzenrieder, F; Kuttruff, CA; Dorner-Ciossek, C; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 447068 104087082 CHEMBL390456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155629 CC(C)[C@H](NC(=O)CCC(O)(CCc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C42H50FN5O7S/c1-28(2)38(40(51)44-27-31-14-10-7-11-15-31)47-37(49)21-23-42(53,22-20-30-12-8-6-9-13-30)41(52)46-35-24-33(25-36(26-35)48(4)56(5,54)55)39(50)45-29(3)32-16-18-34(43)19-17-32/h6-19,24-26,28-29,38,53H,20-23,27H2,1-5H3,(H,44,51)(H,45,50)(H,46,52)(H,47,49)/t29-,38+,42?/m1/s1 QPJTWJJNHNQFTH-PWUMAZPOSA-N 50297926 2-Hydroxy-2-phenethyl-pentanedioic acid 5-[((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide]1-{[3-[(R)-1-(4-fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenyl]-amide}::CHEMBL539396 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268589 104139457 CHEMBL539396 ZINC96307622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155630 CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C42H48FN5O9S/c1-26(2)37(39(51)44-25-29-11-13-31(14-12-29)40(52)53)47-36(49)19-20-42(55,24-28-9-7-6-8-10-28)41(54)46-34-21-32(22-35(23-34)48(4)58(5,56)57)38(50)45-27(3)30-15-17-33(43)18-16-30/h6-18,21-23,26-27,37,55H,19-20,24-25H2,1-5H3,(H,44,51)(H,45,50)(H,46,54)(H,47,49)(H,52,53)/t27-,37+,42?/m1/s1 AWVUSGVXGSCEMQ-ZFHGVCKOSA-N 50297930 4-[((S)-2-{4-[3-[(R)-1-(4-Fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenylcarbamoyl]-4-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL541484 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271107 104139461 CHEMBL541484 ZINC96307630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155631 C[C@@H](NC(=O)c1cc(NC(=O)CC[C@@](O)(Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H42N4O7S/c1-25(27-14-8-5-9-15-27)39-36(45)29-20-30(23-31(21-29)42(2)50(3,48)49)40-34(44)18-19-38(47,24-26-12-6-4-7-13-26)37(46)41-35-32-17-11-10-16-28(32)22-33(35)43/h4-17,20-21,23,25,33,35,43,47H,18-19,22,24H2,1-3H3,(H,39,45)(H,40,44)(H,41,46)/t25-,33-,35+,38-/m1/s1 FDXVDUYPLMZFSW-SUMVERIOSA-N 50297932 (R)-2-Benzyl-2-hydroxy-pentanedioic acid 1-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]5-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl]-amide}::CHEMBL541485 Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271108 104139463 CHEMBL541485 ZINC84840419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155632 CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C41H48FN5O7S/c1-27(2)37(39(50)43-26-30-14-10-7-11-15-30)46-36(48)20-21-41(52,25-29-12-8-6-9-13-29)40(51)45-34-22-32(23-35(24-34)47(4)55(5,53)54)38(49)44-28(3)31-16-18-33(42)19-17-31/h6-19,22-24,27-28,37,52H,20-21,25-26H2,1-5H3,(H,43,50)(H,44,49)(H,45,51)(H,46,48)/t28-,37+,41?/m1/s1 ULYMROMDTFMTSD-BWHBYVTHSA-N 50297925 2-Benzyl-2-hydroxy-pentanedioic acid 5-[((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide]1-{[3-[(R)-1-(4-fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenyl]-amide}::CHEMBL555054 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271106 104139456 CHEMBL555054 ZINC96307620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155633 CC(C)[C@H](NC(=O)C(O)(CCC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)CCc1ccccc1)C(=O)NCc1ccccc1 InChI=1S/C42H51N5O7S/c1-29(2)38(40(50)43-28-32-17-11-7-12-18-32)46-41(51)42(52,23-21-31-15-9-6-10-16-31)24-22-37(48)45-35-25-34(26-36(27-35)47(4)55(5,53)54)39(49)44-30(3)33-19-13-8-14-20-33/h6-20,25-27,29-30,38,52H,21-24,28H2,1-5H3,(H,43,50)(H,44,49)(H,45,48)(H,46,51)/t30-,38+,42?/m1/s1 VPNFLFYVDJVHQX-LYQFVSHOSA-N 50297935 2-Hydroxy-2-phenethyl-pentanedioic acid 1-[((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide]5-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl]-amide}::CHEMBL541999 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270282 104139466 CHEMBL541999 ZINC96307635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155634 COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1 InChI=1S/C43H50FN5O9S/c1-27(2)38(40(52)45-26-30-12-14-32(15-13-30)41(53)58-5)48-37(50)20-21-43(55,25-29-10-8-7-9-11-29)42(54)47-35-22-33(23-36(24-35)49(4)59(6,56)57)39(51)46-28(3)31-16-18-34(44)19-17-31/h7-19,22-24,27-28,38,55H,20-21,25-26H2,1-6H3,(H,45,52)(H,46,51)(H,47,54)(H,48,50)/t28-,38+,43?/m1/s1 VKTFZAPICJAFFH-HWDPRNOASA-N 50297928 4-[((S)-2-{4-[3-[(R)-1-(4-Fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenylcarbamoyl]-4-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid methyl ester::CHEMBL557096 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270281 104139459 CHEMBL557096 ZINC96307626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155635 COC(=O)c1ccc(NC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1 InChI=1S/C42H48FN5O9S/c1-26(2)37(39(51)45-33-18-14-30(15-19-33)40(52)57-5)47-36(49)20-21-42(54,25-28-10-8-7-9-11-28)41(53)46-34-22-31(23-35(24-34)48(4)58(6,55)56)38(50)44-27(3)29-12-16-32(43)17-13-29/h7-19,22-24,26-27,37,54H,20-21,25H2,1-6H3,(H,44,50)(H,45,51)(H,46,53)(H,47,49)/t27-,37+,42?/m1/s1 AHTYFIFCTULFRB-ZFHGVCKOSA-N 50297929 4-((S)-2-{4-[3-[(R)-1-(4-Fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenylcarbamoyl]-4-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-benzoic acid methyl ester::CHEMBL556529 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269443 104139460 CHEMBL556529 ZINC96307628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155636 C[C@@H](NC(=O)c1cc(NC(=O)C(O)(CCC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C38H41FN4O7S/c1-24(26-13-15-29(39)16-14-26)40-36(46)28-19-30(22-31(20-28)43(2)51(3,49)50)41-37(47)38(48,23-25-9-5-4-6-10-25)18-17-34(45)42-35-32-12-8-7-11-27(32)21-33(35)44/h4-16,19-20,22,24,33,35,44,48H,17-18,21,23H2,1-3H3,(H,40,46)(H,41,47)(H,42,45)/t24-,33-,35+,38?/m1/s1 HXYWBBUDWDMDQX-DCZFCTGFSA-N 50297938 2-Benzyl-2-hydroxy-pentanedioic acid 1-{[3-[(R)-1-(4-fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenyl]-amide}5-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]::CHEMBL558760 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272821 104139469 CHEMBL558760 ZINC96307639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155637 CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O InChI=1S/C41H46FN5O9S/c1-25(2)36(38(50)44-32-17-13-29(14-18-32)39(51)52)46-35(48)19-20-41(54,24-27-9-7-6-8-10-27)40(53)45-33-21-30(22-34(23-33)47(4)57(5,55)56)37(49)43-26(3)28-11-15-31(42)16-12-28/h6-18,21-23,25-26,36,54H,19-20,24H2,1-5H3,(H,43,49)(H,44,50)(H,45,53)(H,46,48)(H,51,52)/t26-,36+,41?/m1/s1 WZMBMXOWHKTSMJ-VLGOHAJISA-N 50297931 4-((S)-2-{4-[3-[(R)-1-(4-Fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenylcarbamoyl]-4-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-benzoic acid::CHEMBL553653 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273773 104139462 CHEMBL553653 ZINC96307632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155638 CC(C)[C@H](NC(=O)C(O)(CCC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)CCc1ccccc1)C(=O)Nc1ccccc1 InChI=1S/C41H49N5O7S/c1-28(2)37(39(49)44-33-19-13-8-14-20-33)45-40(50)41(51,23-21-30-15-9-6-10-16-30)24-22-36(47)43-34-25-32(26-35(27-34)46(4)54(5,52)53)38(48)42-29(3)31-17-11-7-12-18-31/h6-20,25-29,37,51H,21-24H2,1-5H3,(H,42,48)(H,43,47)(H,44,49)(H,45,50)/t29-,37+,41?/m1/s1 ABXPXXXDZPDMFT-BIKMQQNJSA-N 50297936 2-Hydroxy-2-phenethyl-pentanedioic acid 5-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl]-amide}1-[((S)-2-methyl-1-phenylcarbamoyl-propyl)-amide]::CHEMBL540414 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44517765 104139467 CHEMBL540414 ZINC96307637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155639 C[C@@H](NC(=O)c1cc(NC(=O)CC[C@](O)(Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H42N4O7S/c1-25(27-14-8-5-9-15-27)39-36(45)29-20-30(23-31(21-29)42(2)50(3,48)49)40-34(44)18-19-38(47,24-26-12-6-4-7-13-26)37(46)41-35-32-17-11-10-16-28(32)22-33(35)43/h4-17,20-21,23,25,33,35,43,47H,18-19,22,24H2,1-3H3,(H,39,45)(H,40,44)(H,41,46)/t25-,33-,35+,38+/m1/s1 FDXVDUYPLMZFSW-WCRCCQJKSA-N 50297933 (S)-2-Benzyl-2-hydroxy-pentanedioic acid 1-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]5-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl]-amide}::CHEMBL539397 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268590 104139464 CHEMBL539397 ZINC84549180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155640 CC(C)[C@H](NC(=O)CCC(O)(CCc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C42H51N5O7S/c1-29(2)38(40(50)43-28-32-17-11-7-12-18-32)46-37(48)22-24-42(52,23-21-31-15-9-6-10-16-31)41(51)45-35-25-34(26-36(27-35)47(4)55(5,53)54)39(49)44-30(3)33-19-13-8-14-20-33/h6-20,25-27,29-30,38,52H,21-24,28H2,1-5H3,(H,43,50)(H,44,49)(H,45,51)(H,46,48)/t30-,38+,42?/m1/s1 NCCFVPRKIDQFJO-LYQFVSHOSA-N 50297927 2-Hydroxy-2-phenethyl-pentanedioic acid 5-[((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide]1-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl]-amide}::CHEMBL557127 Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273772 104139458 CHEMBL557127 ZINC96307624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50155641 C[C@@H](NC(=O)c1cc(NC(=O)CCC(O)(CCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C39H44N4O7S/c1-26(28-14-8-5-9-15-28)40-37(46)30-22-31(25-32(23-30)43(2)51(3,49)50)41-35(45)19-21-39(48,20-18-27-12-6-4-7-13-27)38(47)42-36-33-17-11-10-16-29(33)24-34(36)44/h4-17,22-23,25-26,34,36,44,48H,18-21,24H2,1-3H3,(H,40,46)(H,41,45)(H,42,47)/t26-,34-,36+,39?/m1/s1 XQNJAMRLHRQUHB-MLGXSISHSA-N 50297934 2-Hydroxy-2-phenethyl-pentanedioic acid 1-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]5-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl] -amide}::2-Hydroxy-2-phenethyl-pentanedioic acid 1-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]5-{[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-phenyl]-amide}::CHEMBL554781 Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2009.06.065 10.7270/Q2B8585X 19576765 Wangsell, F; Russo, F; Savmarker, J; Rosenquist, A; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50297934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50297934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44517766 104139465 CHEMBL554781 ZINC96307633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152454 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H28BrFN8O5/c34-22-15-26(37-27(16-22)33(47)43-18-48-17-28(43)20-9-11-23(35)12-10-20)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 UVGZTJXPFSPHQY-OYFGVDPJSA-N 50277598 CHEMBL453211::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-bromo-6-((S)-4-(4-fluorophenyl)oxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591550 104120150 CHEMBL453211 ZINC49841549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152455 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H28FIN8O5/c34-22-11-9-20(10-12-22)28-17-48-18-43(28)33(47)27-16-23(35)15-26(37-27)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 CNPPSYRJSKDYBM-OYFGVDPJSA-N 50277599 CHEMBL507541::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-6-((S)-4-(4-fluorophenyl)oxazolidine-3-carbonyl)-4-iodopicolinamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591551 104120151 CHEMBL507541 ZINC95615740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152456 CS(=O)(=O)Oc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H32N8O8S/c1-51(47,48)50-25-17-27(36-28(18-25)34(46)42-20-49-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 UVCVQGLBIJRFPT-DEIHTGSNSA-N 50234646 2-(((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)carbamoyl)-6-((S)-4-phenyloxazolidine-3-carbonyl)pyridin-4-yl methanesulfonate::2-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylcarbamoyl)-6-((S)-4-phenyloxazolidine-3-carbonyl)pyridin-4-yl methanesulfonate::CHEMBL399840 Beta-secretase 1 Homo sapiens 96 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25166287 104055975 CHEMBL399840 ZINC29039579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152457 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29ClN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 FJEOSITYEZCOMQ-OYFGVDPJSA-N 50277594 CHEMBL448015::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-chloro-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591546 104120146 CHEMBL448015 ZINC49833334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152458 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H30N8O5/c42-29(32(44)34-24-14-7-13-23(18-24)30-37-39-40-38-30)27(17-21-9-3-1-4-10-21)36-31(43)25-15-8-16-26(35-25)33(45)41-20-46-19-28(41)22-11-5-2-6-12-22/h1-16,18,27-29,42H,17,19-20H2,(H,34,44)(H,36,43)(H,37,38,39,40)/t27-,28+,29-/m0/s1 RTGUYCLJFBOMBE-NHKHRBQYSA-N 50234643 CHEMBL399839::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25166288 104055972 CHEMBL399839 ZINC29039576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152459 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29BrN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 VJRDPWORFMXZOD-OYFGVDPJSA-N 50277595 CHEMBL445281::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-bromo-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591547 104120147 CHEMBL445281 ZINC49823097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152460 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29IN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 FZSSGIILDGKZIA-OYFGVDPJSA-N 50277596 CHEMBL504917::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-iodo-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591548 104120148 CHEMBL504917 ZINC95615793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152461 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(=O)cc(o1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29N7O7/c41-24-16-27(47-28(17-24)33(45)40-19-46-18-26(40)21-10-5-2-6-11-21)31(43)35-25(14-20-8-3-1-4-9-20)29(42)32(44)34-23-13-7-12-22(15-23)30-36-38-39-37-30/h1-13,15-17,25-26,29,42H,14,18-19H2,(H,34,44)(H,35,43)(H,36,37,38,39)/t25-,26+,29-/m0/s1 VVYIBMDIDAIBLH-HFASVGIHSA-N 50234644 CHEMBL400043::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-oxo-6-((S)-4-phenyloxazolidine-3-carbonyl)-4H-pyran-2-carboxamide Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25008964 104055973 CHEMBL400043 ZINC29039586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152462 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H28ClFN8O5/c34-22-15-26(37-27(16-22)33(47)43-18-48-17-28(43)20-9-11-23(35)12-10-20)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 UVDIEGWQUNXUPW-OYFGVDPJSA-N 50277597 CHEMBL501242::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-chloro-6-((S)-4-(4-fluorophenyl)oxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591549 104120149 CHEMBL501242 ZINC49889325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152463 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H30N8O6/c42-24-16-26(35-27(17-24)33(46)41-19-47-18-28(41)21-10-5-2-6-11-21)31(44)36-25(14-20-8-3-1-4-9-20)29(43)32(45)34-23-13-7-12-22(15-23)30-37-39-40-38-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,34,45)(H,35,42)(H,36,44)(H,37,38,39,40)/t25-,28+,29-/m0/s1 NORLMBBEWXGLPH-OYFGVDPJSA-N 50234645 CHEMBL253865::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-oxo-6-((S)-4-phenyloxazolidine-3-carbonyl)-1,4-dihydropyridine-2-carboxamide Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2009.03.049 10.7270/Q27D2V1G 19345096 Hamada, Y; Ohta, H; Miyamoto, N; Sarma, D; Hamada, T; Nakanishi, T; Yamasaki, M; Yamani, A; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25166485 104055974 CHEMBL253865 ZINC29039583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151401 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 InChI=1S/C38H49N5O6/c1-3-19-42(20-4-2)38(47)32-24-31(25-33(26-32)43(48)49)36(45)40-34(23-29-11-7-5-8-12-29)35(44)37(46)39-18-15-28-16-21-41(22-17-28)27-30-13-9-6-10-14-30/h5-14,24-26,28,34-35,44H,3-4,15-23,27H2,1-2H3,(H,39,46)(H,40,45)/t34-,35?/m0/s1 ZOVXBMODXBZWHZ-SFCXHYMASA-N 50276551 CHEMBL448678::N-{[2S,3(R,S)]-2-[4-(1-Benzylpiperidin-4-yl)]ethylcarbamoyl-3-hydroxy-1-phenylbut-2-yl}-N',N'-dipropyl-5-nitroisophthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590660 104119663 CHEMBL448678 ZINC49833343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151405 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C40H49N5O5S/c1-29(32-17-11-6-12-18-32)42-39(47)33-24-34(26-36(25-33)44(2)51(3,49)50)40(48)43-37(23-30-13-7-4-8-14-30)38(46)27-41-35-19-21-45(22-20-35)28-31-15-9-5-10-16-31/h4-18,24-26,29,35,37-38,41,46H,19-23,27-28H2,1-3H3,(H,42,47)(H,43,48)/t29-,37+,38-/m1/s1 NQGQLKZLDUJDEA-NOWQQFBNSA-N 50276552 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL502172 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590661 104119664 CHEMBL502172 ZINC49888781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151406 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1 InChI=1S/C36H45N5O6/c1-3-17-40(18-4-2)36(45)29-22-28(23-31(24-29)41(46)47)34(43)38-32(21-26-11-7-5-8-12-26)33(42)35(44)37-30-15-19-39(20-16-30)25-27-13-9-6-10-14-27/h5-14,22-24,30,32-33,42H,3-4,15-21,25H2,1-2H3,(H,37,44)(H,38,43)/t32-,33?/m0/s1 ZKNVIQQBCSYASM-JEFWXSHNSA-N 50025102 CHEMBL505749 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590658 277286555 CHEMBL505749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151407 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1 InChI=1S/C37H47N5O6/c1-3-17-41(18-4-2)37(46)31-22-30(23-32(24-31)42(47)48)35(44)39-33(21-27-11-7-5-8-12-27)34(43)36(45)38-25-28-15-19-40(20-16-28)26-29-13-9-6-10-14-29/h5-14,22-24,28,33-34,43H,3-4,15-21,25-26H2,1-2H3,(H,38,45)(H,39,44)/t33-,34?/m0/s1 XCNHAIOHLRKIMV-CDRRMRQFSA-N 50025101 CHEMBL505994 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590659 277286554 CHEMBL505994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151408 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C40H48FN5O5S/c1-28(31-14-16-34(41)17-15-31)43-39(48)32-23-33(25-36(24-32)45(2)52(3,50)51)40(49)44-37(22-29-10-6-4-7-11-29)38(47)26-42-35-18-20-46(21-19-35)27-30-12-8-5-9-13-30/h4-17,23-25,28,35,37-38,42,47H,18-22,26-27H2,1-3H3,(H,43,48)(H,44,49)/t28-,37+,38-/m1/s1 ZZGLTXNPJZVYPI-KNXHFOKOSA-N 50276555 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide::CHEMBL502647 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590662 104119667 CHEMBL502647 ZINC49889549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151409 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C41H50FN5O5S/c1-29(33-14-16-36(42)17-15-33)44-40(49)34-23-35(25-37(24-34)46(2)53(3,51)52)41(50)45-38(22-30-10-6-4-7-11-30)39(48)27-43-26-31-18-20-47(21-19-31)28-32-12-8-5-9-13-32/h4-17,23-25,29,31,38-39,43,48H,18-22,26-28H2,1-3H3,(H,44,49)(H,45,50)/t29-,38+,39-/m1/s1 UALACBUTVHAKIU-VSVILQIWSA-N 50276556 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)methylamino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide::CHEMBL445960 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197119 104119668 CHEMBL445960 ZINC49823199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151410 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C41H51N5O5S/c1-30(34-17-11-6-12-18-34)43-40(48)35-24-36(26-37(25-35)45(2)52(3,50)51)41(49)44-38(23-31-13-7-4-8-14-31)39(47)28-42-27-32-19-21-46(22-20-32)29-33-15-9-5-10-16-33/h4-18,24-26,30,32,38-39,42,47H,19-23,27-29H2,1-3H3,(H,43,48)(H,44,49)/t30-,38+,39-/m1/s1 YUBOSJOKXBRQQG-UYQVSLPBSA-N 50276553 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)methylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL499686 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197118 104119665 CHEMBL499686 ZINC49889576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151411 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1 IMNAYTZSJCRZIO-RLRCJDGOSA-N 50276554 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL510269 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0U4 4FCO 44123817 104119666 CHEMBL510269 ZINC49899465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151412 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NN1CCN(Cc2ccccc2)CC1 InChI=1S/C39H53FN6O6S/c1-26(2)20-35(36(47)21-27(3)37(48)43-46-18-16-45(17-19-46)25-29-10-8-7-9-11-29)42-39(50)32-22-31(23-34(24-32)44(5)53(6,51)52)38(49)41-28(4)30-12-14-33(40)15-13-30/h7-15,22-24,26-28,35-36,47H,16-21,25H2,1-6H3,(H,41,49)(H,42,50)(H,43,48)/t27-,28-,35+,36+/m1/s1 UMKZPAWELBKBDK-SFSFMBGESA-N 50025100 CHEMBL449152 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590652 277286553 CHEMBL449152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151413 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 InChI=1S/C40H54FN5O6S/c1-26(2)20-36(37(47)21-27(3)38(48)43-34-16-18-46(19-17-34)25-29-10-8-7-9-11-29)44-40(50)32-22-31(23-35(24-32)45(5)53(6,51)52)39(49)42-28(4)30-12-14-33(41)15-13-30/h7-15,22-24,26-28,34,36-37,47H,16-21,25H2,1-6H3,(H,42,49)(H,43,48)(H,44,50)/t27-,28-,36+,37+/m1/s1 PZDHHODHDFQQQA-WMJIDNGHSA-N 50276538 CHEMBL502753::N-[(4S,5S,7R)-7-(1-Benzylpiperidin-4-yl)carbamoyl-5-hydroxy-2-methyloct-4-yl]-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197219 104119650 CHEMBL502753 ZINC95615720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151414 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C42H52FN5O5S/c1-30(34-14-16-37(43)17-15-34)45-41(50)35-25-36(27-38(26-35)47(2)54(3,52)53)42(51)46-39(24-32-10-6-4-7-11-32)40(49)28-44-21-18-31-19-22-48(23-20-31)29-33-12-8-5-9-13-33/h4-17,25-27,30-31,39-40,44,49H,18-24,28-29H2,1-3H3,(H,45,50)(H,46,51)/t30-,39+,40-/m1/s1 OTTBBRFLXGZXST-KPXRDTHESA-N 50276557 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)-amino]-N'-[(R)-1-(4-fluorophenyl)ethyl]isophthalamide::CHEMBL498966 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197137 104119669 CHEMBL498966 ZINC95535669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151415 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O InChI=1S/C40H57N5O5S/c1-5-21-45(22-6-2)40(48)35-26-34(27-36(28-35)43(3)51(4,49)50)39(47)42-37(25-32-13-9-7-10-14-32)38(46)29-41-20-17-31-18-23-44(24-19-31)30-33-15-11-8-12-16-33/h7-16,26-28,31,37-38,41,46H,5-6,17-25,29-30H2,1-4H3,(H,42,47)/t37-,38+/m0/s1 QQBIHVNKZCDPGZ-QPPIDDCLSA-N 50276558 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N',N'-dipropyl-5-[methyl(methylsulfonyl)amino]isophthalamide::CHEMBL451867 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197163 104119670 CHEMBL451867 ZINC49841269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151416 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 InChI=1S/C40H55N5O6S/c1-27(2)21-36(37(46)22-28(3)38(47)42-34-17-19-45(20-18-34)26-30-13-9-7-10-14-30)43-40(49)33-23-32(24-35(25-33)44(5)52(6,50)51)39(48)41-29(4)31-15-11-8-12-16-31/h7-16,23-25,27-29,34,36-37,46H,17-22,26H2,1-6H3,(H,41,48)(H,42,47)(H,43,49)/t28-,29-,36+,37+/m1/s1 YQZZHORNIAORJO-UEWHTKCSSA-N 50276542 CHEMBL503136::N-{(4S,5S,7R)-2-[7-(1-Benzylpiperidin-4-yl)]carbamoyl-5-hydroxy-2-methyloct-4-yl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenyl ethyl]isophthalamide Beta-secretase 1 Homo sapiens 1541 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197162 104119654 CHEMBL503136 ZINC49889344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151417 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 InChI=1S/C40H48N4O3/c1-30(34-16-9-4-10-17-34)42-39(46)35-18-11-19-36(27-35)40(47)43-37(26-32-12-5-2-6-13-32)38(45)28-41-23-20-31-21-24-44(25-22-31)29-33-14-7-3-8-15-33/h2-19,27,30-31,37-38,41,45H,20-26,28-29H2,1H3,(H,42,46)(H,43,47)/t30-,37+,38-/m1/s1 LXULCPVDXVJLBH-XGZFDELHSA-N 50276616 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL456748 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197192 104119703 CHEMBL456748 ZINC44352611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151418 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C27H30FN3O5S/c1-18(20-9-11-23(28)12-10-20)29-26(33)21-14-22(16-25(15-21)31(2)37(3,35)36)27(34)30-24(17-32)13-19-7-5-4-6-8-19/h4-12,14-16,18,24,32H,13,17H2,1-3H3,(H,29,33)(H,30,34)/t18-,24+/m1/s1 BDWVOWRQSIGIGX-KOSHJBKYSA-N 16689 1,3,5-trisubstituted aromatic scaffold, 2a::1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::CHEMBL380257 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647395 46516917 CHEMBL380257 ZINC14961891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151419 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 InChI=1S/C41H56FN5O6S/c1-27(2)20-37(38(48)21-28(3)39(49)43-25-30-16-18-47(19-17-30)26-31-10-8-7-9-11-31)45-41(51)34-22-33(23-36(24-34)46(5)54(6,52)53)40(50)44-29(4)32-12-14-35(42)15-13-32/h7-15,22-24,27-30,37-38,48H,16-21,25-26H2,1-6H3,(H,43,49)(H,44,50)(H,45,51)/t28-,29-,37+,38+/m1/s1 VGGSCDDNPJJFEC-VDQNSNGVSA-N 50276539 CHEMBL509294::N-{(4S,5S,7R)-2-[7-(1-Benzylpiperidin-4-yl)]methylcarbamoyl-5-hydroxy-2-methyloct-4-yl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide Beta-secretase 1 Homo sapiens 616 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590653 104119651 CHEMBL509294 ZINC95615868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151420 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 InChI=1S/C40H46FN5O5/c1-28(32-12-14-35(41)15-13-32)43-39(48)33-23-34(25-36(24-33)46(50)51)40(49)44-37(22-30-8-4-2-5-9-30)38(47)26-42-19-16-29-17-20-45(21-18-29)27-31-10-6-3-7-11-31/h2-15,23-25,28-29,37-38,42,47H,16-22,26-27H2,1H3,(H,43,48)(H,44,49)/t28-,37+,38-/m1/s1 FJKQCZAIQHRDHC-KNXHFOKOSA-N 50276560 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-nitroisophthalamide::CHEMBL505154 Beta-secretase 1 Homo sapiens 2682 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197138 104119672 CHEMBL505154 ZINC49898571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151421 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C27H30FN3O5S/c1-18(20-9-11-23(28)12-10-20)29-26(33)21-14-22(16-25(15-21)31(2)37(3,35)36)27(34)30-24(17-32)13-19-7-5-4-6-8-19/h4-12,14-16,18,24,32H,13,17H2,1-3H3,(H,29,33)(H,30,34)/t18-,24+/m1/s1 BDWVOWRQSIGIGX-KOSHJBKYSA-N 16689 1,3,5-trisubstituted aromatic scaffold, 2a::1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::CHEMBL380257 Beta-secretase 1 Homo sapiens 462 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647395 46516917 CHEMBL380257 ZINC14961891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151422 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCCC1CCN(Cc2ccccc2)CC1 InChI=1S/C42H58FN5O6S/c1-28(2)22-38(39(49)23-29(3)40(50)44-19-16-31-17-20-48(21-18-31)27-32-10-8-7-9-11-32)46-42(52)35-24-34(25-37(26-35)47(5)55(6,53)54)41(51)45-30(4)33-12-14-36(43)15-13-33/h7-15,24-26,28-31,38-39,49H,16-23,27H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)/t29-,30-,38+,39+/m1/s1 CRKOTSRUMMTXGU-PHLYTOKQSA-N 50276540 CHEMBL454559::N-{(4S,5S,7R)-2-[7-(1-Benzylpiperidin-4-yl)]ethylcarbamoyl-5-hydroxy-2-methyloctan-4-yl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide Beta-secretase 1 Homo sapiens 1339 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197220 104119652 CHEMBL454559 ZINC95614951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151423 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 InChI=1S/C40H47N5O5/c1-29(33-15-9-4-10-16-33)42-39(47)34-24-35(26-36(25-34)45(49)50)40(48)43-37(23-31-11-5-2-6-12-31)38(46)27-41-20-17-30-18-21-44(22-19-30)28-32-13-7-3-8-14-32/h2-16,24-26,29-30,37-38,41,46H,17-23,27-28H2,1H3,(H,42,47)(H,43,48)/t29-,37+,38-/m1/s1 OWWDZRJCQISTSQ-NOWQQFBNSA-N 50276559 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-nitro-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL501029 Beta-secretase 1 Homo sapiens 7021 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197191 104119671 CHEMBL501029 ZINC49889170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151424 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 InChI=1S/C40H47N5O5/c1-29(33-15-9-4-10-16-33)42-39(47)34-24-35(26-36(25-34)45(49)50)40(48)43-37(23-31-11-5-2-6-12-31)38(46)27-41-20-17-30-18-21-44(22-19-30)28-32-13-7-3-8-14-32/h2-16,24-26,29-30,37-38,41,46H,17-23,27-28H2,1H3,(H,42,47)(H,43,48)/t29-,37+,38-/m1/s1 OWWDZRJCQISTSQ-NOWQQFBNSA-N 50276559 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-nitro-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL501029 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197191 104119671 CHEMBL501029 ZINC49889170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151425 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 InChI=1S/C40H47FN4O3/c1-29(33-15-17-36(41)18-16-33)43-39(47)34-13-8-14-35(26-34)40(48)44-37(25-31-9-4-2-5-10-31)38(46)27-42-22-19-30-20-23-45(24-21-30)28-32-11-6-3-7-12-32/h2-18,26,29-30,37-38,42,46H,19-25,27-28H2,1H3,(H,43,47)(H,44,48)/t29-,37+,38-/m1/s1 KYUJVELECIVHKH-NOWQQFBNSA-N 50276617 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-isophthalamide::CHEMBL455081 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197139 104119704 CHEMBL455081 ZINC49841304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151426 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCCC1CCN(Cc2ccccc2)CC1 InChI=1S/C42H58FN5O6S/c1-28(2)22-38(39(49)23-29(3)40(50)44-19-16-31-17-20-48(21-18-31)27-32-10-8-7-9-11-32)46-42(52)35-24-34(25-37(26-35)47(5)55(6,53)54)41(51)45-30(4)33-12-14-36(43)15-13-33/h7-15,24-26,28-31,38-39,49H,16-23,27H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)/t29-,30-,38+,39+/m1/s1 CRKOTSRUMMTXGU-PHLYTOKQSA-N 50276540 CHEMBL454559::N-{(4S,5S,7R)-2-[7-(1-Benzylpiperidin-4-yl)]ethylcarbamoyl-5-hydroxy-2-methyloctan-4-yl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197220 104119652 CHEMBL454559 ZINC95614951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151427 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 InChI=1S/C38H52N4O3/c1-3-22-42(23-4-2)38(45)34-17-11-16-33(27-34)37(44)40-35(26-31-12-7-5-8-13-31)36(43)28-39-21-18-30-19-24-41(25-20-30)29-32-14-9-6-10-15-32/h5-17,27,30,35-36,39,43H,3-4,18-26,28-29H2,1-2H3,(H,40,44)/t35-,36+/m0/s1 HOBGGJRCUJAVDE-MPQUPPDSSA-N 50276618 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N',N'-dipropylisophthalamide::CHEMBL446478 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197193 104119705 CHEMBL446478 ZINC44305142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151428 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NN1CCN(Cc2ccccc2)CC1 InChI=1S/C39H54N6O6S/c1-27(2)21-35(36(46)22-28(3)37(47)42-45-19-17-44(18-20-45)26-30-13-9-7-10-14-30)41-39(49)33-23-32(24-34(25-33)43(5)52(6,50)51)38(48)40-29(4)31-15-11-8-12-16-31/h7-16,23-25,27-29,35-36,46H,17-22,26H2,1-6H3,(H,40,48)(H,41,49)(H,42,47)/t28-,29-,35+,36+/m1/s1 RMYMCFQJBGHHRV-XSKHDXJTSA-N 50025140 CHEMBL503126 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590654 277286560 CHEMBL503126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151429 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 InChI=1S/C40H46FN5O5/c1-28(32-12-14-35(41)15-13-32)43-39(48)33-23-34(25-36(24-33)46(50)51)40(49)44-37(22-30-8-4-2-5-9-30)38(47)26-42-19-16-29-17-20-45(21-18-29)27-31-10-6-3-7-11-31/h2-15,23-25,28-29,37-38,42,47H,16-22,26-27H2,1H3,(H,43,48)(H,44,49)/t28-,37+,38-/m1/s1 FJKQCZAIQHRDHC-KNXHFOKOSA-N 50276560 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-nitroisophthalamide::CHEMBL505154 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197138 104119672 CHEMBL505154 ZINC49898571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151430 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 InChI=1S/C38H51N5O5/c1-3-19-42(20-4-2)38(46)33-24-32(25-34(26-33)43(47)48)37(45)40-35(23-30-11-7-5-8-12-30)36(44)27-39-18-15-29-16-21-41(22-17-29)28-31-13-9-6-10-14-31/h5-14,24-26,29,35-36,39,44H,3-4,15-23,27-28H2,1-2H3,(H,40,45)/t35-,36+/m0/s1 ISDDMLODBITQPG-MPQUPPDSSA-N 50276561 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N',N'-dipropyl-5-nitroisophthalamide::CHEMBL455352 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590663 104119673 CHEMBL455352 ZINC49841310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151431 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 InChI=1S/C41H56FN5O6S/c1-27(2)20-37(38(48)21-28(3)39(49)43-25-30-16-18-47(19-17-30)26-31-10-8-7-9-11-31)45-41(51)34-22-33(23-36(24-34)46(5)54(6,52)53)40(50)44-29(4)32-12-14-35(42)15-13-32/h7-15,22-24,27-30,37-38,48H,16-21,25-26H2,1-6H3,(H,43,49)(H,44,50)(H,45,51)/t28-,29-,37+,38+/m1/s1 VGGSCDDNPJJFEC-VDQNSNGVSA-N 50276539 CHEMBL509294::N-{(4S,5S,7R)-2-[7-(1-Benzylpiperidin-4-yl)]methylcarbamoyl-5-hydroxy-2-methyloct-4-yl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590653 104119651 CHEMBL509294 ZINC95615868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151432 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C41H49N5O6S/c1-29(33-17-11-6-12-18-33)43-39(48)34-24-35(26-36(25-34)45(2)53(3,51)52)40(49)44-37(23-30-13-7-4-8-14-30)38(47)41(50)42-27-31-19-21-46(22-20-31)28-32-15-9-5-10-16-32/h4-18,24-26,29,31,37-38,47H,19-23,27-28H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t29-,37+,38?/m1/s1 LRSVPGZOJKOJCB-BDFDYLDISA-N 50025126 CHEMBL499502 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197116 277286559 CHEMBL499502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151433 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C42H51N5O6S/c1-30(34-17-11-6-12-18-34)44-40(49)35-26-36(28-37(27-35)46(2)54(3,52)53)41(50)45-38(25-32-13-7-4-8-14-32)39(48)42(51)43-22-19-31-20-23-47(24-21-31)29-33-15-9-5-10-16-33/h4-18,26-28,30-31,38-39,48H,19-25,29H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)/t30-,38+,39?/m1/s1 NKECKRQJWGQLKX-GCLQNPRDSA-N 50276545 CHEMBL450138::N-{[2S,3(R,S)]-2-[4-(1-Benzylpiperidin-4-yl)]ethyl-carbamoyl-3-hydroxy-1-phenylbut-2-yl}-5-[methyl-(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197136 104119657 CHEMBL450138 ZINC95615128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151434 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 InChI=1S/C40H55N5O6S/c1-27(2)21-36(37(46)22-28(3)38(47)42-34-17-19-45(20-18-34)26-30-13-9-7-10-14-30)43-40(49)33-23-32(24-35(25-33)44(5)52(6,50)51)39(48)41-29(4)31-15-11-8-12-16-31/h7-16,23-25,27-29,34,36-37,46H,17-22,26H2,1-6H3,(H,41,48)(H,42,47)(H,43,49)/t28-,29-,36+,37+/m1/s1 YQZZHORNIAORJO-UEWHTKCSSA-N 50276542 CHEMBL503136::N-{(4S,5S,7R)-2-[7-(1-Benzylpiperidin-4-yl)]carbamoyl-5-hydroxy-2-methyloct-4-yl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenyl ethyl]isophthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197162 104119654 CHEMBL503136 ZINC49889344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151435 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C40H47N5O6S/c1-28(31-17-11-6-12-18-31)41-38(47)32-24-33(26-35(25-32)44(2)52(3,50)51)39(48)43-36(23-29-13-7-4-8-14-29)37(46)40(49)42-34-19-21-45(22-20-34)27-30-15-9-5-10-16-30/h4-18,24-26,28,34,36-37,46H,19-23,27H2,1-3H3,(H,41,47)(H,42,49)(H,43,48)/t28-,36+,37?/m1/s1 GKNDJCUXTFFUMH-PCSHBMLJSA-N 50025125 CHEMBL504664 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590655 277286558 CHEMBL504664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151436 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O InChI=1S/C40H57N5O5S/c1-5-21-45(22-6-2)40(48)35-26-34(27-36(28-35)43(3)51(4,49)50)39(47)42-37(25-32-13-9-7-10-14-32)38(46)29-41-20-17-31-18-23-44(24-19-31)30-33-15-11-8-12-16-33/h7-16,26-28,31,37-38,41,46H,5-6,17-25,29-30H2,1-4H3,(H,42,47)/t37-,38+/m0/s1 QQBIHVNKZCDPGZ-QPPIDDCLSA-N 50276558 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N',N'-dipropyl-5-[methyl(methylsulfonyl)amino]isophthalamide::CHEMBL451867 Beta-secretase 1 Homo sapiens 2392 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197163 104119670 CHEMBL451867 ZINC49841269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151437 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C42H50FN5O6S/c1-29(33-14-16-36(43)17-15-33)45-40(50)34-25-35(27-37(26-34)47(2)55(3,53)54)41(51)46-38(24-31-10-6-4-7-11-31)39(49)42(52)44-21-18-30-19-22-48(23-20-30)28-32-12-8-5-9-13-32/h4-17,25-27,29-30,38-39,49H,18-24,28H2,1-3H3,(H,44,52)(H,45,50)(H,46,51)/t29-,38+,39?/m1/s1 IEVLFWZUDHLUFU-NTTMMMQXSA-N 50276548 CHEMBL501509::N-{[2S,3(R,S)]-2-[4-(1-Benzylpiperidin-4-yl)]ethylcarbamoyl-3-hydroxy-1-phenylbut-2-yl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]iso phthalamide Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590657 104119660 CHEMBL501509 ZINC95615911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151438 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C42H52FN5O5S/c1-30(34-14-16-37(43)17-15-34)45-41(50)35-25-36(27-38(26-35)47(2)54(3,52)53)42(51)46-39(24-32-10-6-4-7-11-32)40(49)28-44-21-18-31-19-22-48(23-20-31)29-33-12-8-5-9-13-33/h4-17,25-27,30-31,39-40,44,49H,18-24,28-29H2,1-3H3,(H,45,50)(H,46,51)/t30-,39+,40-/m1/s1 OTTBBRFLXGZXST-KPXRDTHESA-N 50276557 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)-amino]-N'-[(R)-1-(4-fluorophenyl)ethyl]isophthalamide::CHEMBL498966 Beta-secretase 1 Homo sapiens 222 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197137 104119669 CHEMBL498966 ZINC95535669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151439 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 InChI=1S/C40H54FN5O6S/c1-26(2)20-36(37(47)21-27(3)38(48)43-34-16-18-46(19-17-34)25-29-10-8-7-9-11-29)44-40(50)32-22-31(23-35(24-32)45(5)53(6,51)52)39(49)42-28(4)30-12-14-33(41)15-13-30/h7-15,22-24,26-28,34,36-37,47H,16-21,25H2,1-6H3,(H,42,49)(H,43,48)(H,44,50)/t27-,28-,36+,37+/m1/s1 PZDHHODHDFQQQA-WMJIDNGHSA-N 50276538 CHEMBL502753::N-[(4S,5S,7R)-7-(1-Benzylpiperidin-4-yl)carbamoyl-5-hydroxy-2-methyloct-4-yl]-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide Beta-secretase 1 Homo sapiens 1504 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197219 104119650 CHEMBL502753 ZINC95615720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151440 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C40H46FN5O6S/c1-27(30-14-16-33(41)17-15-30)42-38(48)31-23-32(25-35(24-31)45(2)53(3,51)52)39(49)44-36(22-28-10-6-4-7-11-28)37(47)40(50)43-34-18-20-46(21-19-34)26-29-12-8-5-9-13-29/h4-17,23-25,27,34,36-37,47H,18-22,26H2,1-3H3,(H,42,48)(H,43,50)(H,44,49)/t27-,36+,37?/m1/s1 BWHZOEZGICUPSW-NNCGUGFRSA-N 50025123 CHEMBL501507 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197099 277286557 CHEMBL501507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151441 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C41H48FN5O6S/c1-28(32-14-16-35(42)17-15-32)44-39(49)33-23-34(25-36(24-33)46(2)54(3,52)53)40(50)45-37(22-29-10-6-4-7-11-29)38(48)41(51)43-26-30-18-20-47(21-19-30)27-31-12-8-5-9-13-31/h4-17,23-25,28,30,37-38,48H,18-22,26-27H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)/t28-,37+,38?/m1/s1 XFKIJDPMSMPGPJ-BLPGZOOVSA-N 50025122 CHEMBL507252 Beta-secretase 1 Homo sapiens <1000 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590656 277286556 CHEMBL507252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151442 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1 IMNAYTZSJCRZIO-RLRCJDGOSA-N 50276554 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL510269 Beta-secretase 1 Homo sapiens 567 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0U4 4FCO 44123817 104119666 CHEMBL510269 ZINC49899465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151443 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C41H51N5O5S/c1-30(34-17-11-6-12-18-34)43-40(48)35-24-36(26-37(25-35)45(2)52(3,50)51)41(49)44-38(23-31-13-7-4-8-14-31)39(47)28-42-27-32-19-21-46(22-20-32)29-33-15-9-5-10-16-33/h4-18,24-26,30,32,38-39,42,47H,19-23,27-29H2,1-3H3,(H,43,48)(H,44,49)/t30-,38+,39-/m1/s1 YUBOSJOKXBRQQG-UYQVSLPBSA-N 50276553 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)methylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL499686 Beta-secretase 1 Homo sapiens 3999 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197118 104119665 CHEMBL499686 ZINC49889576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151444 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C41H50FN5O5S/c1-29(33-14-16-36(42)17-15-33)44-40(49)34-23-35(25-37(24-34)46(2)53(3,51)52)41(50)45-38(22-30-10-6-4-7-11-30)39(48)27-43-26-31-18-20-47(21-19-31)28-32-12-8-5-9-13-32/h4-17,23-25,29,31,38-39,43,48H,18-22,26-28H2,1-3H3,(H,44,49)(H,45,50)/t29-,38+,39-/m1/s1 UALACBUTVHAKIU-VSVILQIWSA-N 50276556 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)methylamino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide::CHEMBL445960 Beta-secretase 1 Homo sapiens 3233 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44197119 104119668 CHEMBL445960 ZINC49823199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151445 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C40H48FN5O5S/c1-28(31-14-16-34(41)17-15-31)43-39(48)32-23-33(25-36(24-32)45(2)52(3,50)51)40(49)44-37(22-29-10-6-4-7-11-29)38(47)26-42-35-18-20-46(21-19-35)27-30-12-8-5-9-13-30/h4-17,23-25,28,35,37-38,42,47H,18-22,26-27H2,1-3H3,(H,43,48)(H,44,49)/t28-,37+,38-/m1/s1 ZZGLTXNPJZVYPI-KNXHFOKOSA-N 50276555 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl}-N'-[(R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide::CHEMBL502647 Beta-secretase 1 Homo sapiens 771 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590662 104119667 CHEMBL502647 ZINC49889549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151446 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50151447 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C40H49N5O5S/c1-29(32-17-11-6-12-18-32)42-39(47)33-24-34(26-36(25-33)44(2)51(3,49)50)40(48)43-37(23-30-13-7-4-8-14-30)38(46)27-41-35-19-21-45(22-20-35)28-31-15-9-5-10-16-31/h4-18,24-26,29,35,37-38,41,46H,19-23,27-28H2,1-3H3,(H,42,47)(H,43,48)/t29-,37+,38-/m1/s1 NQGQLKZLDUJDEA-NOWQQFBNSA-N 50276552 (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide::CHEMBL502172 Beta-secretase 1 Homo sapiens 511 ChEMBL 10.1016/j.bmc.2008.12.067 10.7270/Q24J0F0R 19162488 Zhu, Y; Xiao, K; Ma, L; Xiong, B; Fu, Y; Yu, H; Wang, W; Wang, X; Hu, D; Peng, H; Li, J; Gong, Q; Chai, Q; Tang, X; Zhang, H; Li, J; Shen, J Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44590661 104119664 CHEMBL502172 ZINC49888781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150453 NCCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc12 InChI=1S/C26H32BrN3O2/c27-22-12-13-25(32-17-16-29-15-6-2-1-5-14-28)24(19-22)30-26(31)18-21-10-7-9-20-8-3-4-11-23(20)21/h3-4,7-13,19,29H,1-2,5-6,14-18,28H2,(H,30,31) CIUOTWYZNOCJOF-UHFFFAOYSA-N 50255007 CHEMBL464912::N-(2-(2-(6-aminohexylamino)ethoxy)-5-bromophenyl)-2-(naphthalen-1-yl)acetamide::N-{2-[2-(6-Aminohexylamino)ethoxy]-5-bromophenyl}-1-naphthalenylacetamide Beta-secretase 1 Homo sapiens 18300 ChEMBL 10.1016/j.bmc.2008.10.059 10.7270/Q2765F5C 19013073 Huang, W; Yu, H; Sheng, R; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25147572 104107076 CHEMBL464912 ZINC40873174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150454 Brc1ccc(OCCNC2CCCCC2)c(NC(=O)Cc2cccc3ccccc23)c1 InChI=1S/C26H29BrN2O2/c27-21-13-14-25(31-16-15-28-22-10-2-1-3-11-22)24(18-21)29-26(30)17-20-9-6-8-19-7-4-5-12-23(19)20/h4-9,12-14,18,22,28H,1-3,10-11,15-17H2,(H,29,30) ZJXXIIDAYAWUPY-UHFFFAOYSA-N 50255008 CHEMBL464913::N-{5-Bromo-2-[2-(cyclohexylamino)ethoxy]phenyl}-1-naphthalenylacetamide Beta-secretase 1 Homo sapiens 47000 ChEMBL 10.1016/j.bmc.2008.10.059 10.7270/Q2765F5C 19013073 Huang, W; Yu, H; Sheng, R; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570540 104107077 CHEMBL464913 ZINC40873176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150455 C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1 HQIFKDQCICONGY-SPTGULJVSA-N 50254784 CHEMBL517179::N5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N7-((R)-1-phenylethyl)chroman-5,7-dicarboxamide Beta-secretase 1 Homo sapiens 112 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570302 104106935 CHEMBL517179 ZINC42877526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150456 C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-33(39)28-19-25(20-31-27(28)14-8-9-17-40-31)32(38)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,39)(H,36,38)/t22-,29+,30-/m1/s1 LXIQBYCJDRSMAU-ZDERHKTGSA-N 50254744 CHEMBL474057::N8-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N6-((R)-1-phenylethyl)-2,3,4,5-tetrahydrobenzo[b]oxepine-6,8-dicarboxamide Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25181421 104106907 CHEMBL474057 ZINC44430573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150457 C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/m1/s1 PPVOCDQWTXFBHU-ZDERHKTGSA-N 50254785 CHEMBL464918::N6-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N8-((R)-1-phenylethyl)-2,3,4,5-tetrahydrobenzo[b]oxepine-6,8-dicarboxamide Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570303 104106936 CHEMBL464918 ZINC44405020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150458 C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1 BOCRENYPEJKZOM-IEXUNWISSA-N 50254745 CHEMBL463864::N7-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N5-((R)-1-(4-fluorophenyl)ethyl)chroman-5,7-dicarboxamide Beta-secretase 1 Homo sapiens 740 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570261 104106908 CHEMBL463864 ZINC44387948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150459 C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1 WCHANTAGLXCTLE-HAQLSYKPSA-N 50254746 CHEMBL446879::N8-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N6-((R)-1-(4-fluorophenyl)ethyl)-2,3,4,5-tetrahydrobenzo[b]oxepine-6,8-dicarboxamide Beta-secretase 1 Homo sapiens 262 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570262 104106909 CHEMBL446879 ZINC44305782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150460 C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1 InChI=1S/C32H35N3O4/c1-20-15-26-27(17-24(18-30(26)39-20)31(37)34-21(2)23-11-7-4-8-12-23)32(38)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1 RYLYLEZYSLPXSS-SPTGULJVSA-N 50254747 CHEMBL463865::N4-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2-methyl-N6-((R)-1-phenylethyl)benzofuran-4,6-dicarboxamide Beta-secretase 1 Homo sapiens 998 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570263 104106910 CHEMBL463865 ZINC44387952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150461 C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C29H33N3O4/c1-19(21-10-6-3-7-11-21)31-28(35)22-15-23(17-25(33)16-22)29(36)32-26(14-20-8-4-2-5-9-20)27(34)18-30-24-12-13-24/h2-11,15-17,19,24,26-27,30,33-34H,12-14,18H2,1H3,(H,31,35)(H,32,36)/t19-,26+,27-/m1/s1 JYSDETLSPPVSOQ-PGMDNKBISA-N 50254665 CHEMBL482371::N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-hydroxy-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 1581 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570172 104106840 CHEMBL482371 ZINC40934070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150462 COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C30H35N3O4/c1-20(22-11-7-4-8-12-22)32-29(35)23-16-24(18-26(17-23)37-2)30(36)33-27(15-21-9-5-3-6-10-21)28(34)19-31-25-13-14-25/h3-12,16-18,20,25,27-28,31,34H,13-15,19H2,1-2H3,(H,32,35)(H,33,36)/t20-,27+,28-/m1/s1 GKRKKPGYGQZJMG-JTOILGAVSA-N 50254666 CHEMBL479421::N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-methoxy-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 2506 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570173 104106841 CHEMBL479421 ZINC40936555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150463 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 InChI=1S/C31H33N3O3/c1-3-22-16-25(30(36)33-21(2)24-12-8-5-9-13-24)19-26(17-22)31(37)34-28(18-23-10-6-4-7-11-23)29(35)20-32-27-14-15-27/h1,4-13,16-17,19,21,27-29,32,35H,14-15,18,20H2,2H3,(H,33,36)(H,34,37)/t21-,28+,29-/m1/s1 RPKVMUQEUBVMQP-SPTGULJVSA-N 50254667 CHEMBL518294::N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-ethynyl-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 889 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570174 104106842 CHEMBL518294 ZINC40936557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150464 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/m1/s1 BKWNRLGMNHZAMD-UMJMCJBLSA-N 50254708 4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-amide] 5-[((R)-1-phenyl-ethyl)-amide]::CHEMBL443447 Beta-secretase 1 Homo sapiens 811 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570208 104106876 CHEMBL443447 ZINC44281110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150465 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 InChI=1S/C37H37N3O3/c1-26(30-15-9-4-10-16-30)39-36(42)31-21-29(18-17-27-11-5-2-6-12-27)22-32(24-31)37(43)40-34(23-28-13-7-3-8-14-28)35(41)25-38-33-19-20-33/h2-16,21-22,24,26,33-35,38,41H,19-20,23,25H2,1H3,(H,39,42)(H,40,43)/t26-,34+,35-/m1/s1 WBARRWBVYQMDQH-PTWIYLDJSA-N 50254709 CHEMBL450801::N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)-5-(2-phenylethynyl)isophthalamide Beta-secretase 1 Homo sapiens 1119 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570209 104106877 CHEMBL450801 ZINC44352171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150466 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150467 C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C38H40N6O3/c1-26(29-15-9-4-10-16-29)40-37(46)31-20-30(35-25-44(43-42-35)24-28-13-7-3-8-14-28)21-32(22-31)38(47)41-34(19-27-11-5-2-6-12-27)36(45)23-39-33-17-18-33/h2-16,20-22,25-26,33-34,36,39,45H,17-19,23-24H2,1H3,(H,40,46)(H,41,47)/t26-,34+,36-/m1/s1 YTMYFBOYXMHHME-OUJNJVGLSA-N 50254710 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide::CHEMBL449578 Beta-secretase 1 Homo sapiens 1256 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570210 104106878 CHEMBL449578 ZINC44351903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150468 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 InChI=1S/C32H38N4O5S/c1-22(24-11-6-3-7-12-24)34-31(38)25-18-26(20-28(19-25)36-15-8-16-42(36,40)41)32(39)35-29(17-23-9-4-2-5-10-23)30(37)21-33-27-13-14-27/h2-7,9-12,18-20,22,27,29-30,33,37H,8,13-17,21H2,1H3,(H,34,38)(H,35,39)/t22-,29+,30-/m1/s1 MBKQDBPGZVELFG-ZDERHKTGSA-N 50254711 CHEMBL443087::N-((1S,2R)-1-Benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1774 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570211 104106879 CHEMBL443087 ZINC44280585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150469 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1 BQAAFVLWSABVAL-YYSPBGNDSA-N 50254712 CHEMBL499468::N-((1S,2R)-1-Benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 158 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570212 104106880 CHEMBL499468 ZINC49889407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150470 C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C32H35N3O4/c1-20-15-26-27(32(38)34-21(2)23-11-7-4-8-12-23)17-24(18-30(26)39-20)31(37)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1 DULHFOZITVQSGH-SPTGULJVSA-N 50254713 CHEMBL514310::N6-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2-methyl-N4-((R)-1-phenylethyl)benzofuran-4,6-dicarboxamide Beta-secretase 1 Homo sapiens 524 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570213 104106881 CHEMBL514310 ZINC42875258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150471 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150472 C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1 QVCPGZYJEIDVFT-SPTGULJVSA-N 50254714 CHEMBL473854::N7-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N5-((R)-1-phenylethyl)chroman-5,7-dicarboxamide Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25181420 104106882 CHEMBL473854 ZINC44430363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50150473 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 InChI=1S/C33H35N3O3S/c1-22(24-10-6-3-7-11-24)35-32(38)27-17-26(25-14-15-40-21-25)18-28(19-27)33(39)36-30(16-23-8-4-2-5-9-23)31(37)20-34-29-12-13-29/h2-11,14-15,17-19,21-22,29-31,34,37H,12-13,16,20H2,1H3,(H,35,38)(H,36,39)/t22-,30+,31-/m1/s1 ZTEDLWSRZQXJSK-QSSDJRQSSA-N 50254707 CHEMBL473652::N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)-5-(thiophen-3-yl)isophthalamide Beta-secretase 1 Homo sapiens 2233 ChEMBL 10.1016/j.bmcl.2008.10.096 10.7270/Q2ZP4606 19013792 Chirapu, SR; Pachaiyappan, B; Nural, HF; Cheng, X; Yuan, H; Lankin, DC; Abdul-Hay, SO; Thatcher, GR; Shen, Y; Kozikowski, AP; Petukhov, PA University of Illinois at Chicago http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44570207 104106875 CHEMBL473652 ZINC44417782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156021 Fc1ccc2nc(NC(=O)c3ccc4c(Nc5ccccc5NC4=O)c3)[nH]c2c1 InChI=1S/C21H14FN5O2/c22-12-6-8-16-18(10-12)26-21(25-16)27-19(28)11-5-7-13-17(9-11)23-14-3-1-2-4-15(14)24-20(13)29/h1-10,23H,(H,24,29)(H2,25,26,27,28) TYGOSDVNZPYNSK-UHFFFAOYSA-N 50299243 3-(6-Fluoro-1H-benzo[d]imidazol-2-yl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one::CHEMBL568035 Beta-secretase 1 Homo sapiens 244 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483144 104140772 CHEMBL568035 ZINC45259852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156022 O=C(Nc1ccncc1)c1ccc2c(Nc3ccccc3NC2=O)c1 InChI=1S/C19H14N4O2/c24-18(21-13-7-9-20-10-8-13)12-5-6-14-17(11-12)22-15-3-1-2-4-16(15)23-19(14)25/h1-11,22H,(H,23,25)(H,20,21,24) NZRFZJAHSHAEAC-UHFFFAOYSA-N 50299238 CHEMBL578437::Methyl 11-Oxo-N-(pyridin-4-yl)-10,11-dihydro-5H-dibenzo-[b,e][1,4]diazepine-3-carboxamide Beta-secretase 1 Homo sapiens 295 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44480209 104140767 CHEMBL578437 ZINC45302101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156023 O=C(Nc1nc(c[nH]1)-c1ccncc1)c1ccc2c(Nc3ccccc3NC2=O)c1 InChI=1S/C22H16N6O2/c29-20(28-22-24-12-19(27-22)13-7-9-23-10-8-13)14-5-6-15-18(11-14)25-16-3-1-2-4-17(16)26-21(15)30/h1-12,25H,(H,26,30)(H2,24,27,28,29) RNIRGRORYKVWBR-UHFFFAOYSA-N 50299240 3-(5-(Pyridin-4-yl)-1H-imidazol-2-yl)-5H dibenzo[b,e][1,4]-diazepin-11(10H)-one::CHEMBL575567 Beta-secretase 1 Homo sapiens 348 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483165 104140769 CHEMBL575567 ZINC45289056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156024 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156025 Fc1ccc(cc1)-c1c[nH]c(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)n1 InChI=1S/C23H16FN5O2/c24-15-8-5-13(6-9-15)20-12-25-23(28-20)29-21(30)14-7-10-16-19(11-14)26-17-3-1-2-4-18(17)27-22(16)31/h1-12,26H,(H,27,31)(H2,25,28,29,30) OWMCRLCVNNKMLM-UHFFFAOYSA-N 50299241 3-(5-(4-Fluorophenyl)-1H-imidazol-2-yl)-5H dibenzo[b,e][1,4]diazepin-11(10H)-one::CHEMBL573162 Beta-secretase 1 Homo sapiens 293 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483169 104140770 CHEMBL573162 ZINC45286357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156026 Fc1ccc(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)cc1 InChI=1S/C20H14FN3O2/c21-13-6-8-14(9-7-13)22-19(25)12-5-10-15-18(11-12)23-16-3-1-2-4-17(16)24-20(15)26/h1-11,23H,(H,22,25)(H,24,26) DSRGVBKRHCMKHJ-UHFFFAOYSA-N 50299239 CHEMBL572940::N-(4-Fluorophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-3-carboxamide Beta-secretase 1 Homo sapiens 211 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44480205 104140768 CHEMBL572940 ZINC45286995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156027 C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)c1ccc(F)cc1 InChI=1S/C30H35FN4O5S/c1-19(21-8-10-24(31)11-9-21)33-29(37)22-15-23(17-26(16-22)35-41(2,39)40)30(38)34-27(14-20-6-4-3-5-7-20)28(36)18-32-25-12-13-25/h3-11,15-17,19,25,27-28,32,35-36H,12-14,18H2,1-2H3,(H,33,37)(H,34,38)/t19-,27+,28+/m1/s1 XMAYUKKFZWBWNS-KEFSCGHKSA-N 50299244 CHEMBL591428::N1-((2S,3S)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-(4-fluorophenyl)ethyl)-5-(methylsulfonamido)isophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483153 104140773 CHEMBL591428 ZINC28604340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156028 O=C(Nc1nc2ccncc2[nH]1)c1ccc2c(Nc3ccccc3NC2=O)c1 InChI=1S/C20H14N6O2/c27-18(26-20-24-15-7-8-21-10-17(15)25-20)11-5-6-12-16(9-11)22-13-3-1-2-4-14(13)23-19(12)28/h1-10,22H,(H,23,28)(H2,24,25,26,27) LKCMNJFQKGVXII-UHFFFAOYSA-N 50299242 3-(3H-Imidazo[4,5-c]pyridin-2-yl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one::CHEMBL575326 Beta-secretase 1 Homo sapiens 309 ChEMBL 10.1021/jm9008482 10.7270/Q2765FC2 19788239 Al-Tel, TH; Al-Qawasmeh, RA; Schmidt, MF; Al-Aboudi, A; Rao, SN; Sabri, SS; Voelter, W University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483174 104140771 CHEMBL575326 ZINC45299624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149677 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35+,37+/m1/s1 XYKCBRCSBVZGIL-YGZSNBDOSA-N 50274099 5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-isophthalic acid::CHEMBL500876 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 757 3DM6 25113163 104117996 CHEMBL500876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149678 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C43H47F2N5O12S/c1-23(2)38(41(55)47-33-15-29(42(56)57)14-30(16-33)43(58)59)49-37(52)20-36(51)35(22-62-21-25-11-31(44)19-32(45)12-25)48-40(54)28-13-27(17-34(18-28)50(4)63(5,60)61)39(53)46-24(3)26-9-7-6-8-10-26/h6-19,23-24,35-36,38,51H,20-22H2,1-5H3,(H,46,53)(H,47,55)(H,48,54)(H,49,52)(H,56,57)(H,58,59)/t24-,35+,36+,38+/m1/s1 UIWWGBKSSHAJQP-XGTQTKKKSA-N 50274100 5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methyl-butyrylamino)-isophthalic acid::CHEMBL504140 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588639 104117997 CHEMBL504140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149679 CC(C)[C@H](NC(=O)C[C@@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37-,39+/m1/s1 QJQRVBQEIVDUTB-UZMHVHBGSA-N 50274097 4-[((S)-2-{(3R,4S)-5-Benzyloxy-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid::CHEMBL448303 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588637 104117994 CHEMBL448303 ZINC95615004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149680 COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc(c1)C(=O)OC InChI=1S/C44H49F2N5O12S/c1-24(2)39(42(56)48-33-15-29(43(57)61-5)14-30(16-33)44(58)62-6)50-38(53)22-37(52)36(23-63-35-20-31(45)19-32(46)21-35)49-41(55)28-13-27(17-34(18-28)51(4)64(7,59)60)40(54)47-25(3)26-11-9-8-10-12-26/h8-21,24-25,36-37,39,52H,22-23H2,1-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,53)/t25-,36+,37+,39+/m1/s1 MCIILMHPQNXSOC-GANACDCKSA-N 50274098 5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-isophthalic acid dimethyl ester::CHEMBL508810 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588638 104117995 CHEMBL508810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149681 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C39H48N4O10/c1-5-15-43(16-6-2)37(48)27-14-10-13-26(17-27)35(46)41-31(23-53-22-25-11-8-7-9-12-25)32(44)21-33(45)42-34(24(3)4)36(47)40-30-19-28(38(49)50)18-29(20-30)39(51)52/h7-14,17-20,24,31-32,34,44H,5-6,15-16,21-23H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,49,50)(H,51,52)/t31-,32-,34-/m0/s1 JKLSCCHJYLRBOA-HSRBSRBISA-N 50274103 5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamoylbenzoylamino)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid::CHEMBL447880 Beta-secretase 1 Homo sapiens 1890 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588641 104118000 CHEMBL447880 ZINC49841112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149682 COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1 InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-23-27-12-14-29(15-13-27)43(56)59-5)49-38(52)22-37(51)36(24-60-35-20-32(44)19-33(45)21-35)48-41(54)31-16-30(17-34(18-31)50(4)61(6,57)58)40(53)47-26(3)28-10-8-7-9-11-28/h7-21,25-26,36-37,39,51H,22-24H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t26-,36+,37+,39+/m1/s1 MRZRLAFQWPGOFA-KWFXOABXSA-N 50274092 4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenylethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid methyl ester::CHEMBL455548 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588633 104117989 CHEMBL455548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149683 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)N(C)S(C)(=O)=O InChI=1S/C36H41F2N5O12S/c1-18(2)31(34(48)40-26-10-22(35(49)50)9-23(11-26)36(51)52)42-30(45)15-29(44)28(17-55-16-19-6-24(37)14-25(38)7-19)41-33(47)21-8-20(32(46)39-3)12-27(13-21)43(4)56(5,53)54/h6-14,18,28-29,31,44H,15-17H2,1-5H3,(H,39,46)(H,40,48)(H,41,47)(H,42,45)(H,49,50)(H,51,52)/t28-,29-,31-/m0/s1 OGTYIEXTCALADQ-QMOZSOIISA-N 50274104 5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-methylcarbamoylbenzoylamino]-pentanoylamino}-3-methyl-butyrylamino)-isophthalic acid::CHEMBL450469 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588642 104118001 CHEMBL450469 ZINC96302124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149684 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C42H47F2N5O10S/c1-24(2)38(41(54)45-22-26-11-13-28(14-12-26)42(55)56)48-37(51)21-36(50)35(23-59-34-19-31(43)18-32(44)20-34)47-40(53)30-15-29(16-33(17-30)49(4)60(5,57)58)39(52)46-25(3)27-9-7-6-8-10-27/h6-20,24-25,35-36,38,50H,21-23H2,1-5H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)(H,55,56)/t25-,35+,36+,38+/m1/s1 AHDGDEFMZAFTKB-UUXVCSEFSA-N 50274093 4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL450491 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16725331 104117990 CHEMBL450491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149685 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C43H49N5O12S/c1-25(2)38(41(53)45-33-18-31(42(54)55)17-32(19-33)43(56)57)47-37(50)22-36(49)35(24-60-23-27-12-8-6-9-13-27)46-40(52)30-16-29(20-34(21-30)48(4)61(5,58)59)39(51)44-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)(H,56,57)/t26-,35+,36+,38+/m1/s1 SUNYNMMLGQLECM-GXSFITMJSA-N 50274101 5-((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methyl-butyrylamino)-isophthalic acid::CHEMBL464887 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25110732 104117998 CHEMBL464887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149686 COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 InChI=1S/C40H57F2N5O10S/c1-22(2)33(36(51)43-20-24-10-12-25(13-11-24)38(53)55-8)46-32(49)19-31(48)30(21-56-28-17-26(41)16-27(42)18-28)45-35(50)29(14-15-58-9)44-37(52)34(23(3)4)47-39(54)57-40(5,6)7/h10-13,16-18,22-23,29-31,33-34,48H,14-15,19-21H2,1-9H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,54)/t29-,30-,31-,33-,34-/m0/s1 JRIIEYUXFNKBIY-SFRFHSQUSA-N 50274090 4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-5-(3,5-difluoro-phenoxy)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-methyl)-benzoic acid methyl ester::CHEMBL448501 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588631 104117987 CHEMBL448501 ZINC96302119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149687 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C39H46F2N4O10/c1-5-10-45(11-6-2)37(50)25-9-7-8-24(14-25)35(48)43-31(21-55-20-23-12-28(40)18-29(41)13-23)32(46)19-33(47)44-34(22(3)4)36(49)42-30-16-26(38(51)52)15-27(17-30)39(53)54/h7-9,12-18,22,31-32,34,46H,5-6,10-11,19-21H2,1-4H3,(H,42,49)(H,43,48)(H,44,47)(H,51,52)(H,53,54)/t31-,32-,34-/m0/s1 AHYSZUNTRRMUOZ-HSRBSRBISA-N 50274102 5-{(S)-2-[(3S,4S)-5-(3,5-Difluoro-benzyloxy)-4-(3-dipropylcarbamoyl-benzoylamino)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid::CHEMBL506251 Beta-secretase 1 Homo sapiens 2230 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588640 104117999 CHEMBL506251 ZINC96302123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149688 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C39H55F2N5O10S/c1-21(2)32(35(50)42-19-23-9-11-24(12-10-23)37(52)53)45-31(48)18-30(47)29(20-55-27-16-25(40)15-26(41)17-27)44-34(49)28(13-14-57-8)43-36(51)33(22(3)4)46-38(54)56-39(5,6)7/h9-12,15-17,21-22,28-30,32-33,47H,13-14,18-20H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)(H,45,48)(H,46,54)(H,52,53)/t28-,29-,30-,32-,33-/m0/s1 GEMWRCXJLPOQSU-BLNBCHBNSA-N 50274091 4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-5-(3,5-difluoro-phenoxy)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-methyl)-benzoic acid::CHEMBL447563 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588632 104117988 CHEMBL447563 ZINC96302120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149689 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37+,39+/m1/s1 QJQRVBQEIVDUTB-WROLNVFFSA-N 50274096 4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid::CHEMBL443909 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588636 104117993 CHEMBL443909 ZINC96302122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149690 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C39H41F2N5O10S/c1-23(25-7-5-4-6-8-25)44-37(50)27-13-28(15-31(14-27)46(2)57(3,54)55)38(51)45-33(22-56-32-17-29(40)16-30(41)18-32)34(47)19-35(48)43-21-36(49)42-20-24-9-11-26(12-10-24)39(52)53/h4-18,23,33-34,47H,19-22H2,1-3H3,(H,42,49)(H,43,48)(H,44,50)(H,45,51)(H,52,53)/t23-,33+,34+/m1/s1 WYJCIBRLASGGRM-RLDSBJTASA-N 50274107 4-[(2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-acetylamino)-methyl]-benzoic acid::CHEMBL500708 Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588645 104118004 CHEMBL500708 ZINC96302126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149691 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C41H47F2N5O8S/c1-25(2)38(41(53)44-23-27-12-8-6-9-13-27)47-37(50)22-36(49)35(24-56-34-20-31(42)19-32(43)21-34)46-40(52)30-16-29(17-33(18-30)48(4)57(5,54)55)39(51)45-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)/t26-,35+,36+,38+/m1/s1 MQPKSUFTZQEZNO-GXSFITMJSA-N 50274108 CHEMBL445085::N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-propyl]-5-(methanesulfonyl-methyl-amino)-N0-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588646 104118005 CHEMBL445085 ZINC96302127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152936 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22) SUQKMDURKUPPHL-UHFFFAOYSA-N 50258278 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1H-imidazol-2-amine::CHEMBL494015 Beta-secretase 1 Homo sapiens 3400 6.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44218957 104109021 CHEMBL494015 ZINC40953848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152937 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22) SUQKMDURKUPPHL-UHFFFAOYSA-N 50258278 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1H-imidazol-2-amine::CHEMBL494015 Beta-secretase 1 Homo sapiens 5700 4.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44218957 104109021 CHEMBL494015 ZINC40953848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152938 COc1ccc(cc1)C(Cc1ccccc1)c1csc(N)n1 InChI=1S/C18H18N2OS/c1-21-15-9-7-14(8-10-15)16(17-12-22-18(19)20-17)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H2,19,20) GJBZQLOSCWVBDU-UHFFFAOYSA-N 50258848 4-(1-(4-methoxyphenyl)-2-phenylethyl)thiazol-2-amine::CHEMBL466782 Beta-secretase 1 Homo sapiens 32000 4.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11702315 104109439 CHEMBL466782 ZINC38277786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152939 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1 InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21) PBSYABIBXNOMBJ-UHFFFAOYSA-N 50258849 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)thiazol-2-amine::CHEMBL466025 Beta-secretase 1 Homo sapiens 1100 4.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219759 104109440 CHEMBL466025 ZINC40880713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152940 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1 InChI=1S/C20H22N4O4/c1-23-12-18(22-20(23)21)17(13-4-7-16(27-2)8-5-13)11-14-10-15(24(25)26)6-9-19(14)28-3/h4-10,12,17H,11H2,1-3H3,(H2,21,22) LWIYEMOOCOORBX-UHFFFAOYSA-N 50258280 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1-methyl-1H-imidazol-2-amine::CHEMBL494186 Beta-secretase 1 Homo sapiens 470 6.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219272 104109023 CHEMBL494186 ZINC40429825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152941 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1 InChI=1S/C20H22N4O4/c1-23-12-18(22-20(23)21)17(13-4-7-16(27-2)8-5-13)11-14-10-15(24(25)26)6-9-19(14)28-3/h4-10,12,17H,11H2,1-3H3,(H2,21,22) LWIYEMOOCOORBX-UHFFFAOYSA-N 50258280 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1-methyl-1H-imidazol-2-amine::CHEMBL494186 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219272 104109023 CHEMBL494186 ZINC40429825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152942 COc1ccc(cc1F)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 InChI=1S/C19H19FN4O4/c1-27-17-6-4-13(24(25)26)7-12(17)8-14(16-10-22-19(21)23-16)11-3-5-18(28-2)15(20)9-11/h3-7,9-10,14H,8H2,1-2H3,(H3,21,22,23) RFLOFHKRBGKCOB-UHFFFAOYSA-N 50258279 4-(1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl)-1H-imidazol-2-amine::CHEMBL522520 Beta-secretase 1 Homo sapiens 3200 6.4 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44218800 104109022 CHEMBL522520 ZINC40955568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152943 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1 InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21) PBSYABIBXNOMBJ-UHFFFAOYSA-N 50258849 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)thiazol-2-amine::CHEMBL466025 Beta-secretase 1 Homo sapiens >22000000 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44219759 104109440 CHEMBL466025 ZINC40880713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152944 Nc1nc(cs1)C1(CCCC1)c1ccc(Cl)cc1 InChI=1S/C14H15ClN2S/c15-11-5-3-10(4-6-11)14(7-1-2-8-14)12-9-18-13(16)17-12/h3-6,9H,1-2,7-8H2,(H2,16,17) XPFGLSFZHFEJTJ-UHFFFAOYSA-N 50258846 4-(1-(4-chlorophenyl)cyclopentyl)thiazol-2-amine::CHEMBL448459 Beta-secretase 1 Homo sapiens 38000 4.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11550876 104109437 CHEMBL448459 ZINC11883976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152945 COc1ccc(cc1)C1(CCCC1)c1csc(N)n1 InChI=1S/C15H18N2OS/c1-18-12-6-4-11(5-7-12)15(8-2-3-9-15)13-10-19-14(16)17-13/h4-7,10H,2-3,8-9H2,1H3,(H2,16,17) CKMNYFMEILPBLI-UHFFFAOYSA-N 50258847 4-(1-(4-methoxyphenyl)cyclopentyl)thiazol-2-amine::CHEMBL449357 Beta-secretase 1 Homo sapiens 25000 4.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11608786 104109438 CHEMBL449357 ZINC11833562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50152946 Nc1nc(cs1)C1(CCCC1)c1ccccc1 InChI=1S/C14H16N2S/c15-13-16-12(10-17-13)14(8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,15,16) OGEZYPPIKAJNGR-UHFFFAOYSA-N 50258845 4-(1-phenylcyclopentyl)thiazol-2-amine::CHEMBL511383 Beta-secretase 1 Homo sapiens 217000 4.5 ChEMBL 10.1016/j.bmcl.2009.04.033 10.7270/Q2XS5V96 19409780 Stachel, SJ; Coburn, CA; Rush, D; Jones, KL; Zhu, H; Rajapakse, H; Graham, SL; Simon, A; Katharine Holloway, M; Allison, TJ; Munshi, SK; Espeseth, AS; Zuck, P; Colussi, D; Wolfe, A; Pietrak, BL; Lai, MT; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 789289 104109436 CHEMBL511383 ZINC00288917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154097 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1 LHBBUGLYVFZUTH-GXVHRJHYSA-N 50294219 (3S,14R,16S)-16-((R)-1-hydroxy-2-(3-isopropylbenzylamino)ethyl)-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::CHEMBL564010 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BAV 5QDB,3DV5 25163982 104135750 CHEMBL564010 ZINC39187969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154098 CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N3)c2c1 InChI=1S/C33H55N3O4/c1-22(2)25-16-17-30-26(19-25)28(20-33(5,6)40-30)34-21-29(37)27-18-23(3)14-12-10-8-9-11-13-15-31(38)36(7)24(4)32(39)35-27/h16-17,19,22-24,27-29,34,37H,8-15,18,20-21H2,1-7H3,(H,35,39)/t23-,24+,27+,28+,29-/m1/s1 MNENNUUKHSBOKZ-BEOVBFIISA-N 50294218 (3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-2,2-dimethylchroman-4-ylamino)ethyl)-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::CHEMBL558488 Beta-secretase 1 Homo sapiens 24000 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E6V 5QD8 42636932 104135749 CHEMBL558488 ZINC43203227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154099 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 InChI=1S/C26H49N3O4/c1-6-7-16-27-25(32)20(3)18-23(30)22-17-19(2)14-12-10-8-9-11-13-15-24(31)29(5)21(4)26(33)28-22/h19-23,30H,6-18H2,1-5H3,(H,27,32)(H,28,33)/t19-,20-,21+,22+,23+/m1/s1 WOSHLTWGKJOHON-VROINQGHSA-N 29754 macrocyclic peptidomimetic, 3h Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42636931 85147520 ZINC40874059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154100 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 InChI=1S/C26H49N3O4/c1-6-7-16-27-25(32)20(3)18-23(30)22-17-19(2)14-12-10-8-9-11-13-15-24(31)29(5)21(4)26(33)28-22/h19-23,30H,6-18H2,1-5H3,(H,27,32)(H,28,33)/t19-,20-,21+,22+,23+/m1/s1 WOSHLTWGKJOHON-VROINQGHSA-N 29754 macrocyclic peptidomimetic, 3h Beta-secretase 1 Homo sapiens 8700 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42636931 85147520 ZINC40874059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154101 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H45N3O4/c1-5-6-14-25-23(30)18(3)16-21(28)20-15-17(2)12-10-8-7-9-11-13-22(29)26-19(4)24(31)27-20/h17-21,28H,5-16H2,1-4H3,(H,25,30)(H,26,29)(H,27,31)/t17-,18-,19+,20+,21+/m1/s1 ZUIGWVKXPZANDI-MJCUULBUSA-N 29748 NVP-ARV99::macrocyclic peptidomimetic, 3b Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AR9 3DV1,5QCW 25163981 85147514 ZINC39148482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154102 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H47N3O4/c1-5-6-15-26-24(31)19(3)17-22(29)21-16-18(2)13-11-9-7-8-10-12-14-23(30)27-20(4)25(32)28-21/h18-22,29H,5-17H2,1-4H3,(H,26,31)(H,27,30)(H,28,32)/t18-,19-,20+,21+,22+/m1/s1 RRIUEDKJQUUCSB-AANPDWTMSA-N 29750 macrocyclic peptidomimetic, 3d Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143253 85147516 ZINC40949828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154103 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H47N3O4/c1-5-6-15-26-24(31)19(3)17-22(29)21-16-18(2)13-11-9-7-8-10-12-14-23(30)27-20(4)25(32)28-21/h18-22,29H,5-17H2,1-4H3,(H,26,31)(H,27,30)(H,28,32)/t18-,19-,20+,21+,22+/m1/s1 RRIUEDKJQUUCSB-AANPDWTMSA-N 29750 macrocyclic peptidomimetic, 3d Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44143253 85147516 ZINC40949828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154104 CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N3)c2c1 InChI=1S/C33H55N3O4/c1-22(2)25-16-17-30-26(19-25)28(20-33(5,6)40-30)34-21-29(37)27-18-23(3)14-12-10-8-9-11-13-15-31(38)36(7)24(4)32(39)35-27/h16-17,19,22-24,27-29,34,37H,8-15,18,20-21H2,1-7H3,(H,35,39)/t23-,24+,27+,28+,29-/m1/s1 MNENNUUKHSBOKZ-BEOVBFIISA-N 50294218 (3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-2,2-dimethylchroman-4-ylamino)ethyl)-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::CHEMBL558488 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E6V 5QD8 42636932 104135749 CHEMBL558488 ZINC43203227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154105 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1 LHBBUGLYVFZUTH-GXVHRJHYSA-N 50294219 (3S,14R,16S)-16-((R)-1-hydroxy-2-(3-isopropylbenzylamino)ethyl)-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione::CHEMBL564010 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BAV 5QDB,3DV5 25163982 104135750 CHEMBL564010 ZINC39187969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154106 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H45N3O4/c1-5-6-14-25-23(30)18(3)16-21(28)20-15-17(2)12-10-8-7-9-11-13-22(29)26-19(4)24(31)27-20/h17-21,28H,5-16H2,1-4H3,(H,25,30)(H,26,29)(H,27,31)/t17-,18-,19+,20+,21+/m1/s1 ZUIGWVKXPZANDI-MJCUULBUSA-N 29748 NVP-ARV99::macrocyclic peptidomimetic, 3b Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AR9 3DV1,5QCW 25163981 85147514 ZINC39148482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154107 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C InChI=1S/C25H49N3O4S/c1-8-9-13-26-24(31)19(6)16-22(29)21(15-18(4)5)28-25(32)20(12-14-33-7)27-23(30)11-10-17(2)3/h17-22,29H,8-16H2,1-7H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20+,21+,22+/m1/s1 XTRMRNMVFXWTCC-MLNNCEHLSA-N 29744 hydroxyethylene tripeptide inhibitor, 1 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AFJ 5QCQ,3DUY 25163980 85147510 ZINC39145436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154108 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C InChI=1S/C25H49N3O4S/c1-8-9-13-26-24(31)19(6)16-22(29)21(15-18(4)5)28-25(32)20(12-14-33-7)27-23(30)11-10-17(2)3/h17-22,29H,8-16H2,1-7H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20+,21+,22+/m1/s1 XTRMRNMVFXWTCC-MLNNCEHLSA-N 29744 hydroxyethylene tripeptide inhibitor, 1 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.01.055 10.7270/Q2SB45S3 19195887 Machauer, R; Laumen, K; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Jaton, AL; Desrayaud, S; Staufenbiel, M; Rabe, S; Paganetti, P; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AFJ 5QCQ,3DUY 25163980 85147510 ZINC39145436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156288 CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C39H45F2N3O9S/c1-25(27-9-7-6-8-10-27)42-38(46)28-15-29(17-32(16-28)44(2)54(5,48)49)39(47)43-36(24-53-34-19-30(40)18-31(41)20-34)37(45)21-35(51-4)23-52-22-26-11-13-33(50-3)14-12-26/h6-20,25,35-37,45H,21-24H2,1-5H3,(H,42,46)(H,43,47)/t25-,35-,36+,37+/m1/s1 DAHXZLFDWYWHRO-OQINHXKASA-N 50300171 CHEMBL572692::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-(4-methoxy-benzyloxy)-pentyl]-5-(methanesulfonylmethyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112336 104154532 CHEMBL572692 ZINC95536818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156289 CO[C@@H](COCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C38H43F2N3O8S/c1-25(27-13-9-6-10-14-27)41-37(45)28-15-29(17-32(16-28)43(2)52(4,47)48)38(46)42-35(24-51-33-19-30(39)18-31(40)20-33)36(44)21-34(49-3)23-50-22-26-11-7-5-8-12-26/h5-20,25,34-36,44H,21-24H2,1-4H3,(H,41,45)(H,42,46)/t25-,34-,35+,36+/m1/s1 HCCUAEDWZPUACG-SLTDDSHKSA-N 50300172 CHEMBL572773::N-[(1S,2S,4R)-5-benzyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112335 104154533 CHEMBL572773 ZINC95536819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156290 CO[C@@H](COC(C)C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C34H43F2N3O8S/c1-21(2)46-19-30(45-5)18-32(40)31(20-47-29-16-26(35)15-27(36)17-29)38-34(42)25-12-24(13-28(14-25)39(4)48(6,43)44)33(41)37-22(3)23-10-8-7-9-11-23/h7-17,21-22,30-32,40H,18-20H2,1-6H3,(H,37,41)(H,38,42)/t22-,30-,31+,32+/m1/s1 PWQMRWXGOOXKPU-RDELGHPNSA-N 50300173 CHEMBL572772::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-5-isobutoxy-4-methoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483917 104154534 CHEMBL572772 ZINC49695295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156291 CO[C@@H](CO)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C31H37F2N3O8S/c1-19(20-8-6-5-7-9-20)34-30(39)21-10-22(12-25(11-21)36(2)45(4,41)42)31(40)35-28(29(38)16-27(17-37)43-3)18-44-26-14-23(32)13-24(33)15-26/h5-15,19,27-29,37-38H,16-18H2,1-4H3,(H,34,39)(H,35,40)/t19-,27-,28+,29+/m1/s1 OPFCROFPAHPCQD-OHDRDDBGSA-N 50300181 CHEMBL583496::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2,5-dihydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45114035 104154542 CHEMBL583496 ZINC49722868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156292 CO[C@@H](CNCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C38H44F2N4O7S/c1-25(27-13-9-6-10-14-27)42-37(46)28-15-29(17-32(16-28)44(2)52(4,48)49)38(47)43-35(24-51-33-19-30(39)18-31(40)20-33)36(45)21-34(50-3)23-41-22-26-11-7-5-8-12-26/h5-20,25,34-36,41,45H,21-24H2,1-4H3,(H,42,46)(H,43,47)/t25-,34-,35+,36+/m1/s1 RVLBBCQVPOSNBV-SLTDDSHKSA-N 50300185 CHEMBL583915::N-[5-benzylamino-1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-methoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112444 104154546 CHEMBL583915 ZINC49723276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156293 CO[C@@H](CNc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C37H41F3N4O7S/c1-23(24-8-6-5-7-9-24)42-36(46)25-14-26(16-31(15-25)44(2)52(4,48)49)37(47)43-34(22-51-32-18-28(39)17-29(40)19-32)35(45)20-33(50-3)21-41-30-12-10-27(38)11-13-30/h5-19,23,33-35,41,45H,20-22H2,1-4H3,(H,42,46)(H,43,47)/t23-,33-,34+,35+/m1/s1 YDMGIZFKZZHPBQ-UTSDXBSYSA-N 50300175 CHEMBL583703::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-5-(4-fluorophenylamino)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonylmethyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112337 104154536 CHEMBL583703 ZINC95536961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156294 COC[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OC InChI=1S/C32H39F2N3O8S/c1-20(21-9-7-6-8-10-21)35-31(39)22-11-23(13-26(12-22)37(2)46(5,41)42)32(40)36-29(30(38)17-28(44-4)18-43-3)19-45-27-15-24(33)14-25(34)16-27/h6-16,20,28-30,38H,17-19H2,1-5H3,(H,35,39)(H,36,40)/t20-,28-,29+,30+/m1/s1 FMJKXKPPBJGTCN-JVEPGKPJSA-N 50300182 CHEMBL572771::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4,5-dimethoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112084 104154543 CHEMBL572771 ZINC49695173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156295 CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C InChI=1S/C35H46F2N4O8S/c1-22-11-25(22)18-40(2)33-12-24(13-34(39-33)41(3)50(6,44)45)35(43)38-31(21-49-29-15-26(36)14-27(37)16-29)32(42)17-30(47-5)20-48-19-23-7-9-28(46-4)10-8-23/h7-10,12-16,22,25,30-32,42H,11,17-21H2,1-6H3,(H,38,43)/t22-,25+,30+,31-,32-/m0/s1 RXINPIWPWMGNDV-FOMVGBRBSA-N 50300177 CHEMBL583303::N-[1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-methoxy-5-(4-methoxy-benzyloxy)-pentyl]-2-[methyl-(2S-methyl-cyclopropyl-(S)-methyl)-amino]-6-[methyl-(propane-2-sulfonyl)-amino]-isonicotinamide Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45483918 104154538 CHEMBL583303 ZINC49722782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156296 CO[C@@H](COCC1CC1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C35H43F2N3O8S/c1-22(24-8-6-5-7-9-24)38-34(42)25-12-26(14-29(13-25)40(2)49(4,44)45)35(43)39-32(21-48-30-16-27(36)15-28(37)17-30)33(41)18-31(46-3)20-47-19-23-10-11-23/h5-9,12-17,22-23,31-33,41H,10-11,18-21H2,1-4H3,(H,38,42)(H,39,43)/t22-,31-,32+,33+/m1/s1 YEGCOOWNYOLWNB-ZSRIMRQDSA-N 50300178 CHEMBL583697::N-[(1S,2S,4R)-5-cyclopropylmethoxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonylmethyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1860 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112086 104154539 CHEMBL583697 ZINC49722820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156297 CO[C@@H](CNCc1ccccc1)C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C38H44F2N4O7S/c1-25(27-13-9-6-10-14-27)42-37(46)28-15-29(17-32(16-28)44(2)52(4,48)49)38(47)43-35(24-51-33-19-30(39)18-31(40)20-33)36(45)21-34(50-3)23-41-22-26-11-7-5-8-12-26/h5-20,25,34-36,41,45H,21-24H2,1-4H3,(H,42,46)(H,43,47)/t25-,34-,35+,36-/m1/s1 RVLBBCQVPOSNBV-BBFZAZMFSA-N 50300186 CHEMBL583302::N-[5-benzylamino-1S-(3,5-difluoro-phenoxymethyl)-2R-hydroxy-4R-methoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112445 104154547 CHEMBL583302 ZINC49722925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156298 CO[C@@H](CNc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C37H42F2N4O7S/c1-24(25-11-7-5-8-12-25)41-36(45)26-15-27(17-31(16-26)43(2)51(4,47)48)37(46)42-34(23-50-32-19-28(38)18-29(39)20-32)35(44)21-33(49-3)22-40-30-13-9-6-10-14-30/h5-20,24,33-35,40,44H,21-23H2,1-4H3,(H,41,45)(H,42,46)/t24-,33-,34+,35+/m1/s1 LSTHODNAKCJZGR-FEQZCBRZSA-N 50300174 CHEMBL583699::N-[1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-methoxy-5-phenylamino-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1Rphenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112224 104154535 CHEMBL583699 ZINC49722847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156299 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37+,38-,39+/m1/s1 IEIHXPJWOSDLBU-VWMOWEEZSA-N 50300187 CHEMBL573106::N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE::N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 0.320000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 586 3IXJ 44631838 104154548 CHEMBL573106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156300 CCc1cn2CCS(=O)(=O)N(C)c3ccc(C(=O)N[C@@H](COc4cc(F)cc(F)c4)[C@@H](O)C[C@H](COCc4ccc(OC)cc4)OC)c1c23 InChI=1S/C35H41F2N3O8S/c1-5-23-18-40-12-13-49(43,44)39(2)31-11-10-29(33(23)34(31)40)35(42)38-30(21-48-27-15-24(36)14-25(37)16-27)32(41)17-28(46-4)20-47-19-22-6-8-26(45-3)9-7-22/h6-11,14-16,18,28,30,32,41H,5,12-13,17,19-21H2,1-4H3,(H,38,42)/t28-,30+,32+/m1/s1 DVDWJHOETXTLAZ-YUJJRVTMSA-N 50300176 2-Ethyl-6-methyl-7,7-dioxo-6,7,8,9-tetrahydro-7lambda6-thia-6,9adiaza-benzo[cd]azulene-carboxylic acid [1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-methoxy-5-(4-methoxy-benzyloxy)-pentyl]-amide::CHEMBL583304 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45114034 104154537 CHEMBL583304 ZINC49722783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156301 CO[C@@H](COc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C37H41F2N3O8S/c1-24(25-11-7-5-8-12-25)40-36(44)26-15-27(17-30(16-26)42(2)51(4,46)47)37(45)41-34(23-50-32-19-28(38)18-29(39)20-32)35(43)21-33(48-3)22-49-31-13-9-6-10-14-31/h5-20,24,33-35,43H,21-23H2,1-4H3,(H,40,44)(H,41,45)/t24-,33-,34+,35+/m1/s1 OLLGJYHYFZZUCB-FEQZCBRZSA-N 50300180 CHEMBL573378::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-phenoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 6500 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112223 104154541 CHEMBL573378 ZINC49694618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156302 CO[C@@H](COCC=C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C34H41F2N3O8S/c1-6-12-46-20-30(45-4)19-32(40)31(21-47-29-17-26(35)16-27(36)18-29)38-34(42)25-13-24(14-28(15-25)39(3)48(5,43)44)33(41)37-22(2)23-10-8-7-9-11-23/h6-11,13-18,22,30-32,40H,1,12,19-21H2,2-5H3,(H,37,41)(H,38,42)/t22-,30-,31+,32+/m1/s1 HFPGTVLJKUWCHH-RDELGHPNSA-N 50300179 CHEMBL583700::N-[(1S,2S,4R)-5-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 2020 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112225 104154540 CHEMBL583700 ZINC49722848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156303 CO[C@@H](COCc1cccc(OC)c1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C39H45F2N3O9S/c1-25(27-11-7-6-8-12-27)42-38(46)28-15-29(17-32(16-28)44(2)54(5,48)49)39(47)43-36(24-53-34-19-30(40)18-31(41)20-34)37(45)21-35(51-4)23-52-22-26-10-9-13-33(14-26)50-3/h6-20,25,35-37,45H,21-24H2,1-5H3,(H,42,46)(H,43,47)/t25-,35-,36+,37+/m1/s1 HYKUKLNYJJRBBA-OQINHXKASA-N 50300184 CHEMBL583702::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-(3-methoxy-benzyloxy)-pentyl]-5-(methanesulfonylmethyl-amino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112334 104154545 CHEMBL583702 ZINC95543406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156304 CO[C@@H](COCc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C38H42F3N3O8S/c1-24(26-8-6-5-7-9-26)42-37(46)27-14-28(16-32(15-27)44(2)53(4,48)49)38(47)43-35(23-52-33-18-30(40)17-31(41)19-33)36(45)20-34(50-3)22-51-21-25-10-12-29(39)13-11-25/h5-19,24,34-36,45H,20-23H2,1-4H3,(H,42,46)(H,43,47)/t24-,34-,35+,36+/m1/s1 XPGUOOQPFQKDMK-BEWLILJMSA-N 50300183 CHEMBL583701::N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-5-(4-fluorobenzyloxy)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-methylamino)-N'-(1R-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.10.041 10.7270/Q2VM4C9P 19995674 Meredith, JA; Bjorklund, C; Adolfsson, H; Jansson, K; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45112226 104154544 CHEMBL583701 ZINC95536989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149695 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-22-27-11-13-30(14-12-27)43(56)57)49-38(52)21-37(51)36(24-60-23-28-15-33(44)20-34(45)16-28)48-41(54)32-17-31(18-35(19-32)50(4)61(5,58)59)40(53)47-26(3)29-9-7-6-8-10-29/h6-20,25-26,36-37,39,51H,21-24H2,1-5H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)(H,56,57)/t26-,36+,37+,39+/m1/s1 ZZMNDKIJBBWBHI-KWFXOABXSA-N 50274095 4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid::CHEMBL506759 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588635 104117992 CHEMBL506759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149696 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C33H38F2N4O9S/c1-19(2)30(32(43)36-17-20-8-10-21(11-9-20)33(44)45)38-29(41)16-28(40)27(18-48-26-14-23(34)13-24(35)15-26)37-31(42)22-6-5-7-25(12-22)39(3)49(4,46)47/h5-15,19,27-28,30,40H,16-18H2,1-4H3,(H,36,43)(H,37,42)(H,38,41)(H,44,45)/t27-,28-,30-/m0/s1 ORHDRAHRSJWSKU-XEVVZDEMSA-N 50274111 4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-benzoylamino]-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoicacid::CHEMBL443160 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588649 104118008 CHEMBL443160 ZINC49832779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149697 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O InChI=1S/C41H45F2N5O10S/c1-23(2)37(40(53)45-31-13-11-26(12-14-31)41(54)55)47-36(50)21-35(49)34(22-58-33-19-29(42)18-30(43)20-33)46-39(52)28-15-27(16-32(17-28)48(4)59(5,56)57)38(51)44-24(3)25-9-7-6-8-10-25/h6-20,23-24,34-35,37,49H,21-22H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)/t24-,34+,35+,37+/m1/s1 AUBIUPWTRGPGHM-TWDTVJDVSA-N 50274109 4-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-benzoic acid::CHEMBL500251 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588647 104118006 CHEMBL500251 ZINC96302128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149698 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N[C@H](C)c1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C40H42F2N4O8/c1-23(2)36(39(51)43-21-25-12-14-27(15-13-25)40(52)53)46-35(48)20-34(47)33(22-54-32-18-30(41)17-31(42)19-32)45-38(50)29-11-7-10-28(16-29)37(49)44-24(3)26-8-5-4-6-9-26/h4-19,23-24,33-34,36,47H,20-22H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)(H,46,48)(H,52,53)/t24-,33+,34+,36+/m1/s1 OYSPDOPHXQTSCD-VYBYJOSASA-N 50274110 4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL445021 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588648 104118007 CHEMBL445021 ZINC96302129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149692 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C32H36F2N4O7S/c1-19(20-7-5-4-6-8-20)35-31(41)21-11-22(13-26(12-21)38(2)46(3,43)44)32(42)37-28(29(39)17-30(40)36-25-9-10-25)18-45-27-15-23(33)14-24(34)16-27/h4-8,11-16,19,25,28-29,39H,9-10,17-18H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)/t19-,28+,29+/m1/s1 ZSJNKDSKAWTNOG-FWEOMDSASA-N 50274105 CHEMBL455292::N-[(1S,2S)-3-Cyclopropylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-propyl]-5-(methanesulfonylmethyl-amino)-N0-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588643 104118002 CHEMBL455292 ZINC49844735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149693 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C42H49N5O10S/c1-26(2)38(41(52)43-24-28-16-18-30(19-17-28)42(53)54)46-37(49)23-36(48)35(25-57-34-14-10-7-11-15-34)45-40(51)32-20-31(21-33(22-32)47(4)58(5,55)56)39(50)44-27(3)29-12-8-6-9-13-29/h6-22,26-27,35-36,38,48H,23-25H2,1-5H3,(H,43,52)(H,44,50)(H,45,51)(H,46,49)(H,53,54)/t27-,35+,36+,38+/m1/s1 RRSQTXITGNXGOJ-AWMHAVFRSA-N 50274094 4-[((S)-2-{(3S,4S)-3-Hydroxy-4-[3-(methanesulfonyl-methylamino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoyl-amino]-5-phenoxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL444121 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588634 104117991 CHEMBL444121 ZINC96302121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50149694 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C37H38F2N4O9S/c1-22(24-7-5-4-6-8-24)41-35(46)26-13-27(15-30(14-26)43(2)53(3,50)51)36(47)42-32(21-52-31-17-28(38)16-29(39)18-31)33(44)19-34(45)40-20-23-9-11-25(12-10-23)37(48)49/h4-18,22,32-33,44H,19-21H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)(H,48,49)/t22-,32+,33+/m1/s1 DNZHYNGWAQMAQF-ZVMHSHCWSA-N 50274106 4-({(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-methyl)-benzoicacid::CHEMBL453705 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmc.2008.09.041 10.7270/Q2VD6Z8Z 18842420 Back, M; Nyhlen, J; Kvarnstrom, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nystrom, S; Hallberg, A; Rosenquist, S; Samuelsson, B Linköping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50274106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50274106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44588644 104118003 CHEMBL453705 ZINC96302125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154151 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)NC(C)c2ccc(F)cc2)c1 InChI=1S/C34H34F3N3O4/c1-21(24-9-11-27(35)12-10-24)39-33(42)25-6-4-7-26(17-25)34(43)40-31(16-23-13-28(36)18-29(37)14-23)32(41)20-38-19-22-5-3-8-30(15-22)44-2/h3-15,17-18,21,31-32,38,41H,16,19-20H2,1-2H3,(H,39,42)(H,40,43)/t21?,31-,32+/m0/s1 RABCYDLNQIDCFW-RBWOBRSLSA-N 50294615 CHEMBL555435::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide Beta-secretase 1 Homo sapiens 166 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268964 104136146 CHEMBL555435 ZINC42964150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154152 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)=O)c1 InChI=1S/C36H37F2N3O5/c1-22(26-9-5-4-6-10-26)40-35(44)28-16-27(23(2)42)17-29(18-28)36(45)41-33(15-25-12-30(37)19-31(38)13-25)34(43)21-39-20-24-8-7-11-32(14-24)46-3/h4-14,16-19,22,33-34,39,43H,15,20-21H2,1-3H3,(H,40,44)(H,41,45)/t22-,33+,34-/m1/s1 QHCBYORKPNVPHH-WMIQCMSQSA-N 50294611 5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide::CHEMBL538637 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268963 104136142 CHEMBL538637 ZINC42963976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154153 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)NC(C)c2ccc(F)cc2)c1 InChI=1S/C34H34F3N3O4/c1-21(24-9-11-27(35)12-10-24)39-33(42)25-6-4-7-26(17-25)34(43)40-31(16-23-13-28(36)18-29(37)14-23)32(41)20-38-19-22-5-3-8-30(15-22)44-2/h3-15,17-18,21,31-32,38,41H,16,19-20H2,1-2H3,(H,39,42)(H,40,43)/t21?,31-,32+/m0/s1 RABCYDLNQIDCFW-RBWOBRSLSA-N 50294615 CHEMBL555435::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide Beta-secretase 1 Homo sapiens 266 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268964 104136146 CHEMBL555435 ZINC42964150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154154 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C32H38F2N4O6S/c1-21(37-44-3)24-15-25(17-28(16-24)38-9-4-5-10-45(38,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-7-6-8-29(13-22)43-2/h6-8,11-13,15-18,30-31,35,39H,4-5,9-10,14,19-20H2,1-3H3,(H,36,40)/b37-21-/t30-,31+/m0/s1 NOHSCRMBTHXJAZ-TZUQGGKVSA-N 50294624 CHEMBL541020::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[methoxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45267235 104136155 CHEMBL541020 ZINC49614347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154155 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C32H38F2N4O6S/c1-21(37-44-3)24-15-25(17-28(16-24)38-9-4-5-10-45(38,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-7-6-8-29(13-22)43-2/h6-8,11-13,15-18,30-31,35,39H,4-5,9-10,14,19-20H2,1-3H3,(H,36,40)/b37-21-/t30-,31+/m0/s1 NOHSCRMBTHXJAZ-TZUQGGKVSA-N 50294624 CHEMBL541020::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[methoxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 345 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45267235 104136155 CHEMBL541020 ZINC49614347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154156 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)O)c1 InChI=1S/C36H38F3N3O5/c1-21(25-7-9-29(37)10-8-25)41-35(45)27-15-26(22(2)43)16-28(17-27)36(46)42-33(14-24-11-30(38)18-31(39)12-24)34(44)20-40-19-23-5-4-6-32(13-23)47-3/h4-13,15-18,21-22,33-34,40,43-44H,14,19-20H2,1-3H3,(H,41,45)(H,42,46)/t21?,22?,33-,34+/m0/s1 IXJVBGCZQGVESS-BOFRLJFLSA-N 50294617 CHEMBL556626::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)-5-(1-hydroxyethyl)isophthalamide Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272375 104136148 CHEMBL556626 ZINC96307596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154157 CCCN(CCC)C(=O)c1cc(CC(COC)OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C37H49F2N3O6/c1-6-11-42(12-7-2)37(45)29-14-26(18-33(48-5)24-46-3)13-28(20-29)36(44)41-34(19-27-15-30(38)21-31(39)16-27)35(43)23-40-22-25-9-8-10-32(17-25)47-4/h8-10,13-17,20-21,33-35,40,43H,6-7,11-12,18-19,22-24H2,1-5H3,(H,41,44)/t33?,34-,35+/m0/s1 KYMQDOPUMYXEES-ZYVKZGOESA-N 50294663 CHEMBL539974::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2,3-dimethoxypropyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens >2000 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272374 104136194 CHEMBL539974 ZINC96307597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154158 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)=O)c1 InChI=1S/C36H36F3N3O5/c1-21(25-7-9-29(37)10-8-25)41-35(45)27-15-26(22(2)43)16-28(17-27)36(46)42-33(14-24-11-30(38)18-31(39)12-24)34(44)20-40-19-23-5-4-6-32(13-23)47-3/h4-13,15-18,21,33-34,40,44H,14,19-20H2,1-3H3,(H,41,45)(H,42,46)/t21?,33-,34+/m0/s1 MAFUFEDZAYCCOR-AWOMSBJDSA-N 50294616 5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide::CHEMBL541976 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269822 104136147 CHEMBL541976 ZINC49615512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154160 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)=O)c1 InChI=1S/C36H36F3N3O5/c1-21(25-7-9-29(37)10-8-25)41-35(45)27-15-26(22(2)43)16-28(17-27)36(46)42-33(14-24-11-30(38)18-31(39)12-24)34(44)20-40-19-23-5-4-6-32(13-23)47-3/h4-13,15-18,21,33-34,40,44H,14,19-20H2,1-3H3,(H,41,45)(H,42,46)/t21?,33-,34+/m0/s1 MAFUFEDZAYCCOR-AWOMSBJDSA-N 50294616 5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide::CHEMBL541976 Beta-secretase 1 Homo sapiens 91 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269822 104136147 CHEMBL541976 ZINC49615512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154161 CCCN(CCC)C(=O)c1cc(CC(C)O)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C35H45F2N3O5/c1-5-10-40(11-6-2)35(44)28-14-25(12-23(3)41)13-27(19-28)34(43)39-32(18-26-15-29(36)20-30(37)16-26)33(42)22-38-21-24-8-7-9-31(17-24)45-4/h7-9,13-17,19-20,23,32-33,38,41-42H,5-6,10-12,18,21-22H2,1-4H3,(H,39,43)/t23?,32-,33+/m0/s1 ZJYJGAFCAQRJNY-OABUWRMSSA-N 50294661 CHEMBL552743::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2-hydroxypropyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272373 104136192 CHEMBL552743 ZINC70631561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154165 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)O InChI=1S/C34H43F2N3O5/c1-5-10-39(11-6-2)34(43)27-17-25(22(3)40)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,22,31-32,37,40-41H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/t22?,31-,32+/m0/s1 ZCBJNEMWWSYHRK-SLXSLGHESA-N 50294660 CHEMBL539973::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-hydroxyethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16061967 104136191 CHEMBL539973 ZINC59747267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154166 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCc1ccccc1 InChI=1S/C41H48F2N4O5/c1-5-15-47(16-6-2)41(50)34-22-32(28(3)46-52-27-29-11-8-7-9-12-29)21-33(23-34)40(49)45-38(20-31-17-35(42)24-36(43)18-31)39(48)26-44-25-30-13-10-14-37(19-30)51-4/h7-14,17-19,21-24,38-39,44,48H,5-6,15-16,20,25-27H2,1-4H3,(H,45,49)/b46-28-/t38-,39+/m0/s1 RHTBDWUASNTDIZ-MLQUEILVSA-N 50294659 5-(1-(benzyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL539972 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272372 104136190 CHEMBL539972 ZINC49614429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154167 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C32H39F2N3O4/c1-4-12-37(13-5-2)32(40)25-10-7-9-24(18-25)31(39)36-29(17-23-14-26(33)19-27(34)15-23)30(38)21-35-20-22-8-6-11-28(16-22)41-3/h6-11,14-16,18-19,29-30,35,38H,4-5,12-13,17,20-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1 YDTKXRCFWVLUOJ-XZWHSSHBSA-N 50294653 CHEMBL551980::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272371 104136184 CHEMBL551980 ZINC43021140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154168 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N2CCCCS2(=O)=O)c1 InChI=1S/C34H40F2N4O6S/c1-4-11-46-39-23(2)26-17-27(19-30(18-26)40-10-5-6-12-47(40,43)44)34(42)38-32(16-25-13-28(35)20-29(36)14-25)33(41)22-37-21-24-8-7-9-31(15-24)45-3/h4,7-9,13-15,17-20,32-33,37,41H,1,5-6,10-12,16,21-22H2,2-3H3,(H,38,42)/b39-23-/t32-,33+/m0/s1 AHHZRVFNARGXOU-BJNFDGMPSA-N 50294626 3-{1-[Allyloxyimino]-ethyl}-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide::CHEMBL552744 Beta-secretase 1 Homo sapiens 1232 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272378 104136157 CHEMBL552744 ZINC49639700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154169 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N=O InChI=1S/C34H42F2N4O5/c1-5-10-40(11-6-2)34(43)27-17-25(22(3)39-44)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)45-4/h7-9,12-14,16-19,22,31-32,37,41H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/t22?,31-,32+/m0/s1 WTYYUDWDDAJQET-SLXSLGHESA-N 50294655 CHEMBL540729::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(hydroxyimino)ethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91399495 104136186 CHEMBL540729 ZINC42967185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154171 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(C)S(C)(=O)=O)c1 InChI=1S/C29H33F2N3O6S/c1-18(35)21-12-22(14-25(13-21)34(2)41(4,38)39)29(37)33-27(11-20-8-23(30)15-24(31)9-20)28(36)17-32-16-19-6-5-7-26(10-19)40-3/h5-10,12-15,27-28,32,36H,11,16-17H2,1-4H3,(H,33,37)/t27-,28+/m0/s1 MVNBIYWBFZDBIH-WUFINQPMSA-N 50294630 3-acetyl-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL550753 Beta-secretase 1 Homo sapiens 559 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272379 104136161 CHEMBL550753 ZINC43014872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154179 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)=O InChI=1S/C34H41F2N3O5/c1-5-10-39(11-6-2)34(43)27-17-25(22(3)40)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,31-32,37,41H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/t31-,32+/m0/s1 FRLLLZWDYQZXST-AJQTZOPKSA-N 50294654 5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL538636 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15940224 104136185 CHEMBL538636 ZINC42963958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154180 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)=O)c1 InChI=1S/C36H37F2N3O5/c1-22(26-9-5-4-6-10-26)40-35(44)28-16-27(23(2)42)17-29(18-28)36(45)41-33(15-25-12-30(37)19-31(38)13-25)34(43)21-39-20-24-8-7-11-32(14-24)46-3/h4-14,16-19,22,33-34,39,43H,15,20-21H2,1-3H3,(H,40,44)(H,41,45)/t22-,33+,34-/m1/s1 QHCBYORKPNVPHH-WMIQCMSQSA-N 50294611 5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide::CHEMBL538637 Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268963 104136142 CHEMBL538637 ZINC42963976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154181 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)=O InChI=1S/C34H41F2N3O5/c1-5-10-39(11-6-2)34(43)27-17-25(22(3)40)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,31-32,37,41H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/t31-,32+/m0/s1 FRLLLZWDYQZXST-AJQTZOPKSA-N 50294654 5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL538636 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15940224 104136185 CHEMBL538636 ZINC42963958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154182 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)N[C@H](C)c2ccccc2)c1 InChI=1S/C34H35F2N3O4/c1-22(25-9-4-3-5-10-25)38-33(41)26-11-7-12-27(18-26)34(42)39-31(17-24-14-28(35)19-29(36)15-24)32(40)21-37-20-23-8-6-13-30(16-23)43-2/h3-16,18-19,22,31-32,37,40H,17,20-21H2,1-2H3,(H,38,41)(H,39,42)/t22-,31+,32-/m1/s1 KXISFJPUHFUAMS-RXMJOPNQSA-N 50294610 CHEMBL541170::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 198 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45267231 104136141 CHEMBL541170 ZINC42966332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154183 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)N[C@H](C)c2ccccc2)c1 InChI=1S/C34H35F2N3O4/c1-22(25-9-4-3-5-10-25)38-33(41)26-11-7-12-27(18-26)34(42)39-31(17-24-14-28(35)19-29(36)15-24)32(40)21-37-20-23-8-6-13-30(16-23)43-2/h3-16,18-19,22,31-32,37,40H,17,20-21H2,1-2H3,(H,38,41)(H,39,42)/t22-,31+,32-/m1/s1 KXISFJPUHFUAMS-RXMJOPNQSA-N 50294610 CHEMBL541170::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45267231 104136141 CHEMBL541170 ZINC42966332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154184 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C34H35F2N3O6S/c1-22(40)25-16-26(18-30(17-25)39(46(3,43)44)29-9-5-4-6-10-29)34(42)38-32(15-24-12-27(35)19-28(36)13-24)33(41)21-37-20-23-8-7-11-31(14-23)45-2/h4-14,16-19,32-33,37,41H,15,20-21H2,1-3H3,(H,38,42)/t32-,33+/m0/s1 BGEADCXJYGZUSB-JHOUSYSJSA-N 50294639 3-acetyl-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL541172 Beta-secretase 1 Homo sapiens >263 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16062314 104136170 CHEMBL541172 ZINC49614353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154185 CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O7S/c1-5-14-44(15-6-2)39(47)29-20-28(21-35(22-29)52(48,49)34-12-10-32(50-3)11-13-34)38(46)43-36(19-27-16-30(40)23-31(41)17-27)37(45)25-42-24-26-8-7-9-33(18-26)51-4/h7-13,16-18,20-23,36-37,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t36-,37+/m0/s1 MTCIPTUJJRPMSH-PQQNNWGCSA-N 50294652 CHEMBL558542::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-methoxyphenylsulfonyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 392 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45267240 104136183 CHEMBL558542 ZINC49650310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156406 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCC3CCCCC3)(CC(C)C)C2=O)cc1 InChI=1S/C28H45N5O2/c1-4-5-17-30-27(35)31-19-23-11-13-24(14-12-23)20-33-25(34)28(18-21(2)3,32-26(33)29)16-15-22-9-7-6-8-10-22/h11-14,21-22H,4-10,15-20H2,1-3H3,(H2,29,32)(H2,30,31,35) CNTBNKNPMIFGMN-UHFFFAOYSA-N 50300235 CHEMBL571728::rac-3-[(3-Butyl-ureidomethyl)benzyl]-5-cyclohexylethyl-5-isobutyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484139 104154596 CHEMBL571728 ZINC45285988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156407 CCC[C@H]1CN(Cc2ccc(CN3C(N)=NC(CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32?/m0/s1 SILGEXOUELDSRZ-MLAKCTNMSA-N 50300237 (R)-5-(2-Cyclohexylethyl)-5-(cyclohexylmethyl)-3-[4-(2-oxo-4(S)-propylimidazolidin-1-yl)methyl]benzyl-2-iminohydantoin::CHEMBL583875 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484250 104154598 CHEMBL583875 ZINC45320347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156408 CCCCOc1ccc(CSC(N)=N)cc1Cl InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) IONZMLSFEITLRK-UHFFFAOYSA-N 114543 (4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate;hydrochloride::(4-butoxy-3-chlorophenyl)methyl carbamimidothioate;hydrochloride::2-(4-Butoxy-3-chloro-benzyl)-isothiourea::2-(4-butoxy-3-chloro-benzyl)isothiourea;hydrochloride::CHEMBL568966::MLS001029844::SMR000427725::carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester;hydrochloride::cid_16681813 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=114543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search G00 3KMX 1609819 252664042 CHEMBL568966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156409 CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15) NFQQEWLVDJRZJJ-UHFFFAOYSA-N 50300227 (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one::3-(3-Chloro-benzyl)-5,5-dimethyl-2-iminohydantoin::CHEMBL572367 Beta-secretase 1 Homo sapiens 200000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484188 104154588 CHEMBL572367 ZINC45283682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156410 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156411 CCCCOc1ccc(CSC(N)=N)cc1Cl InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) IONZMLSFEITLRK-UHFFFAOYSA-N 114543 (4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate;hydrochloride::(4-butoxy-3-chlorophenyl)methyl carbamimidothioate;hydrochloride::2-(4-Butoxy-3-chloro-benzyl)-isothiourea::2-(4-butoxy-3-chloro-benzyl)isothiourea;hydrochloride::CHEMBL568966::MLS001029844::SMR000427725::carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester;hydrochloride::cid_16681813 Beta-secretase 1 Homo sapiens 200000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=114543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search G00 3KMX 1609819 252664042 CHEMBL568966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156412 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(C)(CC(C)C)C2=O)cc1 InChI=1S/C21H33N5O2/c1-5-6-11-23-20(28)24-13-16-7-9-17(10-8-16)14-26-18(27)21(4,12-15(2)3)25-19(26)22/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,25)(H2,23,24,28) VPGRKPRUHRVZER-UHFFFAOYSA-N 50300231 CHEMBL568967::rac-3-[(3-Butyl-ureidomethyl)benzyl]-5-isobutyl-5-methyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 78000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484174 104154592 CHEMBL568967 ZINC45258603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156413 CN1C(N)=N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O InChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1 SVQNYPQKWMFQJJ-LJQANCHMSA-N 50300228 (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one::(R)-3-Methyl-5-cyclohexylethyl-5-cyclohexylmethyl-2-iminohydantoin::CHEMBL583178 Beta-secretase 1 Homo sapiens 605 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11232421 104154589 CHEMBL583178 ZINC34417080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156414 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCc3ccccc3)(CC(C)C)C2=O)cc1 InChI=1S/C28H39N5O2/c1-4-5-17-30-27(35)31-19-23-11-13-24(14-12-23)20-33-25(34)28(18-21(2)3,32-26(33)29)16-15-22-9-7-6-8-10-22/h6-14,21H,4-5,15-20H2,1-3H3,(H2,29,32)(H2,30,31,35) VASRCYVPCXINGR-UHFFFAOYSA-N 50300234 CHEMBL569427::rac-3-[(3-Butylureido)methyl]benzyl-5-isobutyl-5-phenethyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484135 104154595 CHEMBL569427 ZINC45260043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156415 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(C)(CC3CCCCC3)C2=O)cc1 InChI=1S/C24H37N5O2/c1-3-4-14-26-23(31)27-16-19-10-12-20(13-11-19)17-29-21(30)24(2,28-22(29)25)15-18-8-6-5-7-9-18/h10-13,18H,3-9,14-17H2,1-2H3,(H2,25,28)(H2,26,27,31) WDGLTZMAIOYGIK-UHFFFAOYSA-N 50300232 CHEMBL568968::rac-3-[(3-Butylureidomethyl)benzyl]-5-cyclohexylmethyl-5-methyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484175 104154593 CHEMBL568968 ZINC45258610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156416 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CC3CCCCC3)(CC3CCCCC3)C2=O)cc1 InChI=1S/C30H47N5O2/c1-2-3-18-32-29(37)33-21-25-14-16-26(17-15-25)22-35-27(36)30(34-28(35)31,19-23-10-6-4-7-11-23)20-24-12-8-5-9-13-24/h14-17,23-24H,2-13,18-22H2,1H3,(H2,31,34)(H2,32,33,37) MHTSJVOUZBIRNW-UHFFFAOYSA-N 50300233 CHEMBL571249::rac-3-[(3-Butylureido)methyl]benzyl-5,5-dicyclohexylmethyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484184 104154594 CHEMBL571249 ZINC45256941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156417 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1 InChI=1S/C31H49N5O2/c1-2-3-20-33-30(38)34-22-26-14-16-27(17-15-26)23-36-28(37)31(35-29(36)32,21-25-12-8-5-9-13-25)19-18-24-10-6-4-7-11-24/h14-17,24-25H,2-13,18-23H2,1H3,(H2,32,35)(H2,33,34,38) FXIAVDHDQYLVCR-UHFFFAOYSA-N 50300236 CHEMBL568942::rac-3-[(3-Butylureido)methyl]benzyl-5-cyclohexylethyl-5-cyclohexylmethyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11375895 104154597 CHEMBL568942 ZINC45254728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156418 CN1C(N)=N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O InChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1 SVQNYPQKWMFQJJ-LJQANCHMSA-N 50300228 (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one::(R)-3-Methyl-5-cyclohexylethyl-5-cyclohexylmethyl-2-iminohydantoin::CHEMBL583178 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11232421 104154589 CHEMBL583178 ZINC34417080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156419 CC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Nc3ccc(cc3)C#N)cc2)C1=O InChI=1S/C24H28N6O2/c1-16(2)12-24(3)21(31)30(22(26)29-24)15-19-6-4-18(5-7-19)14-27-23(32)28-20-10-8-17(13-25)9-11-20/h4-11,16H,12,14-15H2,1-3H3,(H2,26,29)(H2,27,28,32) CTKHUQYUPSHMQE-UHFFFAOYSA-N 50300230 CHEMBL584963::rac-3-{4-[3-(4-Cyanophenyl)-ureidomethyl]benzyl}-5-isobutyl-5-methyl-2-iminohydantoin Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484151 104154591 CHEMBL584963 ZINC45319618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156420 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 7100 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156421 CC(C)CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O InChI=1S/C15H20ClN3O/c1-10(2)8-15(3)13(20)19(14(17)18-15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H2,17,18) SMHLWQCDIJPLEC-UHFFFAOYSA-N 50300226 3-(3-Chlorobenzyl)-5-isobutyl-5-methyl-2-iminohydantoin::CHEMBL566306 Beta-secretase 1 Homo sapiens 123000 ChEMBL 10.1021/jm901408p 10.7270/Q26W9B4S 20043696 Zhu, Z; Sun, ZY; Ye, Y; Voigt, J; Strickland, C; Smith, EM; Cumming, J; Wang, L; Wong, J; Wang, YS; Wyss, DF; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Parker, E; McKittrick, BA; Stamford, A; Czarniecki, M; Greenlee, W; Hunter, JC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484144 104154587 CHEMBL566306 ZINC45245450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156422 CN(Cc1ccco1)Cc1cccc(CCc2cccnc2N)c1 InChI=1S/C20H23N3O/c1-23(15-19-8-4-12-24-19)14-17-6-2-5-16(13-17)9-10-18-7-3-11-22-20(18)21/h2-8,11-13H,9-10,14-15H2,1H3,(H2,21,22) PGBSGPMEMSPFFE-UHFFFAOYSA-N 50300239 3-(3-(((furan-2-ylmethyl)(methyl)amino)methyl)phenethyl)pyridin-2-amine::3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine::CHEMBL569654 Beta-secretase 1 Homo sapiens 250000 ChEMBL 10.1021/jm901472u 10.7270/Q2348KDC 20043700 Wang, YS; Strickland, C; Voigt, JH; Kennedy, ME; Beyer, BM; Senior, MM; Smith, EM; Nechuta, TL; Madison, VS; Czarniecki, M; McKittrick, BA; Stamford, AW; Parker, EM; Hunter, JC; Greenlee, WJ; Wyss, DF Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3TO 3KN0 44552610 104154600 CHEMBL569654 ZINC45260081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156423 CCC\C=C(/CC)CSC(N)=N InChI=1S/C9H18N2S/c1-3-5-6-8(4-2)7-12-9(10)11/h6H,3-5,7H2,1-2H3,(H3,10,11)/b8-6+ NNBAPEGAYISRJP-SOFGYWHQSA-N 50300238 2-ethylhex-2-enyl carbamimidothioate::CHEMBL575231 Beta-secretase 1 Homo sapiens 550000 ChEMBL 10.1021/jm901472u 10.7270/Q2348KDC 20043700 Wang, YS; Strickland, C; Voigt, JH; Kennedy, ME; Beyer, BM; Senior, MM; Smith, EM; Nechuta, TL; Madison, VS; Czarniecki, M; McKittrick, BA; Stamford, AW; Parker, EM; Hunter, JC; Greenlee, WJ; Wyss, DF Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45484279 104154599 CHEMBL575231 ZINC45300746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156424 CCCCOc1ccc(CSC(N)=N)cc1Cl InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) IONZMLSFEITLRK-UHFFFAOYSA-N 114543 (4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate;hydrochloride::(4-butoxy-3-chlorophenyl)methyl carbamimidothioate;hydrochloride::2-(4-Butoxy-3-chloro-benzyl)-isothiourea::2-(4-butoxy-3-chloro-benzyl)isothiourea;hydrochloride::CHEMBL568966::MLS001029844::SMR000427725::carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester;hydrochloride::cid_16681813 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1021/jm901472u 10.7270/Q2348KDC 20043700 Wang, YS; Strickland, C; Voigt, JH; Kennedy, ME; Beyer, BM; Senior, MM; Smith, EM; Nechuta, TL; Madison, VS; Czarniecki, M; McKittrick, BA; Stamford, AW; Parker, EM; Hunter, JC; Greenlee, WJ; Wyss, DF Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=114543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search G00 3KMX 1609819 252664042 CHEMBL568966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156425 CCCCOc1ccc(CSC(N)=N)cc1Cl InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) IONZMLSFEITLRK-UHFFFAOYSA-N 114543 (4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate;hydrochloride::(4-butoxy-3-chlorophenyl)methyl carbamimidothioate;hydrochloride::2-(4-Butoxy-3-chloro-benzyl)-isothiourea::2-(4-butoxy-3-chloro-benzyl)isothiourea;hydrochloride::CHEMBL568966::MLS001029844::SMR000427725::carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester;hydrochloride::cid_16681813 Beta-secretase 1 Homo sapiens 210000 ChEMBL 10.1021/jm901472u 10.7270/Q2348KDC 20043700 Wang, YS; Strickland, C; Voigt, JH; Kennedy, ME; Beyer, BM; Senior, MM; Smith, EM; Nechuta, TL; Madison, VS; Czarniecki, M; McKittrick, BA; Stamford, AW; Parker, EM; Hunter, JC; Greenlee, WJ; Wyss, DF Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=114543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search G00 3KMX 1609819 252664042 CHEMBL568966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50156426 Nc1ncccc1CCc1cccc(Cl)c1 InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16) XJCJGDOLNLEZIY-UHFFFAOYSA-N 50300240 3-(3-chlorophenethyl)pyridin-2-amine::3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine::CHEMBL575232 Beta-secretase 1 Homo sapiens 32000 ChEMBL 10.1021/jm901472u 10.7270/Q2348KDC 20043700 Wang, YS; Strickland, C; Voigt, JH; Kennedy, ME; Beyer, BM; Senior, MM; Smith, EM; Nechuta, TL; Madison, VS; Czarniecki, M; McKittrick, BA; Stamford, AW; Parker, EM; Hunter, JC; Greenlee, WJ; Wyss, DF Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search D8Y 3KMY 44552609 104154601 CHEMBL575232 ZINC44460347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154190 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(c2ccccc2)S(C)(=O)=O)C(C)N=O)c1 InChI=1S/C34H36F2N4O6S/c1-22(39-43)25-16-26(18-30(17-25)40(47(3,44)45)29-9-5-4-6-10-29)34(42)38-32(15-24-12-27(35)19-28(36)13-24)33(41)21-37-20-23-8-7-11-31(14-23)46-2/h4-14,16-19,22,32-33,37,41H,15,20-21H2,1-3H3,(H,38,42)/t22?,32-,33+/m0/s1 FSTKXFISTVXQAO-LSPGTCPQSA-N 50294640 CHEMBL553458::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(hydroxyimino)ethyl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90724237 104136171 CHEMBL553458 ZINC49639672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154192 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O InChI=1S/C32H40F2N4O6S/c1-6-10-44-37-21(2)24-15-25(17-28(16-24)38(3)45(5,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-8-7-9-29(13-22)43-4/h7-9,11-13,15-18,30-31,35,39H,6,10,14,19-20H2,1-5H3,(H,36,40)/b37-21-/t30-,31+/m0/s1 QXRYHWGTPQGAKD-TZUQGGKVSA-N 50294634 CHEMBL558894::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-methylmethylsulfonamido)-5-(1-(propoxyimino)ethyl)benzamide Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271474 104136165 CHEMBL558894 ZINC49650269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154193 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)N=O)c1 InChI=1S/C29H34F2N4O6S/c1-18(34-38)21-12-22(14-25(13-21)35(2)42(4,39)40)29(37)33-27(11-20-8-23(30)15-24(31)9-20)28(36)17-32-16-19-6-5-7-26(10-19)41-3/h5-10,12-15,18,27-28,32,36H,11,16-17H2,1-4H3,(H,33,37)/t18?,27-,28+/m0/s1 QUCVNWOYKYBASI-BVOUXSJDSA-N 50294632 CHEMBL540731::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(hydroxyimino)ethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91934245 104136163 CHEMBL540731 ZINC42920073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154195 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N(C)S(C)(=O)=O)c1 InChI=1S/C33H42F2N4O6S/c1-21(2)20-45-38-22(3)25-14-26(16-29(15-25)39(4)46(6,42)43)33(41)37-31(13-24-10-27(34)17-28(35)11-24)32(40)19-36-18-23-8-7-9-30(12-23)44-5/h7-12,14-17,21,31-32,36,40H,13,18-20H2,1-6H3,(H,37,41)/b38-22-/t31-,32+/m0/s1 QLDYDHDTENAFAF-NPDCHJBDSA-N 50294636 CHEMBL71151::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(isobutoxyimino)ethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 173 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270656 104136167 CHEMBL71151 ZINC49816761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154200 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C37H42F2N4O6S/c1-5-14-49-42-25(2)28-19-29(21-33(20-28)43(50(4,46)47)32-11-7-6-8-12-32)37(45)41-35(18-27-15-30(38)22-31(39)16-27)36(44)24-40-23-26-10-9-13-34(17-26)48-3/h6-13,15-17,19-22,35-36,40,44H,5,14,18,23-24H2,1-4H3,(H,41,45)/b42-25-/t35-,36+/m0/s1 XBWLJTOPNFHUQX-TUDOCBHASA-N 50294642 CHEMBL541739::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-phenylmethylsulfonamido)-5-(1-(propoxyimino)ethyl)benzamide Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270657 104136173 CHEMBL541739 ZINC49615927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154201 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(C)S(C)(=O)=O)c1 InChI=1S/C32H38F2N4O6S/c1-6-10-44-37-21(2)24-15-25(17-28(16-24)38(3)45(5,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-8-7-9-29(13-22)43-4/h6-9,11-13,15-18,30-31,35,39H,1,10,14,19-20H2,2-5H3,(H,36,40)/b37-21-/t30-,31+/m0/s1 CALKIYRQFCXOGT-TZUQGGKVSA-N 50294635 3-(1-(allyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL552323 Beta-secretase 1 Homo sapiens 363 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269828 104136166 CHEMBL552323 ZINC49639560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154187 CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H42F3N3O5/c1-4-13-44(14-5-2)38(47)28-19-27(20-34(21-28)49-32-11-9-29(39)10-12-32)37(46)43-35(18-26-15-30(40)22-31(41)16-26)36(45)24-42-23-25-7-6-8-33(17-25)48-3/h6-12,15-17,19-22,35-36,42,45H,4-5,13-14,18,23-24H2,1-3H3,(H,43,46)/t35-,36+/m0/s1 JETJWGUSWYCCER-MPQUPPDSSA-N 50294648 CHEMBL557554::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-fluorophenoxy)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271476 104136179 CHEMBL557554 ZINC49669685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154204 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)O)c1 InChI=1S/C31H37F2N3O6S/c1-20(37)23-14-24(16-27(15-23)36-8-3-4-9-43(36,40)41)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)42-2/h5-7,10-12,14-17,20,29-30,34,37-38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t20?,29-,30+/m0/s1 SUBPLMSAMVHRTE-ASEAFGBGSA-N 50294622 CHEMBL541977::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-(1-hydroxy-ethyl)-benzamide Beta-secretase 1 Homo sapiens 305 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45269826 104136153 CHEMBL541977 ZINC42967294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154205 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C32H39F2N3O4/c1-4-12-37(13-5-2)32(40)25-10-7-9-24(18-25)31(39)36-29(17-23-14-26(33)19-27(34)15-23)30(38)21-35-20-22-8-6-11-28(16-22)41-3/h6-11,14-16,18-19,29-30,35,38H,4-5,12-13,17,20-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1 YDTKXRCFWVLUOJ-XZWHSSHBSA-N 50294653 CHEMBL551980::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272371 104136184 CHEMBL551980 ZINC43021140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154206 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)O InChI=1S/C34H43F2N3O5/c1-5-10-39(11-6-2)34(43)27-17-25(22(3)40)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,22,31-32,37,40-41H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/t22?,31-,32+/m0/s1 ZCBJNEMWWSYHRK-SLXSLGHESA-N 50294660 CHEMBL539973::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-hydroxyethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16061967 104136191 CHEMBL539973 ZINC59747267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154208 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCc1ccccc1 InChI=1S/C41H48F2N4O5/c1-5-15-47(16-6-2)41(50)34-22-32(28(3)46-52-27-29-11-8-7-9-12-29)21-33(23-34)40(49)45-38(20-31-17-35(42)24-36(43)18-31)39(48)26-44-25-30-13-10-14-37(19-30)51-4/h7-14,17-19,21-24,38-39,44,48H,5-6,15-16,20,25-27H2,1-4H3,(H,45,49)/b46-28-/t38-,39+/m0/s1 RHTBDWUASNTDIZ-MLQUEILVSA-N 50294659 5-(1-(benzyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL539972 Beta-secretase 1 Homo sapiens 534 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272372 104136190 CHEMBL539972 ZINC49614429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154210 CCCN(CCC)C(=O)c1cc(CC(C)O)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C35H45F2N3O5/c1-5-10-40(11-6-2)35(44)28-14-25(12-23(3)41)13-27(19-28)34(43)39-32(18-26-15-29(36)20-30(37)16-26)33(42)22-38-21-24-8-7-9-31(17-24)45-4/h7-9,13-17,19-20,23,32-33,38,41-42H,5-6,10-12,18,21-22H2,1-4H3,(H,39,43)/t23?,32-,33+/m0/s1 ZJYJGAFCAQRJNY-OABUWRMSSA-N 50294661 CHEMBL552743::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2-hydroxypropyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272373 104136192 CHEMBL552743 ZINC70631561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154211 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)O)c1 InChI=1S/C36H38F3N3O5/c1-21(25-7-9-29(37)10-8-25)41-35(45)27-15-26(22(2)43)16-28(17-27)36(46)42-33(14-24-11-30(38)18-31(39)12-24)34(44)20-40-19-23-5-4-6-32(13-23)47-3/h4-13,15-18,21-22,33-34,40,43-44H,14,19-20H2,1-3H3,(H,41,45)(H,42,46)/t21?,22?,33-,34+/m0/s1 IXJVBGCZQGVESS-BOFRLJFLSA-N 50294617 CHEMBL556626::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)-5-(1-hydroxyethyl)isophthalamide Beta-secretase 1 Homo sapiens 164 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45272375 104136148 CHEMBL556626 ZINC96307596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154214 CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H43F2N3O6S/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)50(47,48)33-12-7-6-8-13-33)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-11-32(18-26)49-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1 SUHUZGDMCOOSBZ-MPQUPPDSSA-N 50294651 CHEMBL555436::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(phenylsulfonyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 148 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268972 104136182 CHEMBL555436 ZINC49650042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154222 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O InChI=1S/C34H42F2N4O6S/c1-4-11-46-39-23(2)26-17-27(19-30(18-26)40-10-5-6-12-47(40,43)44)34(42)38-32(16-25-13-28(35)20-29(36)14-25)33(41)22-37-21-24-8-7-9-31(15-24)45-3/h7-9,13-15,17-20,32-33,37,41H,4-6,10-12,16,21-22H2,1-3H3,(H,38,42)/b39-23-/t32-,33+/m0/s1 FBEUIWQATNZQON-BJNFDGMPSA-N 50294625 CHEMBL558946::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[propoxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 205 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268967 104136156 CHEMBL558946 ZINC49669760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154225 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N2CCCCS2(=O)=O)c1 InChI=1S/C38H42F2N4O6S/c1-26(43-50-25-27-9-4-3-5-10-27)30-19-31(21-34(20-30)44-13-6-7-14-51(44,47)48)38(46)42-36(18-29-15-32(39)22-33(40)16-29)37(45)24-41-23-28-11-8-12-35(17-28)49-2/h3-5,8-12,15-17,19-22,36-37,41,45H,6-7,13-14,18,23-25H2,1-2H3,(H,42,46)/b43-26-/t36-,37+/m0/s1 YBVRQIXRQLHGHQ-JKONGMBZSA-N 50294628 3-{1-[Benzyloxyimino]-ethyl}-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide::CHEMBL541738 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270653 104136159 CHEMBL541738 ZINC49615918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154226 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N2CCCCS2(=O)=O)c1 InChI=1S/C31H35F2N3O6S/c1-20(37)23-14-24(16-27(15-23)36-8-3-4-9-43(36,40)41)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)42-2/h5-7,10-12,14-17,29-30,34,38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t29-,30+/m0/s1 JHZYSXKIQWSRHE-XZWHSSHBSA-N 50294621 3-Acetyl-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide::CHEMBL555519 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270651 104136152 CHEMBL555519 ZINC42920775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154233 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N2CCCCS2(=O)=O)c1 InChI=1S/C38H42F2N4O6S/c1-26(43-50-25-27-9-4-3-5-10-27)30-19-31(21-34(20-30)44-13-6-7-14-51(44,47)48)38(46)42-36(18-29-15-32(39)22-33(40)16-29)37(45)24-41-23-28-11-8-12-35(17-28)49-2/h3-5,8-12,15-17,19-22,36-37,41,45H,6-7,13-14,18,23-25H2,1-2H3,(H,42,46)/b43-26-/t36-,37+/m0/s1 YBVRQIXRQLHGHQ-JKONGMBZSA-N 50294628 3-{1-[Benzyloxyimino]-ethyl}-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide::CHEMBL541738 Beta-secretase 1 Homo sapiens 821 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270653 104136159 CHEMBL541738 ZINC49615918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154236 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N2CCCCS2(=O)=O)c1 InChI=1S/C35H44F2N4O6S/c1-23(2)22-47-40-24(3)27-16-28(18-31(17-27)41-10-5-6-11-48(41,44)45)35(43)39-33(15-26-12-29(36)19-30(37)13-26)34(42)21-38-20-25-8-7-9-32(14-25)46-4/h7-9,12-14,16-19,23,33-34,38,42H,5-6,10-11,15,20-22H2,1-4H3,(H,39,43)/b40-24-/t33-,34+/m0/s1 JCUUWKUBIIMJSF-NLPFSADNSA-N 50294627 CHEMBL555520::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[isobutoxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 2098 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270652 104136158 CHEMBL555520 ZINC49639928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154237 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N2CCCCS2(=O)=O)c1 InChI=1S/C35H44F2N4O6S/c1-23(2)22-47-40-24(3)27-16-28(18-31(17-27)41-10-5-6-11-48(41,44)45)35(43)39-33(15-26-12-29(36)19-30(37)13-26)34(42)21-38-20-25-8-7-9-32(14-25)46-4/h7-9,12-14,16-19,23,33-34,38,42H,5-6,10-11,15,20-22H2,1-4H3,(H,39,43)/b40-24-/t33-,34+/m0/s1 JCUUWKUBIIMJSF-NLPFSADNSA-N 50294627 CHEMBL555520::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[isobutoxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 428 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270652 104136158 CHEMBL555520 ZINC49639928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154238 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C37H40F2N4O5/c1-23(27-10-6-5-7-11-27)41-36(45)29-17-28(24(2)43-48-4)18-30(19-29)37(46)42-34(16-26-13-31(38)20-32(39)14-26)35(44)22-40-21-25-9-8-12-33(15-25)47-3/h5-15,17-20,23,34-35,40,44H,16,21-22H2,1-4H3,(H,41,45)(H,42,46)/b43-24-/t23-,34+,35-/m1/s1 WAGGNBKFZGGVPT-PDKDETCUSA-N 50294613 CHEMBL558938::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(methoxyimino)ethyl)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271469 104136144 CHEMBL558938 ZINC49669727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154241 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N2CCCCS2(=O)=O)c1 InChI=1S/C31H35F2N3O6S/c1-20(37)23-14-24(16-27(15-23)36-8-3-4-9-43(36,40)41)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)42-2/h5-7,10-12,14-17,29-30,34,38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t29-,30+/m0/s1 JHZYSXKIQWSRHE-XZWHSSHBSA-N 50294621 3-Acetyl-N-[(1S,2R)-1-(3,5-difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-5-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide::CHEMBL555519 Beta-secretase 1 Homo sapiens 248 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270651 104136152 CHEMBL555519 ZINC42920775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154242 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)O)c1 InChI=1S/C36H39F2N3O5/c1-22(26-9-5-4-6-10-26)40-35(44)28-16-27(23(2)42)17-29(18-28)36(45)41-33(15-25-12-30(37)19-31(38)13-25)34(43)21-39-20-24-8-7-11-32(14-24)46-3/h4-14,16-19,22-23,33-34,39,42-43H,15,20-21H2,1-3H3,(H,40,44)(H,41,45)/t22-,23?,33+,34-/m1/s1 CCXLPKUGGVFGGS-AXHDALSLSA-N 50294612 CHEMBL553457::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-hydroxyethyl)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271468 104136143 CHEMBL553457 ZINC70631560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154248 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N2CCCCS2(=O)=O)c1 InChI=1S/C29H33F2N3O5S/c1-39-26-9-4-6-20(14-26)18-32-19-28(35)27(15-21-12-23(30)17-24(31)13-21)33-29(36)22-7-5-8-25(16-22)34-10-2-3-11-40(34,37)38/h4-9,12-14,16-17,27-28,32,35H,2-3,10-11,15,18-19H2,1H3,(H,33,36)/t27-,28+/m0/s1 NEMXZEGROCPRLB-WUFINQPMSA-N 50294620 CHEMBL550643::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270650 104136151 CHEMBL550643 ZINC43121932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154253 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N2CCCCS2(=O)=O)c1 InChI=1S/C29H33F2N3O5S/c1-39-26-9-4-6-20(14-26)18-32-19-28(35)27(15-21-12-23(30)17-24(31)13-21)33-29(36)22-7-5-8-25(16-22)34-10-2-3-11-40(34,37)38/h4-9,12-14,16-17,27-28,32,35H,2-3,10-11,15,18-19H2,1H3,(H,33,36)/t27-,28+/m0/s1 NEMXZEGROCPRLB-WUFINQPMSA-N 50294620 CHEMBL550643::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzamide Beta-secretase 1 Homo sapiens 182 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270650 104136151 CHEMBL550643 ZINC43121932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154265 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N InChI=1S/C34H44F2N4O4/c1-5-10-40(11-6-2)34(43)27-17-25(22(3)37)16-26(18-27)33(42)39-31(15-24-12-28(35)19-29(36)13-24)32(41)21-38-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,22,31-32,38,41H,5-6,10-11,15,20-21,37H2,1-4H3,(H,39,42)/t22?,31-,32+/m0/s1 HENCXFZEUKJRBP-SLXSLGHESA-N 50294608 5-(1-aminoethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL553456 Beta-secretase 1 Homo sapiens 123 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271467 104136139 CHEMBL553456 ZINC70631559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154266 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC(C)C InChI=1S/C38H50F2N4O5/c1-7-12-44(13-8-2)38(47)31-19-29(26(5)43-49-24-25(3)4)18-30(20-31)37(46)42-35(17-28-14-32(39)21-33(40)15-28)36(45)23-41-22-27-10-9-11-34(16-27)48-6/h9-11,14-16,18-21,25,35-36,41,45H,7-8,12-13,17,22-24H2,1-6H3,(H,42,46)/b43-26-/t35-,36+/m0/s1 VBJUCOJBBOEXIG-VFMGFIPGSA-N 50294658 CHEMBL540730::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(isobutoxyimino)ethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271466 104136189 CHEMBL540730 ZINC49615014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154267 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)N=O)c1 InChI=1S/C29H34F2N4O6S/c1-18(34-38)21-12-22(14-25(13-21)35(2)42(4,39)40)29(37)33-27(11-20-8-23(30)15-24(31)9-20)28(36)17-32-16-19-6-5-7-26(10-19)41-3/h5-10,12-15,18,27-28,32,36H,11,16-17H2,1-4H3,(H,33,37)/t18?,27-,28+/m0/s1 QUCVNWOYKYBASI-BVOUXSJDSA-N 50294632 CHEMBL540731::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(hydroxyimino)ethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 429 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91934245 104136163 CHEMBL540731 ZINC42920073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154268 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O InChI=1S/C32H40F2N4O6S/c1-6-10-44-37-21(2)24-15-25(17-28(16-24)38(3)45(5,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-8-7-9-29(13-22)43-4/h7-9,11-13,15-18,30-31,35,39H,6,10,14,19-20H2,1-5H3,(H,36,40)/b37-21-/t30-,31+/m0/s1 QXRYHWGTPQGAKD-TZUQGGKVSA-N 50294634 CHEMBL558894::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-methylmethylsulfonamido)-5-(1-(propoxyimino)ethyl)benzamide Beta-secretase 1 Homo sapiens 217 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271474 104136165 CHEMBL558894 ZINC49650269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154269 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(c2ccccc2)S(C)(=O)=O)C(C)N=O)c1 InChI=1S/C34H36F2N4O6S/c1-22(39-43)25-16-26(18-30(17-25)40(47(3,44)45)29-9-5-4-6-10-29)34(42)38-32(15-24-12-27(35)19-28(36)13-24)33(41)21-37-20-23-8-7-11-31(14-23)46-2/h4-14,16-19,22,32-33,37,41H,15,20-21H2,1-3H3,(H,38,42)/t22?,32-,33+/m0/s1 FSTKXFISTVXQAO-LSPGTCPQSA-N 50294640 CHEMBL553458::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(hydroxyimino)ethyl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 91 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90724237 104136171 CHEMBL553458 ZINC49639672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154270 CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H42F3N3O5/c1-4-13-44(14-5-2)38(47)28-19-27(20-34(21-28)49-32-11-9-29(39)10-12-32)37(46)43-35(18-26-15-30(40)22-31(41)16-26)36(45)24-42-23-25-7-6-8-33(17-25)48-3/h6-12,15-17,19-22,35-36,42,45H,4-5,13-14,18,23-24H2,1-3H3,(H,43,46)/t35-,36+/m0/s1 JETJWGUSWYCCER-MPQUPPDSSA-N 50294648 CHEMBL557554::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-fluorophenoxy)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 94 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271476 104136179 CHEMBL557554 ZINC49669685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154271 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(\C)=N/OCC=C)c1 InChI=1S/C39H41F3N4O5/c1-5-13-51-46-25(3)29-18-30(38(48)44-24(2)28-9-11-32(40)12-10-28)20-31(19-29)39(49)45-36(17-27-14-33(41)21-34(42)15-27)37(47)23-43-22-26-7-6-8-35(16-26)50-4/h5-12,14-16,18-21,24,36-37,43,47H,1,13,17,22-23H2,2-4H3,(H,44,48)(H,45,49)/b46-25-/t24?,36-,37+/m0/s1 PIARWSPEDHQQNY-HYAUKLNUSA-N 50294619 5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide::CHEMBL555518 Beta-secretase 1 Homo sapiens 168 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270646 104136150 CHEMBL555518 ZINC49639923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154272 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H40F2N4O6S/c1-24(41-48-23-25-9-6-5-7-10-25)28-17-29(19-32(18-28)42(2)49(4,45)46)36(44)40-34(16-27-13-30(37)20-31(38)14-27)35(43)22-39-21-26-11-8-12-33(15-26)47-3/h5-15,17-20,34-35,39,43H,16,21-23H2,1-4H3,(H,40,44)/b41-24-/t34-,35+/m0/s1 LYVMHNNDJFSBDO-BFBYKYGFSA-N 50294637 3-(1-(benzyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL550271 Beta-secretase 1 Homo sapiens >333 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273255 104136168 CHEMBL550271 ZINC49639370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154273 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OC InChI=1S/C35H44F2N4O5/c1-6-11-41(12-7-2)35(44)28-18-26(23(3)40-46-5)17-27(19-28)34(43)39-32(16-25-13-29(36)20-30(37)14-25)33(42)22-38-21-24-9-8-10-31(15-24)45-4/h8-10,13-15,17-20,32-33,38,42H,6-7,11-12,16,21-22H2,1-5H3,(H,39,43)/b40-23-/t32-,33+/m0/s1 HTDGFRNLFBYUEO-VOXCCCEESA-N 50294656 CHEMBL555517::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(methoxyimino)ethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44189143 104136187 CHEMBL555517 ZINC43017624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154274 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC=C InChI=1S/C37H46F2N4O5/c1-6-12-43(13-7-2)37(46)30-20-28(25(4)42-48-14-8-3)19-29(21-30)36(45)41-34(18-27-15-31(38)22-32(39)16-27)35(44)24-40-23-26-10-9-11-33(17-26)47-5/h8-11,15-17,19-22,34-35,40,44H,3,6-7,12-14,18,23-24H2,1-2,4-5H3,(H,41,45)/b42-25-/t34-,35+/m0/s1 QEBHUOACLHWAEG-IVSHIFORSA-N 50294657 5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL541736 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270645 104136188 CHEMBL541736 ZINC49615904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154275 CCCN(CCC)C(=O)c1cc(CCO)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C34H43F2N3O5/c1-4-10-39(11-5-2)34(43)27-14-23(9-12-40)13-26(19-27)33(42)38-31(18-25-15-28(35)20-29(36)16-25)32(41)22-37-21-24-7-6-8-30(17-24)44-3/h6-8,13-17,19-20,31-32,37,40-41H,4-5,9-12,18,21-22H2,1-3H3,(H,38,42)/t31-,32+/m0/s1 HYIFLHYYKUNIJV-AJQTZOPKSA-N 50294662 CHEMBL539465::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2-hydroxyethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273242 104136193 CHEMBL539465 ZINC42966542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154276 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C37H42F2N4O6S/c1-5-14-49-42-25(2)28-19-29(21-33(20-28)43(50(4,46)47)32-11-7-6-8-12-32)37(45)41-35(18-27-15-30(38)22-31(39)16-27)36(44)24-40-23-26-10-9-13-34(17-26)48-3/h6-13,15-17,19-22,35-36,40,44H,5,14,18,23-24H2,1-4H3,(H,41,45)/b42-25-/t35-,36+/m0/s1 XBWLJTOPNFHUQX-TUDOCBHASA-N 50294642 CHEMBL541739::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-phenylmethylsulfonamido)-5-(1-(propoxyimino)ethyl)benzamide Beta-secretase 1 Homo sapiens 184 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270657 104136173 CHEMBL541739 ZINC49615927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154277 CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H43F2N3O4S/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)48-33-12-7-6-8-13-33)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-11-32(18-26)47-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1 ZJTTUPATNKQEFG-MPQUPPDSSA-N 50294649 CHEMBL557267::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(phenylthio)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens >333 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273257 104136180 CHEMBL557267 ZINC49650187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154278 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)NC(C)=O InChI=1S/C36H46F2N4O5/c1-6-11-42(12-7-2)36(46)29-18-27(23(3)40-24(4)43)17-28(19-29)35(45)41-33(16-26-13-30(37)20-31(38)14-26)34(44)22-39-21-25-9-8-10-32(15-25)47-5/h8-10,13-15,17-20,23,33-34,39,44H,6-7,11-12,16,21-22H2,1-5H3,(H,40,43)(H,41,45)/t23?,33-,34+/m0/s1 UGBSEOTXZMYIEQ-FEYGOSSJSA-N 50294609 5-(1-acetamidoethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL539466 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273243 104136140 CHEMBL539466 ZINC58589828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154279 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N(C)S(C)(=O)=O)c1 InChI=1S/C33H42F2N4O6S/c1-21(2)20-45-38-22(3)25-14-26(16-29(15-25)39(4)46(6,42)43)33(41)37-31(13-24-10-27(34)17-28(35)11-24)32(40)19-36-18-23-8-7-9-30(12-23)44-5/h7-12,14-17,21,31-32,36,40H,13,18-20H2,1-6H3,(H,37,41)/b38-22-/t31-,32+/m0/s1 QLDYDHDTENAFAF-NPDCHJBDSA-N 50294636 CHEMBL71151::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(isobutoxyimino)ethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens >666 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270656 104136167 CHEMBL71151 ZINC49816761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154280 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(\C)=N/OCC=C)c1 InChI=1S/C39H42F2N4O5/c1-5-14-50-45-26(3)30-19-31(38(47)43-25(2)29-11-7-6-8-12-29)21-32(20-30)39(48)44-36(18-28-15-33(40)22-34(41)16-28)37(46)24-42-23-27-10-9-13-35(17-27)49-4/h5-13,15-17,19-22,25,36-37,42,46H,1,14,18,23-24H2,2-4H3,(H,43,47)(H,44,48)/b45-26-/t25-,36+,37-/m1/s1 BEBBWNXNDVSPEC-UPRFYVTDSA-N 50294614 5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide::CHEMBL553424 Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273244 104136145 CHEMBL553424 ZINC49639666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154281 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)NC(C)c1ccc(F)cc1 InChI=1S/C37H39F3N4O5/c1-22(26-8-10-30(38)11-9-26)42-36(46)28-16-27(23(2)44-49-4)17-29(18-28)37(47)43-34(15-25-12-31(39)19-32(40)13-25)35(45)21-41-20-24-6-5-7-33(14-24)48-3/h5-14,16-19,22,34-35,41,45H,15,20-21H2,1-4H3,(H,42,46)(H,43,47)/b44-23-/t22?,34-,35+/m0/s1 DMNRRHNNMFCWGH-UILNDYLZSA-N 50294618 CHEMBL539467::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)-5-(1-(methoxyimino)ethyl)isophthalamide Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273245 104136149 CHEMBL539467 ZINC49615244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154282 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC(C)C InChI=1S/C38H50F2N4O5/c1-7-12-44(13-8-2)38(47)31-19-29(26(5)43-49-24-25(3)4)18-30(20-31)37(46)42-35(17-28-14-32(39)21-33(40)15-28)36(45)23-41-22-27-10-9-11-34(16-27)48-6/h9-11,14-16,18-21,25,35-36,41,45H,7-8,12-13,17,22-24H2,1-6H3,(H,42,46)/b43-26-/t35-,36+/m0/s1 VBJUCOJBBOEXIG-VFMGFIPGSA-N 50294658 CHEMBL540730::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(isobutoxyimino)ethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 367 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271466 104136189 CHEMBL540730 ZINC49615014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154283 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N InChI=1S/C34H44F2N4O4/c1-5-10-40(11-6-2)34(43)27-17-25(22(3)37)16-26(18-27)33(42)39-31(15-24-12-28(35)19-29(36)13-24)32(41)21-38-20-23-8-7-9-30(14-23)44-4/h7-9,12-14,16-19,22,31-32,38,41H,5-6,10-11,15,20-21,37H2,1-4H3,(H,39,42)/t22?,31-,32+/m0/s1 HENCXFZEUKJRBP-SLXSLGHESA-N 50294608 5-(1-aminoethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL553456 Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271467 104136139 CHEMBL553456 ZINC70631559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154284 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)O)c1 InChI=1S/C36H39F2N3O5/c1-22(26-9-5-4-6-10-26)40-35(44)28-16-27(23(2)42)17-29(18-28)36(45)41-33(15-25-12-30(37)19-31(38)13-25)34(43)21-39-20-24-8-7-11-32(14-24)46-3/h4-14,16-19,22-23,33-34,39,42-43H,15,20-21H2,1-3H3,(H,40,44)(H,41,45)/t22-,23?,33+,34-/m1/s1 CCXLPKUGGVFGGS-AXHDALSLSA-N 50294612 CHEMBL553457::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-hydroxyethyl)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 92 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271468 104136143 CHEMBL553457 ZINC70631560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154285 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C37H40F2N4O5/c1-23(27-10-6-5-7-11-27)41-36(45)29-17-28(24(2)43-48-4)18-30(19-29)37(46)42-34(16-26-13-31(38)20-32(39)14-26)35(44)22-40-21-25-9-8-12-33(15-25)47-3/h5-15,17-20,23,34-35,40,44H,16,21-22H2,1-4H3,(H,41,45)(H,42,46)/b43-24-/t23-,34+,35-/m1/s1 WAGGNBKFZGGVPT-PDKDETCUSA-N 50294613 CHEMBL558938::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(methoxyimino)ethyl)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45271469 104136144 CHEMBL558938 ZINC49669727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154286 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1 JEEOUWBWJFSMIP-IOWSJCHKSA-N 15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS5 3L58,2QK5 9916309 46516083 ZINC03965949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154287 CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O6/c1-5-14-44(15-6-2)39(47)29-20-28(21-35(22-29)50-33-12-10-32(48-3)11-13-33)38(46)43-36(19-27-16-30(40)23-31(41)17-27)37(45)25-42-24-26-8-7-9-34(18-26)49-4/h7-13,16-18,20-23,36-37,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t36-,37+/m0/s1 DUCYMHLZJLVIHD-PQQNNWGCSA-N 50294646 CHEMBL539654::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-methoxyphenoxy)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 412 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268101 104136177 CHEMBL539654 ZINC49615271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154288 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C32H33F2N3O5S/c1-42-29-13-6-8-22(16-29)20-35-21-31(38)30(17-23-14-25(33)19-26(34)15-23)36-32(39)24-9-7-12-28(18-24)37(43(2,40)41)27-10-4-3-5-11-27/h3-16,18-19,30-31,35,38H,17,20-21H2,1-2H3,(H,36,39)/t30-,31+/m0/s1 BIJXPMYPYGZKDW-IOWSJCHKSA-N 50294638 CHEMBL539653::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268099 104136169 CHEMBL539653 ZINC42966360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154289 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C41H42F2N4O6S/c1-28(46-53-27-29-11-6-4-7-12-29)32-21-33(23-37(22-32)47(54(3,50)51)36-14-8-5-9-15-36)41(49)45-39(20-31-17-34(42)24-35(43)18-31)40(48)26-44-25-30-13-10-16-38(19-30)52-2/h4-19,21-24,39-40,44,48H,20,25-27H2,1-3H3,(H,45,49)/b46-28-/t39-,40+/m0/s1 PNMMECGLBBLQDQ-VHNZTDDISA-N 50294644 3-((Z)-1-(benzyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL555916 Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268100 104136175 CHEMBL555916 ZINC95535735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154290 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C41H42F2N4O6S/c1-28(46-53-27-29-11-6-4-7-12-29)32-21-33(23-37(22-32)47(54(3,50)51)36-14-8-5-9-15-36)41(49)45-39(20-31-17-34(42)24-35(43)18-31)40(48)26-44-25-30-13-10-16-38(19-30)52-2/h4-19,21-24,39-40,44,48H,20,25-27H2,1-3H3,(H,45,49)/b46-28-/t39-,40+/m0/s1 PNMMECGLBBLQDQ-VHNZTDDISA-N 50294644 3-((Z)-1-(benzyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL555916 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268100 104136175 CHEMBL555916 ZINC95535735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154291 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C32H33F2N3O5S/c1-42-29-13-6-8-22(16-29)20-35-21-31(38)30(17-23-14-25(33)19-26(34)15-23)36-32(39)24-9-7-12-28(18-24)37(43(2,40)41)27-10-4-3-5-11-27/h3-16,18-19,30-31,35,38H,17,20-21H2,1-2H3,(H,36,39)/t30-,31+/m0/s1 BIJXPMYPYGZKDW-IOWSJCHKSA-N 50294638 CHEMBL539653::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 137 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268099 104136169 CHEMBL539653 ZINC42966360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154292 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)O)c1 InChI=1S/C29H35F2N3O6S/c1-18(35)21-12-22(14-25(13-21)34(2)41(4,38)39)29(37)33-27(11-20-8-23(30)15-24(31)9-20)28(36)17-32-16-19-6-5-7-26(10-19)40-3/h5-10,12-15,18,27-28,32,35-36H,11,16-17H2,1-4H3,(H,33,37)/t18?,27-,28+/m0/s1 AOHCVFKYUINLAB-BVOUXSJDSA-N 50294631 CHEMBL560711::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-hydroxyethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 122 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268098 104136162 CHEMBL560711 ZINC43073446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154293 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)O)c1 InChI=1S/C29H35F2N3O6S/c1-18(35)21-12-22(14-25(13-21)34(2)41(4,38)39)29(37)33-27(11-20-8-23(30)15-24(31)9-20)28(36)17-32-16-19-6-5-7-26(10-19)40-3/h5-10,12-15,18,27-28,32,35-36H,11,16-17H2,1-4H3,(H,33,37)/t18?,27-,28+/m0/s1 AOHCVFKYUINLAB-BVOUXSJDSA-N 50294631 CHEMBL560711::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-hydroxyethyl)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268098 104136162 CHEMBL560711 ZINC43073446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154294 CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O6/c1-5-14-44(15-6-2)39(47)29-20-28(21-35(22-29)50-33-12-10-32(48-3)11-13-33)38(46)43-36(19-27-16-30(40)23-31(41)17-27)37(45)25-42-24-26-8-7-9-34(18-26)49-4/h7-13,16-18,20-23,36-37,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t36-,37+/m0/s1 DUCYMHLZJLVIHD-PQQNNWGCSA-N 50294646 CHEMBL539654::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-methoxyphenoxy)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268101 104136177 CHEMBL539654 ZINC49615271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154295 CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O5S/c1-5-14-44(15-6-2)39(47)29-20-28(21-35(22-29)50-34-12-10-32(48-3)11-13-34)38(46)43-36(19-27-16-30(40)23-31(41)17-27)37(45)25-42-24-26-8-7-9-33(18-26)49-4/h7-13,16-18,20-23,36-37,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t36-,37+/m0/s1 DBNURGUCIBRASG-PQQNNWGCSA-N 50294650 CHEMBL553571::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-methoxyphenylthio)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268102 104136181 CHEMBL553571 ZINC49650231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154296 CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C39H45F2N3O5S/c1-5-14-44(15-6-2)39(47)29-20-28(21-35(22-29)50-34-12-10-32(48-3)11-13-34)38(46)43-36(19-27-16-30(40)23-31(41)17-27)37(45)25-42-24-26-8-7-9-33(18-26)49-4/h7-13,16-18,20-23,36-37,42,45H,5-6,14-15,19,24-25H2,1-4H3,(H,43,46)/t36-,37+/m0/s1 DBNURGUCIBRASG-PQQNNWGCSA-N 50294650 CHEMBL553571::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(4-methoxyphenylthio)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45268102 104136181 CHEMBL553571 ZINC49650231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154297 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(C)S(C)(=O)=O)c1 InChI=1S/C27H31F2N3O5S/c1-32(38(3,35)36)23-8-5-7-20(14-23)27(34)31-25(13-19-10-21(28)15-22(29)11-19)26(33)17-30-16-18-6-4-9-24(12-18)37-2/h4-12,14-15,25-26,30,33H,13,16-17H2,1-3H3,(H,31,34)/t25-,26+/m0/s1 WMDLKMJFPVHZPM-IZZNHLLZSA-N 50294629 CHEMBL563604::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273251 104136160 CHEMBL563604 ZINC43061912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154298 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)N=O)c1 InChI=1S/C31H36F2N4O6S/c1-20(36-40)23-14-24(16-27(15-23)37-8-3-4-9-44(37,41)42)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)43-2/h5-7,10-12,14-17,20,29-30,34,38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t20?,29-,30+/m0/s1 HBVYEBDIKRTNMM-ASEAFGBGSA-N 50294623 CHEMBL557352::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[hydroxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91934244 104136154 CHEMBL557352 ZINC43024248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154299 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)N=O)c1 InChI=1S/C31H36F2N4O6S/c1-20(36-40)23-14-24(16-27(15-23)37-8-3-4-9-44(37,41)42)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)43-2/h5-7,10-12,14-17,20,29-30,34,38H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/t20?,29-,30+/m0/s1 HBVYEBDIKRTNMM-ASEAFGBGSA-N 50294623 CHEMBL557352::N-[(1S,2R)-1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(3-methoxy-benzylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-{1-[hydroxyimino]-ethyl}-benzamide Beta-secretase 1 Homo sapiens 117 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91934244 104136154 CHEMBL557352 ZINC43024248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154301 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(C)S(C)(=O)=O)c1 InChI=1S/C27H31F2N3O5S/c1-32(38(3,35)36)23-8-5-7-20(14-23)27(34)31-25(13-19-10-21(28)15-22(29)11-19)26(33)17-30-16-18-6-4-9-24(12-18)37-2/h4-12,14-15,25-26,30,33H,13,16-17H2,1-3H3,(H,31,34)/t25-,26+/m0/s1 WMDLKMJFPVHZPM-IZZNHLLZSA-N 50294629 CHEMBL563604::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273251 104136160 CHEMBL563604 ZINC43061912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154303 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(\C)=N/OCC=C)c1 InChI=1S/C39H41F3N4O5/c1-5-13-51-46-25(3)29-18-30(38(48)44-24(2)28-9-11-32(40)12-10-28)20-31(19-29)39(49)45-36(17-27-14-33(41)21-34(42)15-27)37(47)23-43-22-26-7-6-8-35(16-26)50-4/h5-12,14-16,18-21,24,36-37,43,47H,1,13,17,22-23H2,2-4H3,(H,44,48)(H,45,49)/b46-25-/t24?,36-,37+/m0/s1 PIARWSPEDHQQNY-HYAUKLNUSA-N 50294619 5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide::CHEMBL555518 Beta-secretase 1 Homo sapiens 530 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270646 104136150 CHEMBL555518 ZINC49639923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154307 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC=C InChI=1S/C37H46F2N4O5/c1-6-12-43(13-7-2)37(46)30-20-28(25(4)42-48-14-8-3)19-29(21-30)36(45)41-34(18-27-15-31(38)22-32(39)16-27)35(44)24-40-23-26-10-9-11-33(17-26)47-5/h8-11,15-17,19-22,34-35,40,44H,3,6-7,12-14,18,23-24H2,1-2,4-5H3,(H,41,45)/b42-25-/t34-,35+/m0/s1 QEBHUOACLHWAEG-IVSHIFORSA-N 50294657 5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL541736 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45270645 104136188 CHEMBL541736 ZINC49615904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154308 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H40F2N4O6S/c1-24(41-48-23-25-9-6-5-7-10-25)28-17-29(19-32(18-28)42(2)49(4,45)46)36(44)40-34(16-27-13-30(37)20-31(38)14-27)35(43)22-39-21-26-11-8-12-33(15-26)47-3/h5-15,17-20,34-35,39,43H,16,21-23H2,1-4H3,(H,40,44)/b41-24-/t34-,35+/m0/s1 LYVMHNNDJFSBDO-BFBYKYGFSA-N 50294637 3-(1-(benzyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL550271 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273255 104136168 CHEMBL550271 ZINC49639370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154309 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OC InChI=1S/C35H44F2N4O5/c1-6-11-41(12-7-2)35(44)28-18-26(23(3)40-46-5)17-27(19-28)34(43)39-32(16-25-13-29(36)20-30(37)14-25)33(42)22-38-21-24-9-8-10-31(15-24)45-4/h8-10,13-15,17-20,32-33,38,42H,6-7,11-12,16,21-22H2,1-5H3,(H,39,43)/b40-23-/t32-,33+/m0/s1 HTDGFRNLFBYUEO-VOXCCCEESA-N 50294656 CHEMBL555517::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(methoxyimino)ethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44189143 104136187 CHEMBL555517 ZINC43017624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154310 CCCN(CCC)C(=O)c1cc(CCO)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C34H43F2N3O5/c1-4-10-39(11-5-2)34(43)27-14-23(9-12-40)13-26(19-27)33(42)38-31(18-25-15-28(35)20-29(36)16-25)32(41)22-37-21-24-7-6-8-30(17-24)44-3/h6-8,13-17,19-20,31-32,37,40-41H,4-5,9-12,18,21-22H2,1-3H3,(H,38,42)/t31-,32+/m0/s1 HYIFLHYYKUNIJV-AJQTZOPKSA-N 50294662 CHEMBL539465::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(2-hydroxyethyl)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273242 104136193 CHEMBL539465 ZINC42966542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154312 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)NC(C)=O InChI=1S/C36H46F2N4O5/c1-6-11-42(12-7-2)36(46)29-18-27(23(3)40-24(4)43)17-28(19-29)35(45)41-33(16-26-13-30(37)20-31(38)14-26)34(44)22-39-21-25-9-8-10-32(15-25)47-5/h8-10,13-15,17-20,23,33-34,39,44H,6-7,11-12,16,21-22H2,1-5H3,(H,40,43)(H,41,45)/t23?,33-,34+/m0/s1 UGBSEOTXZMYIEQ-FEYGOSSJSA-N 50294609 5-(1-acetamidoethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide::CHEMBL539466 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273243 104136140 CHEMBL539466 ZINC58589828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154315 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N\OCC(C)C)N(c2ccccc2)S(C)(=O)=O)c1 InChI=1S/C38H44F2N4O6S/c1-25(2)24-50-43-26(3)29-18-30(20-34(19-29)44(51(5,47)48)33-11-7-6-8-12-33)38(46)42-36(17-28-14-31(39)21-32(40)15-28)37(45)23-41-22-27-10-9-13-35(16-27)49-4/h6-16,18-21,25,36-37,41,45H,17,22-24H2,1-5H3,(H,42,46)/b43-26+/t36-,37+/m0/s1 WOHASPTUMGHGNJ-ULSMIBBESA-N 50294664 CHEMBL539468::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-3-(1-(isobutoxyimino)ethyl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 242 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273256 104136195 CHEMBL539468 ZINC49615255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154316 CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C38H43F2N3O4S/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)48-33-12-7-6-8-13-33)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-11-32(18-26)47-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1 ZJTTUPATNKQEFG-MPQUPPDSSA-N 50294649 CHEMBL557267::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(phenylthio)-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273257 104136180 CHEMBL557267 ZINC49650187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154317 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(\C)=N/OCC=C)c1 InChI=1S/C39H42F2N4O5/c1-5-14-50-45-26(3)30-19-31(38(47)43-25(2)29-11-7-6-8-12-29)21-32(20-30)39(48)44-36(18-28-15-33(40)22-34(41)16-28)37(46)24-42-23-27-10-9-13-35(17-27)49-4/h5-13,15-17,19-22,25,36-37,42,46H,1,14,18,23-24H2,2-4H3,(H,43,47)(H,44,48)/b45-26-/t25-,36+,37-/m1/s1 BEBBWNXNDVSPEC-UPRFYVTDSA-N 50294614 5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide::CHEMBL553424 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273244 104136145 CHEMBL553424 ZINC49639666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50154320 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)NC(C)c1ccc(F)cc1 InChI=1S/C37H39F3N4O5/c1-22(26-8-10-30(38)11-9-26)42-36(46)28-16-27(23(2)44-49-4)17-29(18-28)37(47)43-34(15-25-12-31(39)19-32(40)13-25)35(45)21-41-20-24-6-5-7-33(14-24)48-3/h5-14,16-19,22,34-35,41,45H,15,20-21H2,1-4H3,(H,42,46)(H,43,47)/b44-23-/t22?,34-,35+/m0/s1 DMNRRHNNMFCWGH-UILNDYLZSA-N 50294618 CHEMBL539467::N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)-5-(1-(methoxyimino)ethyl)isophthalamide Beta-secretase 1 Homo sapiens 276 ChEMBL 10.1016/j.bmcl.2009.03.144 10.7270/Q2ZW1KZ7 19375914 Wu, YJ; Zhang, Y; Good, AC; Burton, CR; Toyn, JH; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45273245 104136149 CHEMBL539467 ZINC49615244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50165270 CC(C)C(\C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O)C(C)C InChI=1S/C30H52O12S3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,17-28H,10-16H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-3/b9-8-/t19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1 ZWIWIZWZKQFDCL-OHVGJZEWSA-K 50325981 CHEMBL1224769::Topsentinol K Trisulfate Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/np100374b 10.7270/Q28K799C 20806907 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933376 117647302 CHEMBL1224769 C02000 ZINC72128687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169571 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CO)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C24H37N5O8/c1-12(2)8-17(28-23(35)19(13(3)4)29-20(32)16(25)11-30)21(33)26-10-18(31)22(34)27-15-7-5-6-14(9-15)24(36)37/h5-7,9,12-13,16-19,30-31H,8,10-11,25H2,1-4H3,(H,26,33)(H,27,34)(H,28,35)(H,29,32)(H,36,37)/t16-,17+,18?,19+/m1/s1 CVCMYSSQFCMBLO-HFIAIYGTSA-N 50333394 3-(3-{(S)-2-[(S)-2-((R)-2-Amino-3-hydroxy-propionylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-2-hydroxy-propionylamino)-benzoic acid::CHEMBL1645520 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53320786 125083496 CHEMBL1645520 ZINC66260168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169572 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CN)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C32H46N6O7/c1-19(2)15-25(37-29(41)26(20(3)4)38-27(39)24(34)17-33)28(40)35-18-32(45,14-13-21-9-6-5-7-10-21)31(44)36-23-12-8-11-22(16-23)30(42)43/h5-12,16,19-20,24-26,45H,13-15,17-18,33-34H2,1-4H3,(H,35,40)(H,36,44)(H,37,41)(H,38,39)(H,42,43)/t24-,25-,26-,32?/m0/s1 XKAJTRPLJNKTDZ-NXZABHCTSA-N 50333413 3-[2-({(S)-2-[(S)-2-((S)-2,3-Diamino-propionylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-methyl)-2-hydroxy-4-phenyl-butyrylamino]-benzoic acid::CHEMBL1645514 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53316829 125083515 CHEMBL1645514 ZINC66259294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169573 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C34H45N9O9/c1-19(2)15-24(37-30(47)26(20(3)4)39-29(46)25(17-44)38-31(48)27-40-42-43-41-27)28(45)35-18-34(52,14-13-21-9-6-5-7-10-21)33(51)36-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,44,52H,13-15,17-18H2,1-4H3,(H,35,45)(H,36,51)(H,37,47)(H,38,48)(H,39,46)(H,49,50)(H,40,41,42,43)/t24-,25+,26-,34?/m0/s1 AISQVLNZANDVCA-HBAQYOFBSA-N 50333389 3-(2-Hydroxy-2-{[(S)-2-((S)-2-{(R)-3-hydroxy-2-[(2Htetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645515 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53321657 125083491 CHEMBL1645515 C06396 ZINC72115345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169574 CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C35H48N10O8/c1-20(2)15-27(40-28(46)17-26(21(3)4)41-30(47)25(36)18-37-32(49)29-42-44-45-43-29)31(48)38-19-35(53,14-13-22-9-6-5-7-10-22)34(52)39-24-12-8-11-23(16-24)33(50)51/h5-12,16,20-21,25-27,53H,13-15,17-19,36H2,1-4H3,(H,37,49)(H,38,48)(H,39,52)(H,40,46)(H,41,47)(H,50,51)(H,42,43,44,45)/t25-,26+,27-,35?/m0/s1 FCMRDIVHLZWYIZ-RPORQFSASA-N 50333411 3-(2-{[(S)-2-((R)-3-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645512 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322098 125083513 CHEMBL1645512 ZINC72120292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169575 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25+,26+,34?/m1/s1 FZZOBXKGDCMGAL-RHJKXCITSA-N 50333412 3-(2-{[(S)-2-((S)-2-{(R)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645513 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53324767 125083514 CHEMBL1645513 ZINC72113983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169576 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C34H45N9O9/c1-19(2)15-24(37-30(47)26(20(3)4)39-29(46)25(17-44)38-31(48)27-40-42-43-41-27)28(45)35-18-34(52,14-13-21-9-6-5-7-10-21)33(51)36-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,44,52H,13-15,17-18H2,1-4H3,(H,35,45)(H,36,51)(H,37,47)(H,38,48)(H,39,46)(H,49,50)(H,40,41,42,43)/t24-,25-,26-,34?/m0/s1 AISQVLNZANDVCA-HEBKHUPMSA-N 50333390 3-(2-Hydroxy-2-{[(S)-2-((S)-2-{(S)-3-hydroxy-2-[(2Htetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645516 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53319489 125083492 CHEMBL1645516 ZINC72115362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169577 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C26H38N10O8/c1-12(2)8-17(22(39)29-11-18(37)23(40)30-15-7-5-6-14(9-15)26(43)44)31-24(41)19(13(3)4)32-21(38)16(27)10-28-25(42)20-33-35-36-34-20/h5-7,9,12-13,16-19,37H,8,10-11,27H2,1-4H3,(H,28,42)(H,29,39)(H,30,40)(H,31,41)(H,32,38)(H,43,44)(H,33,34,35,36)/t16-,17-,18?,19-/m0/s1 FBWLYRSKVQIJJZ-WPOPZESYSA-N 50333391 3-{3-[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-propionylamino}-benzoic acid::CHEMBL1645517 Beta-secretase 1 Homo sapiens 440 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322099 125083493 CHEMBL1645517 ZINC66262884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169578 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(O)=O InChI=1S/C16H28N8O5/c1-7(2)5-10(16(28)29)19-14(26)11(8(3)4)20-13(25)9(17)6-18-15(27)12-21-23-24-22-12/h7-11H,5-6,17H2,1-4H3,(H,18,27)(H,19,26)(H,20,25)(H,28,29)(H,21,22,23,24)/t9-,10-,11-/m0/s1 ODYMTBUPBOVCNV-DCAQKATOSA-N 50333388 (S)-2-((S)-2-((S)-2-Amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanoic acid::CHEMBL1645528 Beta-secretase 1 Homo sapiens 4400 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322101 125083490 CHEMBL1645528 C00316 ZINC66252074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169579 CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C35H48N10O8/c1-4-5-14-26(40-29(46)25(36)19-37-32(49)28-42-44-45-43-28)31(48)41-27(17-21(2)3)30(47)38-20-35(53,16-15-22-10-7-6-8-11-22)34(52)39-24-13-9-12-23(18-24)33(50)51/h6-13,18,21,25-27,53H,4-5,14-17,19-20,36H2,1-3H3,(H,37,49)(H,38,47)(H,39,52)(H,40,46)(H,41,48)(H,50,51)(H,42,43,44,45)/t25-,26-,27-,35?/m0/s1 RIGGAJIOTBDJTH-DFKDVBPBSA-N 50333409 3-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-hexanoylamino)-4-methylpentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645510 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322097 125083511 CHEMBL1645510 ZINC72114005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169580 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C35H48N10O8/c1-20(2)15-26(41-31(48)27(16-21(3)4)40-29(46)25(36)18-37-32(49)28-42-44-45-43-28)30(47)38-19-35(53,14-13-22-9-6-5-7-10-22)34(52)39-24-12-8-11-23(17-24)33(50)51/h5-12,17,20-21,25-27,53H,13-16,18-19,36H2,1-4H3,(H,37,49)(H,38,47)(H,39,52)(H,40,46)(H,41,48)(H,50,51)(H,42,43,44,45)/t25-,26-,27-,35?/m0/s1 ZDKLQJLQAFWQHB-DFKDVBPBSA-N 50333410 3-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645511 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53318147 125083512 CHEMBL1645511 ZINC72120290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169581 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C38H46N10O8/c1-23(2)18-29(44-34(51)30(19-25-12-7-4-8-13-25)43-32(49)28(39)21-40-35(52)31-45-47-48-46-31)33(50)41-22-38(56,17-16-24-10-5-3-6-11-24)37(55)42-27-15-9-14-26(20-27)36(53)54/h3-15,20,23,28-30,56H,16-19,21-22,39H2,1-2H3,(H,40,52)(H,41,50)(H,42,55)(H,43,49)(H,44,51)(H,53,54)(H,45,46,47,48)/t28-,29-,30-,38+/m0/s1 NWJQONJUCQTIOU-ABOOINFISA-N 50333407 3-(R)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-phenyl-propionylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645508 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53324766 125083509 CHEMBL1645508 ZINC95547004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169582 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NC[C@@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C38H46N10O8/c1-23(2)18-29(44-34(51)30(19-25-12-7-4-8-13-25)43-32(49)28(39)21-40-35(52)31-45-47-48-46-31)33(50)41-22-38(56,17-16-24-10-5-3-6-11-24)37(55)42-27-15-9-14-26(20-27)36(53)54/h3-15,20,23,28-30,56H,16-19,21-22,39H2,1-2H3,(H,40,52)(H,41,50)(H,42,55)(H,43,49)(H,44,51)(H,53,54)(H,45,46,47,48)/t28-,29-,30-,38-/m0/s1 NWJQONJUCQTIOU-ANADJXLMSA-N 50333408 3-(S)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-phenyl-propionylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645509 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322096 125083510 CHEMBL1645509 ZINC95546901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169583 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25-,26-,34+/m0/s1 FZZOBXKGDCMGAL-NAJARDBOSA-N 50333404 3-(R)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid::CHEMBL1229518 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 038 3KYR 49817351 125083506 CHEMBL1229518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169584 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169585 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O InChI=1S/C26H37N9O8/c1-13(2)10-17(22(38)27-9-8-19(37)28-16-7-5-6-15(11-16)26(42)43)29-24(40)20(14(3)4)31-23(39)18(12-36)30-25(41)21-32-34-35-33-21/h5-7,11,13-14,17-18,20,36H,8-10,12H2,1-4H3,(H,27,38)(H,28,37)(H,29,40)(H,30,41)(H,31,39)(H,42,43)(H,32,33,34,35)/t17-,18+,20-/m0/s1 LGTDCIFKVWHCPN-NSHGMRRFSA-N 50333399 3-{3-[(S)-2-((S)-2-{(R)-3-Hydroxy-2-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-propionylamino}-benzoic acid::CHEMBL1645525 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53323446 125083501 CHEMBL1645525 C06396 ZINC66251255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169586 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(Cc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-18(2)13-24(38-29(46)25(19(3)4)39-27(44)23(34)16-35-30(47)26-40-42-43-41-26)28(45)36-17-33(51,15-20-9-6-5-7-10-20)32(50)37-22-12-8-11-21(14-22)31(48)49/h5-12,14,18-19,23-25,51H,13,15-17,34H2,1-4H3,(H,35,47)(H,36,45)(H,37,50)(H,38,46)(H,39,44)(H,48,49)(H,40,41,42,43)/t23-,24-,25-,33?/m0/s1 OZRARQSFOOEUNQ-IMGUBGMQSA-N 50333402 3-{3-[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-benzyl-2-hydroxy-propionylamino}-benzoic acid::CHEMBL1645504 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53316808 125083504 CHEMBL1645504 ZINC72113987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169587 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(O)=O InChI=1S/C19H33N9O7/c1-8(2)5-11(16(31)22-7-12(29)19(34)35)23-17(32)13(9(3)4)24-15(30)10(20)6-21-18(33)14-25-27-28-26-14/h8-13,29H,5-7,20H2,1-4H3,(H,21,33)(H,22,31)(H,23,32)(H,24,30)(H,34,35)(H,25,26,27,28)/t10-,11-,12?,13-/m0/s1 DEQRHPVDIIEPPG-XYIZDEMUSA-N 50333401 (4S,7S,10S)-4-Amino-14-hydroxy-10-isobutyl-7-isopropyl-1,5,8,11-tetraoxo-1-(2H-tetrazol-5-yl)-2,6,9,12-tetraazapentadecan-15-oic acid::CHEMBL1645526 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53323447 125083503 CHEMBL1645526 C02929 ZINC66251257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169588 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25-,26-,34?/m0/s1 FZZOBXKGDCMGAL-HEBKHUPMSA-N 50333403 3-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645505 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322060 125083505 CHEMBL1645505 ZINC72113988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169589 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O InChI=1S/C26H38N10O7/c1-13(2)10-18(23(39)28-9-8-19(37)30-16-7-5-6-15(11-16)26(42)43)31-24(40)20(14(3)4)32-22(38)17(27)12-29-25(41)21-33-35-36-34-21/h5-7,11,13-14,17-18,20H,8-10,12,27H2,1-4H3,(H,28,39)(H,29,41)(H,30,37)(H,31,40)(H,32,38)(H,42,43)(H,33,34,35,36)/t17-,18-,20-/m0/s1 QNANLGAIPGCPBW-BJLQDIEVSA-N 50333397 3-{3-[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-propionylamino}-benzoic acid::CHEMBL1645523 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53323445 125083499 CHEMBL1645523 ZINC66260235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169590 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O InChI=1S/C26H38N10O7/c1-13(2)10-18(23(39)28-9-8-19(37)30-16-7-5-6-15(11-16)26(42)43)31-24(40)20(14(3)4)32-22(38)17(27)12-29-25(41)21-33-35-36-34-21/h5-7,11,13-14,17-18,20H,8-10,12,27H2,1-4H3,(H,28,39)(H,29,41)(H,30,37)(H,31,40)(H,32,38)(H,42,43)(H,33,34,35,36)/t17-,18+,20+/m1/s1 QNANLGAIPGCPBW-HBFSDRIKSA-N 50333398 3-{3-[(S)-2-((S)-2-{(R)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-propionylamino}-benzoic acid::CHEMBL1645524 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53317688 125083500 CHEMBL1645524 ZINC66251040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169591 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(O)(Cc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C36H48N10O8/c1-21(2)28(42-30(47)26(37)19-38-33(50)29-43-45-46-44-29)32(49)41-27(16-22-10-5-3-6-11-22)31(48)39-20-36(54,18-23-12-7-4-8-13-23)35(53)40-25-15-9-14-24(17-25)34(51)52/h4,7-9,12-15,17,21-22,26-28,54H,3,5-6,10-11,16,18-20,37H2,1-2H3,(H,38,50)(H,39,48)(H,40,53)(H,41,49)(H,42,47)(H,51,52)(H,43,44,45,46)/t26-,27-,28-,36?/m0/s1 WZCKNGPFDZAUDN-MWNJSJQQSA-N 50333406 3-{3-[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-3-cyclohexyl-propionylamino]-2-benzyl-2-hydroxy-propionylamino}-benzoic acid::CHEMBL1645507 Beta-secretase 1 Homo sapiens 680 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53320785 125083508 CHEMBL1645507 ZINC95547008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169592 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O InChI=1S/C26H37N9O8/c1-13(2)10-17(22(38)27-9-8-19(37)28-16-7-5-6-15(11-16)26(42)43)29-24(40)20(14(3)4)31-23(39)18(12-36)30-25(41)21-32-34-35-33-21/h5-7,11,13-14,17-18,20,36H,8-10,12H2,1-4H3,(H,27,38)(H,28,37)(H,29,40)(H,30,41)(H,31,39)(H,42,43)(H,32,33,34,35)/t17-,18-,20-/m0/s1 LGTDCIFKVWHCPN-BJLQDIEVSA-N 50333400 3-{3-[(S)-2-((S)-2-{(S)-3-Hydroxy-2-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-propionylamino}-benzoic acid::CHEMBL1645527 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53323448 125083502 CHEMBL1645527 ZINC66251258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169593 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NC[C@@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25-,26-,34-/m0/s1 FZZOBXKGDCMGAL-GAQVVXLESA-N 50333405 3-(S)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::CHEMBL1645506 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53324740 125083507 CHEMBL1645506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161074 C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1 PTQRJCCBUDSHTQ-WHLCRQNOSA-N 16040 (3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)methyl (2R)-2-amino-2-methyl-3-phenylpropanoate::3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::tertiary carbinamine derived inhibitor 7 Beta-secretase 1 Homo sapiens 163 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 712 2PH6 16094313 46516307 ZINC14960453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161075 C[C@@H](NC(=O)c1cc(cc(c1)-n1cc(nn1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H31FN6O3S/c1-19(21-10-12-23(29)13-11-21)31-27(36)22-14-24(34(3)39(4,37)38)16-25(15-22)35-18-26(32-33-35)28(2,30)17-20-8-6-5-7-9-20/h5-16,18-19H,17,30H2,1-4H3,(H,31,36)/t19-,28-/m1/s1 XISQCJSAFXBFSY-WHLCRQNOSA-N 50313912 3-(4-((R)-2-amino-1-phenylpropan-2-yl)-1H-1,2,3-triazol-1-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1090415 Beta-secretase 1 Homo sapiens 16300 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881837 104148273 CHEMBL1090415 ZINC49793562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161076 C[C@@H](NC(=O)c1cc(cc(c1)-c1noc(n1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-26(35)22-14-21(15-24(16-22)34(3)39(4,36)37)25-32-27(38-33-25)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 IFSSCWNNZXMEGN-KWMCUTETSA-N 50313910 3-(5-((R)-2-amino-1-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1096681 Beta-secretase 1 Homo sapiens 2060 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11512324 104148271 CHEMBL1096681 ZINC49784716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161077 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(o1)C(C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C30H32FN3O4S/c1-20(22-10-12-25(31)13-11-22)33-29(35)24-16-23(17-26(18-24)34(3)39(4,36)37)27-14-15-28(38-27)30(2,32)19-21-8-6-5-7-9-21/h5-18,20H,19,32H2,1-4H3,(H,33,35)/t20-,30?/m1/s1 SPQNHSZTLTXJJP-UEWHNOOISA-N 50313895 3-(5-(2-amino-1-phenylpropan-2-yl)furan-2-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1092146 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11512310 104148256 CHEMBL1092146 ZINC49793402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161078 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc([nH]1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H31FN6O3S/c1-18(20-10-12-23(29)13-11-20)31-26(36)22-14-21(15-24(16-22)35(3)39(4,37)38)25-32-27(34-33-25)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,36)(H,32,33,34)/t18-,28-/m1/s1 HFGSXFMUOCGIOG-KWMCUTETSA-N 50313894 3-(5-((R)-2-amino-1-phenylpropan-2-yl)-1H-1,2,4-triazol-3-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1092147 Beta-secretase 1 Homo sapiens 822 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11628169 104148255 CHEMBL1092147 ZINC49781107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161079 CCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 InChI=1S/C29H36FN3O4S/c1-5-29(31,18-22-9-7-6-8-10-22)20-37-19-23-15-25(17-27(16-23)33(3)38(4,35)36)28(34)32-21(2)24-11-13-26(30)14-12-24/h6-17,21H,5,18-20,31H2,1-4H3,(H,32,34)/t21-,29?/m1/s1 SWTIOLBIXUAGFK-QYWNIODHSA-N 50313902 3-((2-amino-2-benzylbutoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1093393 Beta-secretase 1 Homo sapiens 22000 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11203538 104148263 CHEMBL1093393 ZINC49781356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161089 CNC(CO)(COC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 InChI=1S/C29H34FN3O6S/c1-20(22-10-12-25(30)13-11-22)32-27(35)23-14-24(16-26(15-23)33(3)40(4,37)38)28(36)39-19-29(18-34,31-2)17-21-8-6-5-7-9-21/h5-16,20,31,34H,17-19H2,1-4H3,(H,32,35)/t20-,29?/m1/s1 DUXYVWLGBFHNLM-CUXXENAFSA-N 50313893 2-benzyl-3-hydroxy-2-(methylamino)propyl 3-((R)-1-(4-fluorophenyl)ethylcarbamoyl)-5-(N-methylmethylsulfonamido)benzoate::CHEMBL1086647 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11387554 104148254 CHEMBL1086647 ZINC14208583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161108 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(s1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O3S2/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 MPGXVCJGNDJNQR-KWMCUTETSA-N 50313911 3-(5-((R)-2-amino-1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1096682 Beta-secretase 1 Homo sapiens 29900 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11613886 104148272 CHEMBL1096682 ZINC49784717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161117 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33FN4O5S/c1-19(21-9-11-24(29)12-10-21)32-27(36)23-13-22(14-25(15-23)33(2)39(3,37)38)26(35)31-17-28(30,18-34)16-20-7-5-4-6-8-20/h4-15,19,34H,16-18,30H2,1-3H3,(H,31,35)(H,32,36)/t19-,28?/m1/s1 HVFSQSLQHUCYDO-OJQMSQGESA-N 50313892 CHEMBL1086648::N1-(2-amino-2-benzyl-3-hydroxypropyl)-N3-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)isophthalamide Beta-secretase 1 Homo sapiens 10800 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881431 104148253 CHEMBL1086648 ZINC49777584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161118 C[C@@H](NC(=O)c1cc(cc(c1)-c1ncc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C29H31FN4O4S/c1-19(21-10-12-24(30)13-11-21)33-27(35)22-14-23(16-25(15-22)34(3)39(4,36)37)28-32-18-26(38-28)29(2,31)17-20-8-6-5-7-9-20/h5-16,18-19H,17,31H2,1-4H3,(H,33,35)/t19-,29-/m1/s1 XWKZFPZEUSXHQE-SONOPUAISA-N 50313896 3-(5-((R)-2-amino-1-phenylpropan-2-yl)oxazol-2-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1096683 Beta-secretase 1 Homo sapiens 5 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881795 104148257 CHEMBL1096683 ZINC49793676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161119 C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O4S/c1-20(23-10-12-25(29)13-11-23)31-27(33)24-14-22(15-26(16-24)32(3)37(4,34)35)18-36-19-28(2,30)17-21-8-6-5-7-9-21/h5-16,20H,17-19,30H2,1-4H3,(H,31,33)/t20-,28-/m1/s1 HEVVQTLSQHWKDS-PIIWDFAUSA-N 16039 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::tertiary carbinamine derived inhibitor 6 Beta-secretase 1 Homo sapiens 344 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16094307 46516306 ZINC14960451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161130 C[C@@H](NC(=O)c1cc(COC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O5S/c1-20(23-9-11-25(29)12-10-23)31-27(34)24-13-22(14-26(15-24)32(2)38(3,35)36)17-37-19-28(30,18-33)16-21-7-5-4-6-8-21/h4-15,20,33H,16-19,30H2,1-3H3,(H,31,34)/t20-,28-/m1/s1 KWOISCWHVUWIQV-PIIWDFAUSA-N 50313889 3-(((R)-2-amino-2-benzyl-3-hydroxypropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1086788 Beta-secretase 1 Homo sapiens 580 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881492 104148250 CHEMBL1086788 ZINC49777507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161132 C[C@@H](NC(=O)c1cc(COC[C@H](N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C27H32FN3O4S/c1-19(22-9-11-24(28)12-10-22)30-27(32)23-13-21(15-26(16-23)31(2)36(3,33)34)17-35-18-25(29)14-20-7-5-4-6-8-20/h4-13,15-16,19,25H,14,17-18,29H2,1-3H3,(H,30,32)/t19-,25-/m1/s1 QGPQPROZQHDVAL-KBMIEXCESA-N 50313903 3-(((R)-2-amino-3-phenylpropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1093085 Beta-secretase 1 Homo sapiens 1710 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881613 104148264 CHEMBL1093085 ZINC49071206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161137 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 QEJSJQVKMSAHHX-KWMCUTETSA-N 16041 3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::CHEMBL219601::L-001233771::oxadiazoyl tertiary carbinamine 8 Beta-secretase 1 Homo sapiens 60 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I02 2IRZ 11692473 46516308 CHEMBL219601 ZINC10339564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162125 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N(C)S(C)(=O)=O InChI=1S/C31H39F2N5O6S2/c1-5-34-25-15-22(16-26(18-25)37(3)45(4,41)42)31(40)36-28(14-21-12-23(32)17-24(33)13-21)30(39)29-19-38(10-9-35-29)46(43,44)27-8-6-7-20(2)11-27/h6-8,11-13,15-18,28-30,34-35,39H,5,9-10,14,19H2,1-4H3,(H,36,40)/t28-,29+,30-/m0/s1 MVOYKPUYNWGAIT-JBOQNHBVSA-N 50317052 CHEMBL1097346::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-3-(ethylamino)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888956 104151413 CHEMBL1097346 ZINC49802717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162127 COC[C@H]1CCCN1C(=O)CCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C31H42F2N4O6S/c1-21-6-3-8-26(14-21)44(41,42)36-13-11-34-28(19-36)31(40)27(17-22-15-23(32)18-24(33)16-22)35-29(38)9-4-10-30(39)37-12-5-7-25(37)20-43-2/h3,6,8,14-16,18,25,27-28,31,34,40H,4-5,7,9-13,17,19-20H2,1-2H3,(H,35,38)/t25-,27+,28-,31+/m1/s1 JLFKQAZHVFIYJZ-BJJDYEEQSA-N 50317049 CHEMBL1097343::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-((R)-2-(methoxymethyl)pyrrolidin-1-yl)-5-oxopentanamide Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888953 104151410 CHEMBL1097343 ZINC49780416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162129 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O)c1ccccc1 InChI=1S/C40H45F2N5O7S2/c1-26-9-8-12-35(17-26)56(53,54)46-15-13-43-37(25-46)38(48)36(20-28-18-32(41)24-33(42)19-28)45-40(50)31-21-30(39(49)44-27(2)29-10-4-3-5-11-29)22-34(23-31)47-14-6-7-16-55(47,51)52/h3-5,8-12,17-19,21-24,27,36-38,43,48H,6-7,13-16,20,25H2,1-2H3,(H,44,49)(H,45,50)/t27-,36+,37-,38+/m1/s1 AARMPADYPUTMDB-IQVBETABSA-N 50317050 1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(3-methylbenzene)sulfonyl]piperazin-2-yl]propan-2-yl]-5-(1,1-dioxo-1,2-thiazinan-2-yl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::CHEMBL1097344 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888954 104151411 CHEMBL1097344 ZINC95539276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162130 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)CCC InChI=1S/C31H44F2N4O5S/c1-5-9-36(10-6-2)31(40)24-14-21(4)13-23(18-24)30(39)35-27(17-22-15-25(32)19-26(33)16-22)29(38)28-20-37(11-8-34-28)43(41,42)12-7-3/h13-16,18-19,27-29,34,38H,5-12,17,20H2,1-4H3,(H,35,39)/t27-,28+,29-/m0/s1 KOUPBDFEJJZQLP-NHKHRBQYSA-N 50317047 CHEMBL1097341::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(propylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 95 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888952 104151408 CHEMBL1097341 ZINC49777404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162131 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O InChI=1S/C29H40F2N4O5S/c1-5-8-34(9-6-2)29(38)22-12-19(3)11-21(16-22)28(37)33-25(15-20-13-23(30)17-24(31)14-20)27(36)26-18-35(10-7-32-26)41(4,39)40/h11-14,16-17,25-27,32,36H,5-10,15,18H2,1-4H3,(H,33,37)/t25-,26+,27-/m0/s1 NJMFDNQZIQZAMU-VJGNERBWSA-N 50317046 CHEMBL1097340::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(methylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888951 104151407 CHEMBL1097340 ZINC49784018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162134 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccnc1 InChI=1S/C33H41F2N5O5S/c1-4-10-39(11-5-2)33(43)25-14-22(3)13-24(18-25)32(42)38-29(17-23-15-26(34)19-27(35)16-23)31(41)30-21-40(12-9-37-30)46(44,45)28-7-6-8-36-20-28/h6-8,13-16,18-20,29-31,37,41H,4-5,9-12,17,21H2,1-3H3,(H,38,42)/t29-,30+,31-/m0/s1 JHSBDGNXDGWDBT-YPKYBTACSA-N 50317045 CHEMBL1097339::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(pyridin-3-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 5800 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888950 104151406 CHEMBL1097339 ZINC49793939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162135 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)noc1C InChI=1S/C33H43F2N5O6S/c1-6-9-39(10-7-2)33(43)25-13-20(3)12-24(17-25)32(42)37-28(16-23-14-26(34)18-27(35)15-23)30(41)29-19-40(11-8-36-29)47(44,45)31-21(4)38-46-22(31)5/h12-15,17-18,28-30,36,41H,6-11,16,19H2,1-5H3,(H,37,42)/t28-,29+,30-/m0/s1 FYKHAXWGPXSFHD-JBOQNHBVSA-N 50317044 CHEMBL1097338::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(3,5-dimethylisoxazol-4-ylsulfonyl)piperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888949 104151405 CHEMBL1097338 ZINC49783891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162137 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)nn(C)c1C InChI=1S/C34H46F2N6O5S/c1-7-10-41(11-8-2)34(45)26-14-21(3)13-25(18-26)33(44)38-29(17-24-15-27(35)19-28(36)16-24)31(43)30-20-42(12-9-37-30)48(46,47)32-22(4)39-40(6)23(32)5/h13-16,18-19,29-31,37,43H,7-12,17,20H2,1-6H3,(H,38,44)/t29-,30+,31-/m0/s1 AGLLENADHFXJJA-YPKYBTACSA-N 50317043 CHEMBL1097337::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(1,3,5-trimethyl-1H-pyrazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888948 104151404 CHEMBL1097337 ZINC49784686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162138 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1sc(C)nc1C InChI=1S/C33H43F2N5O5S2/c1-6-9-39(10-7-2)32(43)25-13-20(3)12-24(17-25)31(42)38-28(16-23-14-26(34)18-27(35)15-23)30(41)29-19-40(11-8-36-29)47(44,45)33-21(4)37-22(5)46-33/h12-15,17-18,28-30,36,41H,6-11,16,19H2,1-5H3,(H,38,42)/t28-,29+,30-/m0/s1 GEJXKWCEBBEVFL-JBOQNHBVSA-N 50317042 CHEMBL1097336::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(2,4-dimethylthiazol-5-ylsulfonyl)piperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888947 104151403 CHEMBL1097336 ZINC49802647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162124 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O InChI=1S/C33H41F2N5O6S2/c1-3-36-27-17-24(18-28(20-27)40-10-4-5-12-47(40,43)44)33(42)38-30(16-23-14-25(34)19-26(35)15-23)32(41)31-21-39(11-9-37-31)48(45,46)29-8-6-7-22(2)13-29/h6-8,13-15,17-20,30-32,36-37,41H,3-5,9-12,16,21H2,1-2H3,(H,38,42)/t30-,31+,32-/m0/s1 SLBSYXUQXCWSGG-QAXCHELISA-N 50317051 CHEMBL1097345::N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(3-methylbenzene)sulfonyl]piperazin-2-yl]propan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide Beta-secretase 1 Homo sapiens 62 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888955 104151412 CHEMBL1097345 ZINC49777399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162142 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccn1 InChI=1S/C33H39F2N5O6S/c1-21-12-23(17-24(13-21)33(43)40-10-5-6-27(40)20-46-2)32(42)38-28(16-22-14-25(34)18-26(35)15-22)31(41)29-19-39(11-9-36-29)47(44,45)30-7-3-4-8-37-30/h3-4,7-8,12-15,17-18,27-29,31,36,41H,5-6,9-11,16,19-20H2,1-2H3,(H,38,42)/t27-,28+,29-,31+/m1/s1 KHFQYPUPIKRNJS-KQWYEKEHSA-N 50317057 CHEMBL1097350::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(pyridin-2-ylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888960 104151418 CHEMBL1097350 ZINC49783892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162143 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnoc1C InChI=1S/C32H41F2N5O6S/c1-5-8-38(9-6-2)32(42)24-12-20(3)11-23(16-24)31(41)37-27(15-22-13-25(33)17-26(34)14-22)30(40)28-19-39(10-7-35-28)46(43,44)29-18-36-45-21(29)4/h11-14,16-18,27-28,30,35,40H,5-10,15,19H2,1-4H3,(H,37,41)/t27-,28+,30-/m0/s1 JFYSYINVGNDMGK-LXQNXJGFSA-N 50317041 CHEMBL1097335::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(5-methylisoxazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888946 104151402 CHEMBL1097335 ZINC49783627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162145 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccncc1 InChI=1S/C33H41F2N5O5S/c1-4-11-39(12-5-2)33(43)25-15-22(3)14-24(19-25)32(42)38-29(18-23-16-26(34)20-27(35)17-23)31(41)30-21-40(13-10-37-30)46(44,45)28-6-8-36-9-7-28/h6-9,14-17,19-20,29-31,37,41H,4-5,10-13,18,21H2,1-3H3,(H,38,42)/t29-,30+,31-/m0/s1 MCXKQZCXENNNEH-YPKYBTACSA-N 50317040 CHEMBL1097334::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(pyridin-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888945 104151401 CHEMBL1097334 ZINC49802646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162146 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccs1 InChI=1S/C32H40F2N4O5S2/c1-4-9-37(10-5-2)32(41)24-14-21(3)13-23(18-24)31(40)36-27(17-22-15-25(33)19-26(34)16-22)30(39)28-20-38(11-8-35-28)45(42,43)29-7-6-12-44-29/h6-7,12-16,18-19,27-28,30,35,39H,4-5,8-11,17,20H2,1-3H3,(H,36,40)/t27-,28+,30-/m0/s1 HPXTWKXHCWYIII-LXQNXJGFSA-N 50317039 CHEMBL1097333::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(thiophen-2-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888944 104151400 CHEMBL1097333 ZINC49783626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162150 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C32H42F2N6O5S/c1-5-8-39(9-6-2)32(43)24-12-21(3)11-23(16-24)31(42)37-27(15-22-13-25(33)17-26(34)14-22)30(41)28-18-40(10-7-35-28)46(44,45)29-19-38(4)20-36-29/h11-14,16-17,19-20,27-28,30,35,41H,5-10,15,18H2,1-4H3,(H,37,42)/t27-,28+,30-/m0/s1 RJPKZFOLDCVSNL-LXQNXJGFSA-N 50317038 CHEMBL1097332::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(1-methyl-1H-imidazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888943 104151399 CHEMBL1097332 ZINC49783890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162152 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)s1 InChI=1S/C32H37ClF2N4O6S2/c1-19-10-21(15-22(11-19)32(42)39-8-3-4-25(39)18-45-2)31(41)37-26(14-20-12-23(34)16-24(35)13-20)30(40)27-17-38(9-7-36-27)47(43,44)29-6-5-28(33)46-29/h5-6,10-13,15-16,25-27,30,36,40H,3-4,7-9,14,17-18H2,1-2H3,(H,37,41)/t25-,26+,27-,30+/m1/s1 ROLBGZGMDNTLMP-BXAWWBQVSA-N 50317058 CHEMBL1097351::N-((1S,2S)-1-((R)-4-(5-chlorothiophen-2-ylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888961 104151419 CHEMBL1097351 ZINC49793788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162153 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C32H40F2N6O6S/c1-20-9-22(14-23(10-20)32(43)40-7-4-5-26(40)18-46-3)31(42)37-27(13-21-11-24(33)15-25(34)12-21)30(41)28-16-39(8-6-35-28)47(44,45)29-17-38(2)19-36-29/h9-12,14-15,17,19,26-28,30,35,41H,4-8,13,16,18H2,1-3H3,(H,37,42)/t26-,27+,28-,30+/m1/s1 SSZWMOZAGUFOJM-UONLKORASA-N 50317059 CHEMBL1097352::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(1-methyl-1H-imidazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888962 104151420 CHEMBL1097352 ZINC49802597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162154 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O InChI=1S/C29H38F2N4O6S/c1-18-9-20(14-21(10-18)29(38)35-7-4-5-24(35)17-41-2)28(37)33-25(13-19-11-22(30)15-23(31)12-19)27(36)26-16-34(8-6-32-26)42(3,39)40/h9-12,14-15,24-27,32,36H,4-8,13,16-17H2,1-3H3,(H,33,37)/t24-,25+,26-,27+/m1/s1 IMGGISDXENNSOV-RAVGUYNFSA-N 50317062 CHEMBL1097355::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(methylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888964 104151423 CHEMBL1097355 ZINC49777632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162155 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)Cc1ccccc1 InChI=1S/C35H42F2N4O6S/c1-23-13-26(18-27(14-23)35(44)41-11-6-9-30(41)21-47-2)34(43)39-31(17-25-15-28(36)19-29(37)16-25)33(42)32-20-40(12-10-38-32)48(45,46)22-24-7-4-3-5-8-24/h3-5,7-8,13-16,18-19,30-33,38,42H,6,9-12,17,20-22H2,1-2H3,(H,39,43)/t30-,31+,32-,33+/m1/s1 YCZNILRLCNILQB-LVVLYVGBSA-N 50317060 CHEMBL1097353::N-((1S,2S)-1-((R)-4-(benzylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46861631 104151421 CHEMBL1097353 ZINC49793789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162157 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)C1CC1 InChI=1S/C31H40F2N4O6S/c1-19-10-21(15-22(11-19)31(40)37-8-3-4-25(37)18-43-2)30(39)35-27(14-20-12-23(32)16-24(33)13-20)29(38)28-17-36(9-7-34-28)44(41,42)26-5-6-26/h10-13,15-16,25-29,34,38H,3-9,14,17-18H2,1-2H3,(H,35,39)/t25-,27+,28-,29+/m1/s1 AMLMNJLUYMKORW-MXYFDVTLSA-N 50317061 CHEMBL1097354::N-((1S,2S)-1-((R)-4-(cyclopropylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888963 104151422 CHEMBL1097354 ZINC49803209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162158 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccn1 InChI=1S/C33H39F2N5O6S/c1-21-12-23(17-24(13-21)33(43)40-10-5-6-27(40)20-46-2)32(42)38-28(16-22-14-25(34)18-26(35)15-22)31(41)29-19-39(11-9-36-29)47(44,45)30-7-3-4-8-37-30/h3-4,7-8,12-15,17-18,27-29,31,36,41H,5-6,9-11,16,19-20H2,1-2H3,(H,38,42)/t27-,28+,29-,31+/m1/s1 KHFQYPUPIKRNJS-KQWYEKEHSA-N 50317057 CHEMBL1097350::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(pyridin-2-ylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888960 104151418 CHEMBL1097350 ZINC49783892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162159 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 InChI=1S/C34H39ClF2N4O6S/c1-21-11-23(16-24(12-21)34(44)41-9-4-6-28(41)20-47-2)33(43)39-30(15-22-13-26(36)18-27(37)14-22)32(42)31-19-40(10-8-38-31)48(45,46)29-7-3-5-25(35)17-29/h3,5,7,11-14,16-18,28,30-32,38,42H,4,6,8-10,15,19-20H2,1-2H3,(H,39,43)/t28-,30+,31-,32+/m1/s1 BATBIHFGKSMQCY-HMMMRCIUSA-N 50317056 CHEMBL1097349::N-((1S,2S)-1-((R)-4-(3-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888959 104151417 CHEMBL1097349 ZINC49777405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162161 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1C InChI=1S/C35H44F2N4O5S/c1-5-12-40(13-6-2)35(44)27-16-23(3)15-26(20-27)34(43)39-30(19-25-17-28(36)21-29(37)18-25)33(42)31-22-41(14-11-38-31)47(45,46)32-10-8-7-9-24(32)4/h7-10,15-18,20-21,30-31,33,38,42H,5-6,11-14,19,22H2,1-4H3,(H,39,43)/t30-,31+,33-/m0/s1 ZDGZBDSYGPHAJS-PZWMIYICSA-N 50317026 CHEMBL1097320::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(o-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888932 104151387 CHEMBL1097320 ZINC49783806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162163 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 InChI=1S/C34H40F2N4O6S/c1-22-13-24(18-25(14-22)34(43)40-11-6-7-28(40)21-46-2)33(42)38-30(17-23-15-26(35)19-27(36)16-23)32(41)31-20-39(12-10-37-31)47(44,45)29-8-4-3-5-9-29/h3-5,8-9,13-16,18-19,28,30-32,37,41H,6-7,10-12,17,20-21H2,1-2H3,(H,38,42)/t28-,30+,31-,32+/m1/s1 APTGNANQHRPHDT-HMMMRCIUSA-N 50317055 CHEMBL1097348::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(phenylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46861889 104151416 CHEMBL1097348 ZINC49802718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162165 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C35H44F2N4O5S/c1-5-11-40(12-6-2)35(44)27-15-24(4)14-26(20-27)34(43)39-31(19-25-17-28(36)21-29(37)18-25)33(42)32-22-41(13-10-38-32)47(45,46)30-9-7-8-23(3)16-30/h7-9,14-18,20-21,31-33,38,42H,5-6,10-13,19,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 PHORKLGJZXCIDK-DSPMFFIESA-N 50317027 CHEMBL1097321::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11700321 104151388 CHEMBL1097321 ZINC49802165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162169 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C22H27F2N3O4S/c1-14-4-3-5-19(8-14)32(30,31)27-7-6-25-21(13-27)22(29)20(26-15(2)28)11-16-9-17(23)12-18(24)10-16/h3-5,8-10,12,20-22,25,29H,6-7,11,13H2,1-2H3,(H,26,28)/t20-,21+,22-/m0/s1 NJDSZIIKVQYJRQ-BDTNDASRSA-N 50317054 CHEMBL1087742::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)acetamide Beta-secretase 1 Homo sapiens 365 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888958 104151415 CHEMBL1087742 ZINC49111506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162170 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C29H38F2N4O5S/c1-3-4-9-34-17-21(15-27(34)36)29(38)33-25(14-20-12-22(30)16-23(31)13-20)28(37)26-18-35(10-8-32-26)41(39,40)24-7-5-6-19(2)11-24/h5-7,11-13,16,21,25-26,28,32,37H,3-4,8-10,14-15,17-18H2,1-2H3,(H,33,38)/t21?,25-,26+,28-/m0/s1 HPDGUUSJXUKDGG-HSTGIYNWSA-N 50317053 1-butyl-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-oxopyrrolidine-3-carboxamide::CHEMBL1097347 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888957 104151414 CHEMBL1097347 ZINC49793787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162171 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N(C)S(C)(=O)=O InChI=1S/C31H39F2N5O6S2/c1-5-34-25-15-22(16-26(18-25)37(3)45(4,41)42)31(40)36-28(14-21-12-23(32)17-24(33)13-21)30(39)29-19-38(10-9-35-29)46(43,44)27-8-6-7-20(2)11-27/h6-8,11-13,15-18,28-30,34-35,39H,5,9-10,14,19H2,1-4H3,(H,36,40)/t28-,29+,30-/m0/s1 MVOYKPUYNWGAIT-JBOQNHBVSA-N 50317052 CHEMBL1097346::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-3-(ethylamino)-5-(N-methylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888956 104151413 CHEMBL1097346 ZINC49802717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162177 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 InChI=1S/C34H42F2N4O5S/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)46(44,45)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1 KDRUCCZCGHVXGH-QAXCHELISA-N 50317025 CHEMBL1097319::N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(phenylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z74 3LPI 45105273 104151386 CHEMBL1097319 ZINC49784328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162178 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O InChI=1S/C33H41F2N5O6S2/c1-3-36-27-17-24(18-28(20-27)40-10-4-5-12-47(40,43)44)33(42)38-30(16-23-14-25(34)19-26(35)15-23)32(41)31-21-39(11-9-37-31)48(45,46)29-8-6-7-22(2)13-29/h6-8,13-15,17-20,30-32,36-37,41H,3-5,9-12,16,21H2,1-2H3,(H,38,42)/t30-,31+,32-/m0/s1 SLBSYXUQXCWSGG-QAXCHELISA-N 50317051 CHEMBL1097345::N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(3-methylbenzene)sulfonyl]piperazin-2-yl]propan-2-yl]-3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888955 104151412 CHEMBL1097345 ZINC49777399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162179 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O)c1ccccc1 InChI=1S/C40H45F2N5O7S2/c1-26-9-8-12-35(17-26)56(53,54)46-15-13-43-37(25-46)38(48)36(20-28-18-32(41)24-33(42)19-28)45-40(50)31-21-30(39(49)44-27(2)29-10-4-3-5-11-29)22-34(23-31)47-14-6-7-16-55(47,51)52/h3-5,8-12,17-19,21-24,27,36-38,43,48H,6-7,13-16,20,25H2,1-2H3,(H,44,49)(H,45,50)/t27-,36+,37-,38+/m1/s1 AARMPADYPUTMDB-IQVBETABSA-N 50317050 1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(3-methylbenzene)sulfonyl]piperazin-2-yl]propan-2-yl]-5-(1,1-dioxo-1,2-thiazinan-2-yl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::CHEMBL1097344 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888954 104151411 CHEMBL1097344 ZINC95539276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162180 COC[C@H]1CCCN1C(=O)CCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C31H42F2N4O6S/c1-21-6-3-8-26(14-21)44(41,42)36-13-11-34-28(19-36)31(40)27(17-22-15-23(32)18-24(33)16-22)35-29(38)9-4-10-30(39)37-12-5-7-25(37)20-43-2/h3,6,8,14-16,18,25,27-28,31,34,40H,4-5,7,9-13,17,19-20H2,1-2H3,(H,35,38)/t25-,27+,28-,31+/m1/s1 JLFKQAZHVFIYJZ-BJJDYEEQSA-N 50317049 CHEMBL1097343::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-((R)-2-(methoxymethyl)pyrrolidin-1-yl)-5-oxopentanamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888953 104151410 CHEMBL1097343 ZINC49780416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162181 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1 CQQMWBPWYUPVOC-PPESYSCFSA-N 50317048 CHEMBL1097342::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide::N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z76 3LPK 45105274 104151409 CHEMBL1097342 ZINC49802648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163186 COc1nc(NCCN2CCOCC2)nc(Nc2ccc(I)cc2)n1 InChI=1S/C16H21IN6O2/c1-24-16-21-14(18-6-7-23-8-10-25-11-9-23)20-15(22-16)19-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3,(H2,18,19,20,21,22) AJFANYLCUHILPU-UHFFFAOYSA-N 50320619 CHEMBL1163707::N2-(4-iodophenyl)-6-methoxy-N4-(2-morpholinoethyl)-1,3,5-triazine-2,4-diamine Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4599004 104142148 CHEMBL1163707 ZINC20757246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163187 COc1ccc(OC)c(c1)\N=c1/oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(Cl)cc1 InChI=1S/C25H22ClN3O5/c1-14-23-19(15(13-30)12-27-14)11-20(24(31)28-17-6-4-16(26)5-7-17)25(34-23)29-21-10-18(32-2)8-9-22(21)33-3/h4-12,30H,13H2,1-3H3,(H,28,31)/b29-25- XZWFCJDEJUYZMZ-GNVQSUKOSA-N 50320666 CHEMBL1164972::N-(4-chlorophenyl)-2-(2,5-dimethoxyphenylimino)-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46369107 104142195 CHEMBL1164972 ZINC20617133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163188 Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(n2)N2CCOCC2)cc1Cl InChI=1S/C21H20Br2ClN7O2/c1-12-2-3-15(10-17(12)24)26-19-27-20(29-21(28-19)31-4-6-33-7-5-31)30-25-11-13-8-14(22)9-16(23)18(13)32/h2-3,8-10,32H,4-7,11H2,1H3,(H,26,27,28,29) MECKKXCOEIAELD-UHFFFAOYSA-N 50320613 2,4-dibromo-6-((2-(4-(3-chloro-4-methylphenylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)phenol::CHEMBL1165722 Beta-secretase 1 Homo sapiens 20600 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933468 104142142 CHEMBL1165722 ZINC49808664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163189 OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34) ZKWUJSYYFUCRNZ-UHFFFAOYSA-N 16730 N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl}naphthalene-1-carboxamide::Naphthyl Compound, 5a Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633817 46516950 ZINC14962015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163190 Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(n2)N2CCOCC2)c1 InChI=1S/C22H23Br2N7O2/c1-13-3-4-14(2)18(9-13)26-20-27-21(29-22(28-20)31-5-7-33-8-6-31)30-25-12-15-10-16(23)11-17(24)19(15)32/h3-4,9-11,32H,5-8,12H2,1-2H3,(H,26,27,28,29) DGTLTPWYBKTFIC-UHFFFAOYSA-N 50320612 2,4-dibromo-6-((2-(4-(2,5-dimethylphenylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)phenol::CHEMBL1164960 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933467 104142141 CHEMBL1164960 ZINC08872724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163191 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O InChI=1S/C33H29N3O3/c37-32(28-21-27-13-7-8-14-31(27)39-33(28)38)34-29-22-26(25-11-5-2-6-12-25)15-16-30(29)36-19-17-35(18-20-36)23-24-9-3-1-4-10-24/h1-16,21-22H,17-20,23H2,(H,34,37) FVSBUQCOCOEDJM-UHFFFAOYSA-N 16749 Coumarin Compound, 11c::N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11634931 46516969 ZINC14962097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163192 Oc1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Br InChI=1S/C22H17Br2N7O/c23-17-11-14(12-18(24)19(17)32)13-25-31-22-29-20(26-15-7-3-1-4-8-15)28-21(30-22)27-16-9-5-2-6-10-16/h1-12,32H,13H2,(H2,26,27,28,29,30) QXUKZJIXIADINO-UHFFFAOYSA-N 50320611 4-((2-(4,6-bis(phenylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)-2,6-dibromophenol::CHEMBL1164959 Beta-secretase 1 Homo sapiens 53900 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933466 104142140 CHEMBL1164959 ZINC49803244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163193 Brc1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C21H19BrN2O2/c22-16-8-9-20(24-10-12-26-13-11-24)19(14-16)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25) KSKVKWGASXQZCE-UHFFFAOYSA-N 16723 N-[5-bromo-2-(morpholin-4-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3a Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11596715 46516943 ZINC14961988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163194 Oc1c(I)cc(I)cc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1 InChI=1S/C20H22I2N4O2/c21-17-10-16(20(28)18(22)11-17)12-23-24-19(27)14-26-8-6-25(7-9-26)13-15-4-2-1-3-5-15/h1-5,10-12,28H,6-9,13-14H2,(H,24,27) CTNSPJSYKWQDLD-UHFFFAOYSA-N 50320646 2-(4-benzylpiperazin-1-yl)-N'-(2-hydroxy-3,5-diiodobenzylidene)acetohydrazide::CHEMBL1164096 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6033409 104142175 CHEMBL1164096 ZINC49803707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163195 CCc1ccc(cc1)N1C(=O)Nc2ccc(Br)cc2C1(O)C(=O)NCc1ccccc1 InChI=1S/C24H22BrN3O3/c1-2-16-8-11-19(12-9-16)28-23(30)27-21-13-10-18(25)14-20(21)24(28,31)22(29)26-15-17-6-4-3-5-7-17/h3-14,31H,2,15H2,1H3,(H,26,29)(H,27,30) MHHYQOWWMHOOFC-UHFFFAOYSA-N 50320645 CHEMBL1164841::N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4068751 104142174 CHEMBL1164841 ZINC03670563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163196 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1 InChI=1S/C29H34FN3O6S/c1-21(23-10-12-25(30)13-11-23)33-29(35)24-16-26(38-19-28(34)32-15-7-3-6-14-31)18-27(17-24)39-40(36,37)20-22-8-4-2-5-9-22/h2,4-5,8-13,16-18,21H,3,6-7,14-15,19-20,31H2,1H3,(H,32,34)(H,33,35)/t21-/m1/s1 UUMRCVIXZFKZAU-OAQYLSRUSA-N 16046 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}phenyl 1-phenylmethanesulfonate::L-124,671::oxyacetamide 5 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32P 1TQF 448772 46516313 ZINC10339546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163197 CCCCCCc1nc2ccccc2c(=O)n1NC(O)c1c(O)c2cccc3CCCn(c23)c1=O InChI=1S/C27H30N4O4/c1-2-3-4-5-15-21-28-20-14-7-6-12-18(20)26(34)31(21)29-25(33)22-24(32)19-13-8-10-17-11-9-16-30(23(17)19)27(22)35/h6-8,10,12-14,25,29,32-33H,2-5,9,11,15-16H2,1H3 UTSFQGZLZKBDOC-UHFFFAOYSA-N 50320644 2-((2-hexyl-4-oxoquinazolin-3(4H)-ylamino)(hydroxy)methyl)-1-hydroxy-6,7-dihydropyrido[3,2,1-ij]quinolin-3(5H)-one::CHEMBL1165526 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54729809 104142173 CHEMBL1165526 ZINC49803696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163198 CCN1CCCC1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O InChI=1S/C23H25ClN4O2S/c1-2-27-11-3-4-18(27)13-25-21(29)16-7-10-19-20(12-16)26-23(31)28(22(19)30)14-15-5-8-17(24)9-6-15/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,25,29)(H,26,31) XOZVHZIYBBRVLC-UHFFFAOYSA-N 50320643 3-(4-chlorobenzyl)-N-((1-ethylpyrrolidin-2-yl)methyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide::CHEMBL1164095 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4250961 104142172 CHEMBL1164095 ZINC20645519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163199 CC(C)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(O)=O InChI=1S/C17H23N3O6/c1-11(2)15(16(23)24)20-14(22)9-18-13(21)8-19-17(25)26-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,18,21)(H,19,25)(H,20,22)(H,23,24) OLTJNTLCZYWHKR-UHFFFAOYSA-N 50320683 11-isopropyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid::CHEMBL1164333 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3750579 104142212 CHEMBL1164333 ZINC04029402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163200 NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37) PZHWVACDFBHKQI-UHFFFAOYSA-N 16733 4-[1-(5-Amino)-pentyl]-1-{4-(phenyl)-2-[(naphthalene-1-carbonyl)-amino]-phenyl}-piperazine::N-{2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl}naphthalene-1-carboxamide::Naphthyl Compound, 5d Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11620172 46516953 ZINC14962026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163201 COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(CCSC)C(=O)NNC(=O)Sc1nc2ccccc2s1 InChI=1S/C28H27N5O5S3/c1-38-18-13-11-17(12-14-18)24(34)29-20-8-4-3-7-19(20)25(35)30-22(15-16-39-2)26(36)32-33-27(37)41-28-31-21-9-5-6-10-23(21)40-28/h3-14,22H,15-16H2,1-2H3,(H,29,34)(H,30,35)(H,32,36)(H,33,37) YUJUXFMWPWMYTB-UHFFFAOYSA-N 50320682 CHEMBL1164332::S-benzo[d]thiazol-2-yl 2-(2-(2-(4-methoxybenzamido)benzamido)-4-(methylthio)butanoyl)hydrazinecarbothioate Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906686 104142211 CHEMBL1164332 ZINC49803620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163202 CC(C)C(NC(=O)CNC(=O)c1cc(oc1C)-c1ccccc1)C(O)=O InChI=1S/C19H22N2O5/c1-11(2)17(19(24)25)21-16(22)10-20-18(23)14-9-15(26-12(14)3)13-7-5-4-6-8-13/h4-9,11,17H,10H2,1-3H3,(H,20,23)(H,21,22)(H,24,25) KRLLICBGCLRCJH-UHFFFAOYSA-N 50320681 3-methyl-2-(2-(2-methyl-5-phenylfuran-3-carboxamido)acetamido)butanoic acid::CHEMBL1164242 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3143447 104142210 CHEMBL1164242 ZINC05017705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163203 CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(O)=O)ccc12 InChI=1S/C18H20N2O7/c1-2-3-11-6-18(25)27-14-7-12(4-5-13(11)14)26-10-16(22)19-8-15(21)20-9-17(23)24/h4-7H,2-3,8-10H2,1H3,(H,19,22)(H,20,21)(H,23,24) AIBHTRVWMBKMAG-UHFFFAOYSA-N 50320680 2-(2-(2-(2-oxo-4-propyl-2H-chromen-7-yloxy)acetamido)acetamido)acetic acid::CHEMBL1164433 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1796032 104142209 CHEMBL1164433 ZINC02140328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163204 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12 InChI=1S/C28H26BrN3O4/c1-35-25-9-5-8-20-16-22(28(34)36-26(20)25)27(33)30-23-17-21(29)10-11-24(23)32-14-12-31(13-15-32)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,30,33) ZKEDQDYNSHAHAO-UHFFFAOYSA-N 16745 CHEMBL381617::Coumarin Compound, 10c::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526803 46516965 CHEMBL381617 ZINC14962081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163205 FC(F)(Cl)Oc1ccc(Nc2nc(NCc3ccccc3)nc(n2)N2CCCCC2)cc1 InChI=1S/C22H23ClF2N6O/c23-22(24,25)32-18-11-9-17(10-12-18)27-20-28-19(26-15-16-7-3-1-4-8-16)29-21(30-20)31-13-5-2-6-14-31/h1,3-4,7-12H,2,5-6,13-15H2,(H2,26,27,28,29,30) LNMQDVAQNNPRGV-UHFFFAOYSA-N 50320625 CHEMBL1163660::N2-benzyl-N4-(4-(chlorodifluoromethoxy)phenyl)-6-(piperidin-1-yl)-1,3,5-triazine-2,4-diamine Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1826494 104142154 CHEMBL1163660 ZINC02192063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163206 Oc1c(I)cc(I)cc1CN=Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1 InChI=1S/C21H21I2N7O2/c22-16-10-15(18(31)17(23)11-16)13-25-29-20-26-19(24-12-14-4-2-1-3-5-14)27-21(28-20)30-6-8-32-9-7-30/h1-5,10-11,31H,6-9,12-13H2,(H,24,26,27,28) MQGGIEZPCBHDKW-UHFFFAOYSA-N 50320624 2-((2-(4-(benzylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)-4,6-diiodophenol::CHEMBL1163658 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933475 104142153 CHEMBL1163658 ZINC49820342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163207 Clc1ccc(CN=Nc2nc(Nc3cccc(Br)c3)nc(n2)N2CCOCC2)cc1 InChI=1S/C20H19BrClN7O/c21-15-2-1-3-17(12-15)24-18-25-19(27-20(26-18)29-8-10-30-11-9-29)28-23-13-14-4-6-16(22)7-5-14/h1-7,12H,8-11,13H2,(H,24,25,26,27) ZZQQGENBHBLZJU-UHFFFAOYSA-N 50320623 CHEMBL1163230::N-(3-bromophenyl)-4-(2-(4-chlorobenzylidene)hydrazinyl)-6-morpholino-1,3,5-triazin-2-amine Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933474 104142152 CHEMBL1163230 ZINC08427590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163208 CCSc1sc(CC)cc1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cn1 InChI=1S/C27H33N3O2S2/c1-7-17-11-18(26(34-17)33-8-2)23-22(25(32)30-21-10-9-15(3)14-28-21)16(4)29-19-12-27(5,6)13-20(31)24(19)23/h9-11,14,23-24H,7-8,12-13H2,1-6H3,(H,28,30,32) VGXWBOIKTFIAAK-UHFFFAOYSA-N 50320651 4-(5-ethyl-2-(ethylthio)thiophen-3-yl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide::CHEMBL1165364 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933480 104142180 CHEMBL1165364 ZINC05928474 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163209 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C20H18BrN3O3/c21-14-5-6-17(24-9-7-22-8-10-24)16(12-14)23-19(25)15-11-13-3-1-2-4-18(13)27-20(15)26/h1-6,11-12,22H,7-10H2,(H,23,25) AYWFSFQSZQWRBS-UHFFFAOYSA-N 16741 2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide::CHEMBL1165089::CHEMBL381919::Coumarin Compound, 9d Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526737 46516961 CHEMBL381919CHEMBL1165089 ZINC14962065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163210 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12 InChI=1S/C26H28BrN3O6/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)20-9-8-17(27)15-19(20)28-23(31)18-14-16-6-5-7-21(34-4)22(16)35-24(18)32/h5-9,14-15H,10-13H2,1-4H3,(H,28,31) MRDWDHZSINJWSN-UHFFFAOYSA-N 16744 CHEMBL206854::Coumarin Compound, 10b::tert-butyl 4-{4-bromo-2-[(8-methoxy-2-oxo-2H-chromene-3-)amido]phenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526916 46516964 CHEMBL206854 ZINC14962077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163211 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(=O)(=O)N(C)C)c1ccccc1 InChI=1S/C32H41N5O5S/c1-22(24-13-9-6-10-14-24)34-31(39)25-18-26(20-28(19-25)37(4)43(41,42)36(2)3)32(40)35-29(17-23-11-7-5-8-12-23)30(38)21-33-27-15-16-27/h5-14,18-20,22,27,29-30,33,38H,15-17,21H2,1-4H3,(H,34,39)(H,35,40)/t22-,29+,30-/m1/s1 RTCBCUCWGQILHI-ZDERHKTGSA-N 16414 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[(dimethylsulfamoyl)(methyl)amino]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 15 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11410903 46516654 ZINC14961391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163243 CC(C)S(=O)(=O)N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C33H42N4O5S/c1-22(2)43(41,42)37(4)29-19-26(32(39)35-23(3)25-13-9-6-10-14-25)18-27(20-29)33(40)36-30(17-24-11-7-5-8-12-24)31(38)21-34-28-15-16-28/h5-14,18-20,22-23,28,30-31,34,38H,15-17,21H2,1-4H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1 SKFPOSFEIUNPPF-YYSPBGNDSA-N 16413 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylpropane-2-sulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 14 Beta-secretase 1 Homo sapiens 41000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342476 46516653 ZINC14961387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163244 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 InChI=1S/C29H35N3O6S/c1-22(24-13-7-3-8-14-24)32-29(34)25-17-26(37-20-28(33)31-16-10-4-9-15-30)19-27(18-25)38-39(35,36)21-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-19,22H,4,9-10,15-16,20-21,30H2,1H3,(H,31,33)(H,32,34)/t22-/m1/s1 VRFDWCQNOBGUBX-JOCHJYFZSA-N 16044 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-{[(1R)-1-phenylethyl]carbamoyl}phenyl 1-phenylmethanesulfonate::oxyacetamide 3 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647286 46516311 ZINC14960457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163245 NS(=O)(=O)c1ccc(CCNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 InChI=1S/C21H24N4O4S2/c22-31(28,29)14-7-5-13(6-8-14)11-12-23-18(26)10-9-17-24-20(27)19-15-3-1-2-4-16(15)30-21(19)25-17/h5-8H,1-4,9-12H2,(H,23,26)(H2,22,28,29)(H,24,25,27) ZGBFIUQTZMDSJV-UHFFFAOYSA-N 50320653 3-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-[2-(4-sulfamoyl-phenyl)-ethyl]-propionamide::CHEMBL1165270 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6619193 104142182 CHEMBL1165270 ZINC04790650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163246 CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCCCC1 InChI=1S/C23H32N4O4S/c1-17-7-3-6-11-26(17)14-10-24-23(29)20-16-22(28)25-21-9-8-18(15-19(20)21)32(30,31)27-12-4-2-5-13-27/h8-9,15-17H,2-7,10-14H2,1H3,(H,24,29)(H,25,28) UGRNKHMKAVNUGH-UHFFFAOYSA-N 50320652 CHEMBL1164610::N-(2-(2-methylpiperidin-1-yl)ethyl)-2-oxo-6-(piperidin-1-ylsulfonyl)-1,2-dihydroquinoline-4-carboxamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15999741 104142181 CHEMBL1164610 ZINC08662088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163247 O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38) RQXROFWMWOCDPZ-UHFFFAOYSA-N 16736 N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide::Naphthyl Compound, 6a Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11613176 46516956 ZINC14962038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163248 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C27H24BrN3O3/c28-21-10-11-24(31-14-12-30(13-15-31)18-19-6-2-1-3-7-19)23(17-21)29-26(32)22-16-20-8-4-5-9-25(20)34-27(22)33/h1-11,16-17H,12-15,18H2,(H,29,32) RVLRVRRSGYQIIQ-UHFFFAOYSA-N 16740 CHEMBL206442::Coumarin Compound, 9c::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 760 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11699253 46516960 CHEMBL206442 ZINC14962061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163249 OC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)o1 InChI=1S/C26H25N7O3/c34-23(35)19-9-7-8-18(16-19)22-13-12-21(36-22)17-27-32-25-29-24(28-20-10-3-1-4-11-20)30-26(31-25)33-14-5-2-6-15-33/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,34,35)(H,28,29,30,31) QEKFGIJDEBXAOR-UHFFFAOYSA-N 50320630 3-(5-((2-(4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)hydrazono)methyl)furan-2-yl)benzoic acid::CHEMBL1164397 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933479 104142159 CHEMBL1164397 ZINC49807400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163250 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCOCC2)o1 InChI=1S/C25H21ClFN7O4/c26-20-7-1-15(13-19(20)22(35)36)21-8-6-18(38-21)14-28-33-24-30-23(29-17-4-2-16(27)3-5-17)31-25(32-24)34-9-11-37-12-10-34/h1-8,13H,9-12,14H2,(H,35,36)(H,29,30,31,32) YUZREPBNHALMTP-UHFFFAOYSA-N 50320629 2-chloro-5-(5-((2-(4-(4-fluorophenylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)furan-2-yl)benzoic acid::CHEMBL1164540 Beta-secretase 1 Homo sapiens 7100 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933478 104142158 CHEMBL1164540 ZINC49808058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163251 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)o1 InChI=1S/C26H24ClN7O3/c27-21-11-9-17(15-20(21)23(35)36)22-12-10-19(37-22)16-28-33-25-30-24(29-18-7-3-1-4-8-18)31-26(32-25)34-13-5-2-6-14-34/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,35,36)(H,29,30,31,32) XSZHZNGIPNHJJH-UHFFFAOYSA-N 50320627 2-chloro-5-(5-((2-(4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)hydrazono)methyl)furan-2-yl)benzoic acid::CHEMBL1165384 Beta-secretase 1 Homo sapiens 151800 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933477 104142156 CHEMBL1165384 ZINC09311749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163252 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 InChI=1S/C21H22N4O4S3/c1-2-11-25-20(27)18-15-5-3-4-6-16(15)31-19(18)24-21(25)30-12-17(26)23-13-7-9-14(10-8-13)32(22,28)29/h2,7-10H,1,3-6,11-12H2,(H,23,26)(H2,22,28,29) VFGXLFIRGCNKSK-UHFFFAOYSA-N 50247722 2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-(4-sulfamoyl-phenyl)-acetamide::CHEMBL517746 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1594254 104102540 CHEMBL517746 ZINC01811348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163253 COc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1 InChI=1S/C21H19N3O3/c1-27-19-10-8-17(9-11-19)23-21(26)16-6-5-7-18(14-16)22-20(25)15-24-12-3-2-4-13-24/h2-14H,15H2,1H3,(H-,22,23,25,26)/p+1 LAOKEOYENVQULP-UHFFFAOYSA-O 50320691 1-{[3-(4-Methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl}-pyridiniumchloride::CHEMBL1164437 Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906812 104142220 CHEMBL1164437 ZINC49803308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163254 Clc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1 InChI=1S/C20H16ClN3O2/c21-16-7-9-17(10-8-16)23-20(26)15-5-4-6-18(13-15)22-19(25)14-24-11-2-1-3-12-24/h1-13H,14H2,(H-,22,23,25,26)/p+1 XDUNVLHCQAWISQ-UHFFFAOYSA-O 50320690 1-{[3-(4-Chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl}-pyridiniumchloride::CHEMBL1163225 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906810 104142219 CHEMBL1163225 ZINC49583047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164263 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 RQNDBCCGDQWADT-UHFFFAOYSA-N 50231951 2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL231160::memoquin Beta-secretase 1 Homo sapiens 108 ChEMBL 10.1021/jm100293f 10.7270/Q2B56JXF 20420456 Melchiorre, C; Bolognesi, ML; Minarini, A; Rosini, M; Tumiatti, V University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91615478 104055375 CHEMBL231160 ZINC34803904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168610 CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1 InChI=1S/C30H36N8O2S2/c1-2-40-23-12-9-21(10-13-23)31-26(39)20-41-30-33-24-14-11-22(19-25(24)42-30)32-27-34-28(37-15-5-3-6-16-37)36-29(35-27)38-17-7-4-8-18-38/h9-14,19H,2-8,15-18,20H2,1H3,(H,31,39)(H,32,34,35,36) UNISJYONOYUCGF-UHFFFAOYSA-N 50329119 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(4-ethoxyphenyl)acetamide::CHEMBL1269609 Beta-secretase 1 Homo sapiens 17200 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945497 123108234 CHEMBL1269609 ZINC05949159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168612 COc1ccc(OC)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)c1 InChI=1S/C30H36N8O3S2/c1-40-21-10-12-24(41-2)23(18-21)32-26(39)19-42-30-33-22-11-9-20(17-25(22)43-30)31-27-34-28(37-13-5-3-6-14-37)36-29(35-27)38-15-7-4-8-16-38/h9-12,17-18H,3-8,13-16,19H2,1-2H3,(H,32,39)(H,31,34,35,36) AOMWCAMPIOUYDM-UHFFFAOYSA-N 50329120 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(2,5-dimethoxyphenyl)acetamide::CHEMBL1269610 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3945434 123108235 CHEMBL1269610 ZINC06289445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168613 COc1ccc(CCNC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1OC InChI=1S/C32H40N8O3S2/c1-42-25-12-9-22(19-26(25)43-2)13-14-33-28(41)21-44-32-35-24-11-10-23(20-27(24)45-32)34-29-36-30(39-15-5-3-6-16-39)38-31(37-29)40-17-7-4-8-18-40/h9-12,19-20H,3-8,13-18,21H2,1-2H3,(H,33,41)(H,34,36,37,38) UHWNBAWBSGYSFV-UHFFFAOYSA-N 50329115 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(3,4-dimethoxyphenethyl)acetamide::CHEMBL1269608 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4557993 123108230 CHEMBL1269608 ZINC08438283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168615 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCc1ccccc1 InChI=1S/C27H30N8OS2/c36-23(28-17-19-8-2-1-3-9-19)18-37-27-30-21-11-10-20(16-22(21)38-27)29-24-31-25(34-12-4-5-13-34)33-26(32-24)35-14-6-7-15-35/h1-3,8-11,16H,4-7,12-15,17-18H2,(H,28,36)(H,29,31,32,33) WKRLJPBFROHPMS-UHFFFAOYSA-N 50329113 CHEMBL1270780::N-benzyl-2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)acetamide Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329113&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4014588 123108228 CHEMBL1270780 ZINC64503663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168616 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1)N1c2ccccc2CCc2ccccc12 InChI=1S/C34H34N8O3S2/c43-30(42-27-7-3-1-5-23(27)9-10-24-6-2-4-8-28(24)42)22-46-34-36-26-12-11-25(21-29(26)47-34)35-31-37-32(40-13-17-44-18-14-40)39-33(38-31)41-15-19-45-20-16-41/h1-8,11-12,21H,9-10,13-20,22H2,(H,35,37,38,39) LJZCVHQWGJVSSK-UHFFFAOYSA-N 50329118 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(6-(4,6-dimorpholino-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)ethanone::CHEMBL1269613 Beta-secretase 1 Homo sapiens 14700 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3575784 123108233 CHEMBL1269613 ZINC08445203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168617 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1)Nc1ccccc1 InChI=1S/C28H32N8OS2/c37-24(29-20-10-4-1-5-11-20)19-38-28-31-22-13-12-21(18-23(22)39-28)30-25-32-26(35-14-6-2-7-15-35)34-27(33-25)36-16-8-3-9-17-36/h1,4-5,10-13,18H,2-3,6-9,14-17,19H2,(H,29,37)(H,30,32,33,34) IUJNILHLIWRQFX-UHFFFAOYSA-N 50329123 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-phenylacetamide::CHEMBL1271294 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949415 123108238 CHEMBL1271294 ZINC64512999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168618 CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1 InChI=1S/C28H32N8O4S2/c1-2-40-21-6-3-19(4-7-21)29-24(37)18-41-28-31-22-8-5-20(17-23(22)42-28)30-25-32-26(35-9-13-38-14-10-35)34-27(33-25)36-11-15-39-16-12-36/h3-8,17H,2,9-16,18H2,1H3,(H,29,37)(H,30,32,33,34) JACTXZKBKIWVDZ-UHFFFAOYSA-N 50329126 2-(6-(4,6-dimorpholino-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(4-ethoxyphenyl)acetamide::CHEMBL1269611 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4338097 123108241 CHEMBL1269611 ZINC08445172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168619 Cc1cccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCC4)N4CCCC4)cc3s2)c1C InChI=1S/C28H32N8OS2/c1-18-8-7-9-21(19(18)2)30-24(37)17-38-28-31-22-11-10-20(16-23(22)39-28)29-25-32-26(35-12-3-4-13-35)34-27(33-25)36-14-5-6-15-36/h7-11,16H,3-6,12-15,17H2,1-2H3,(H,30,37)(H,29,32,33,34) QHMNCQXCFBDZJP-UHFFFAOYSA-N 50329116 2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(2,3-dimethylphenyl)acetamide::CHEMBL1271192 Beta-secretase 1 Homo sapiens 2830 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329116&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3285031 123108231 CHEMBL1271192 ZINC08438025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168620 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCCOc1ccccc1 InChI=1S/C28H32N8O2S2/c37-24(29-12-17-38-21-8-2-1-3-9-21)19-39-28-31-22-11-10-20(18-23(22)40-28)30-25-32-26(35-13-4-5-14-35)34-27(33-25)36-15-6-7-16-36/h1-3,8-11,18H,4-7,12-17,19H2,(H,29,37)(H,30,32,33,34) VXQGPJJFWZFMCP-UHFFFAOYSA-N 50329117 2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(2-phenoxyethyl)acetamide::CHEMBL1270985 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4986873 123108232 CHEMBL1270985 ZINC08438023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168622 Fc1ccc(cc1)C(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1 InChI=1S/C28H30FN7OS2/c29-20-9-7-19(8-10-20)23(37)18-38-28-31-22-12-11-21(17-24(22)39-28)30-25-32-26(35-13-3-1-4-14-35)34-27(33-25)36-15-5-2-6-16-36/h7-12,17H,1-6,13-16,18H2,(H,30,32,33,34) GBFXAKXTSDZCOV-UHFFFAOYSA-N 50329122 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-1-(4-fluorophenyl)ethanone::CHEMBL1271399 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5126848 123108237 CHEMBL1271399 ZINC08438268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168627 Cc1cc(C)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)c(C)c1 InChI=1S/C29H34N8O3S2/c1-18-14-19(2)25(20(3)15-18)32-24(38)17-41-29-31-22-5-4-21(16-23(22)42-29)30-26-33-27(36-6-10-39-11-7-36)35-28(34-26)37-8-12-40-13-9-37/h4-5,14-16H,6-13,17H2,1-3H3,(H,32,38)(H,30,33,34,35) GUMMGYVJWPVMHD-UHFFFAOYSA-N 50329110 2-(6-(4,6-dimorpholino-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-mesitylacetamide::CHEMBL1269615 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4655667 123108225 CHEMBL1269615 ZINC08438211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168629 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)c1ccccc1 InChI=1S/C26H27N7OS2/c34-21(18-8-2-1-3-9-18)17-35-26-28-20-11-10-19(16-22(20)36-26)27-23-29-24(32-12-4-5-13-32)31-25(30-23)33-14-6-7-15-33/h1-3,8-11,16H,4-7,12-15,17H2,(H,27,29,30,31) JSGOGYGMXBZBNI-UHFFFAOYSA-N 50329121 2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-1-phenylethanone::CHEMBL1270779 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4334360 123108236 CHEMBL1270779 ZINC08445152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168630 CCOC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1 InChI=1S/C22H27N7O2S2/c1-2-31-18(30)14-32-22-24-16-8-7-15(13-17(16)33-22)23-19-25-20(28-9-3-4-10-28)27-21(26-19)29-11-5-6-12-29/h7-8,13H,2-6,9-12,14H2,1H3,(H,23,25,26,27) WEYJQZZTHMPTFU-UHFFFAOYSA-N 50329114 CHEMBL1270883::ethyl 2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)acetate Beta-secretase 1 Homo sapiens 1770 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329114&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1018255 123108229 CHEMBL1270883 ZINC00680536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168633 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)Nc1ccccc1 InChI=1S/C26H28N8OS2/c35-22(27-18-8-2-1-3-9-18)17-36-26-29-20-11-10-19(16-21(20)37-26)28-23-30-24(33-12-4-5-13-33)32-25(31-23)34-14-6-7-15-34/h1-3,8-11,16H,4-7,12-15,17H2,(H,27,35)(H,28,30,31,32) WDAKHEMFXZKSPO-UHFFFAOYSA-N 50329111 2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-phenylacetamide::CHEMBL1270884 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4039803 123108226 CHEMBL1270884 ZINC08445171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158920 CO[C@H](C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37-,38-,39+/m1/s1 IEIHXPJWOSDLBU-MOGFDNCJSA-N 50307356 CHEMBL601522::N-[(1S,2R,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233614 104161717 CHEMBL601522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158975 CO[C@H](CC[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O8S/c1-27(2)39(43(54)46-25-29-13-9-7-10-14-29)49-42(53)38(57-5)18-17-35(26-58-37-23-33(44)22-34(45)24-37)48-41(52)32-19-31(20-36(21-32)50(4)59(6,55)56)40(51)47-28(3)30-15-11-8-12-16-30/h7-16,19-24,27-28,35,38-39H,17-18,25-26H2,1-6H3,(H,46,54)(H,47,51)(H,48,52)(H,49,53)/t28-,35-,38-,39+/m1/s1 PEKMQMKPWDVICK-XXIRVBGBSA-N 50307355 CHEMBL601521::N-[(1S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxybutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233613 104161716 CHEMBL601521 ZINC96310999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158976 CO[C@H](C[C@H](N=[N+]=[N-])[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C43H50F2N8O8S/c1-26(2)39(43(57)47-24-28-13-9-7-10-14-28)50-42(56)38(60-5)23-36(51-52-46)37(25-61-35-21-32(44)20-33(45)22-35)49-41(55)31-17-30(18-34(19-31)53(4)62(6,58)59)40(54)48-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39H,23-25H2,1-6H3,(H,47,57)(H,48,54)(H,49,55)(H,50,56)/t27-,36+,37+,38-,39+/m1/s1 CSXLNKCIAYESSS-VWMOWEEZSA-N 50307357 CHEMBL601523::N-[(1S,2S,4R)-2-Azido-4-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233615 104161718 CHEMBL601523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158977 CO[C@H](C[C@H](N)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C43H52F2N6O8S/c1-26(2)39(43(55)47-24-28-13-9-7-10-14-28)50-42(54)38(58-5)23-36(46)37(25-59-35-21-32(44)20-33(45)22-35)49-41(53)31-17-30(18-34(19-31)51(4)60(6,56)57)40(52)48-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39H,23-25,46H2,1-6H3,(H,47,55)(H,48,52)(H,49,53)(H,50,54)/t27-,36+,37+,38-,39+/m1/s1 KLQMWGBTHMUNLP-VWMOWEEZSA-N 50307358 CHEMBL591701::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-2-amino-1-(3,5-difluoro-phenoxymethyl)-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233616 104161719 CHEMBL591701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158978 CCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C44H53F2N5O9S/c1-7-59-39(43(55)50-40(27(2)3)44(56)47-25-29-14-10-8-11-15-29)24-38(52)37(26-60-36-22-33(45)21-34(46)23-36)49-42(54)32-18-31(19-35(20-32)51(5)61(6,57)58)41(53)48-28(4)30-16-12-9-13-17-30/h8-23,27-28,37-40,52H,7,24-26H2,1-6H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t28-,37+,38+,39-,40+/m1/s1 GYSJYLOSQXEEFS-GHRGXMHASA-N 50307360 CHEMBL591699::N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-1-(3,5-difluorophenoxy)-5-ethoxy-3-hydroxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25157025 104161721 CHEMBL591699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158979 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCc1ccccc1)C(=O)NCc1ccccc1 InChI=1S/C49H55F2N5O9S/c1-31(2)45(49(61)52-28-33-15-9-6-10-16-33)55-48(60)44(65-29-34-17-11-7-12-18-34)27-43(57)42(30-64-41-25-38(50)24-39(51)26-41)54-47(59)37-21-36(22-40(23-37)56(4)66(5,62)63)46(58)53-32(3)35-19-13-8-14-20-35/h6-26,31-32,42-45,57H,27-30H2,1-5H3,(H,52,61)(H,53,58)(H,54,59)(H,55,60)/t32-,42+,43+,44-,45+/m1/s1 OTPRWIGEEPJUFE-LTJWNUKOSA-N 50307359 CHEMBL591371::N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-5-(benzyloxy)-1-(3,5-difluorophenoxy)-3-hydroxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233611 104161720 CHEMBL591371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158980 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC=C)C(=O)NCc1ccccc1 InChI=1S/C45H53F2N5O9S/c1-7-18-60-40(44(56)51-41(28(2)3)45(57)48-26-30-14-10-8-11-15-30)25-39(53)38(27-61-37-23-34(46)22-35(47)24-37)50-43(55)33-19-32(20-36(21-33)52(5)62(6,58)59)42(54)49-29(4)31-16-12-9-13-17-31/h7-17,19-24,28-29,38-41,53H,1,18,25-27H2,2-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1 SOTUTZFWJRPOEW-NDKACYJFSA-N 50307352 CHEMBL591478::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-4-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25156749 104161713 CHEMBL591478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158981 COCCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C45H55F2N5O10S/c1-28(2)41(45(57)48-26-30-13-9-7-10-14-30)51-44(56)40(61-18-17-60-5)25-39(53)38(27-62-37-23-34(46)22-35(47)24-37)50-43(55)33-19-32(20-36(21-33)52(4)63(6,58)59)42(54)49-29(3)31-15-11-8-12-16-31/h7-16,19-24,28-29,38-41,53H,17-18,25-27H2,1-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1 RSTFVOGBJGGSOD-NDKACYJFSA-N 50307361 CHEMBL591644::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide::N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide Beta-secretase 1 Homo sapiens 3.1 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307361&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MV7 3I25 25157024 104161722 CHEMBL591644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168634 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCc1ccco1 InChI=1S/C25H28N8O2S2/c34-21(26-15-18-6-5-13-35-18)16-36-25-28-19-8-7-17(14-20(19)37-25)27-22-29-23(32-9-1-2-10-32)31-24(30-22)33-11-3-4-12-33/h5-8,13-14H,1-4,9-12,15-16H2,(H,26,34)(H,27,29,30,31) NLRRMYLAONBHPG-UHFFFAOYSA-N 50329112 2-(6-(4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(furan-2-ylmethyl)acetamide::CHEMBL1271091 Beta-secretase 1 Homo sapiens 690 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3845940 123108227 CHEMBL1271091 ZINC08706731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168635 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1)NCc1ccccc1 InChI=1S/C27H30N8O3S2/c36-23(28-17-19-4-2-1-3-5-19)18-39-27-30-21-7-6-20(16-22(21)40-27)29-24-31-25(34-8-12-37-13-9-34)33-26(32-24)35-10-14-38-15-11-35/h1-7,16H,8-15,17-18H2,(H,28,36)(H,29,31,32,33) GFOMPRYCYFJXKW-UHFFFAOYSA-N 50329124 CHEMBL1269866::N-benzyl-2-(6-(4,6-dimorpholino-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)acetamide Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6616618 123108239 CHEMBL1269866 ZINC29747557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168636 Clc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1 InChI=1S/C26H27ClN8O3S2/c27-18-3-1-2-4-19(18)29-22(36)16-39-26-30-20-6-5-17(15-21(20)40-26)28-23-31-24(34-7-11-37-12-8-34)33-25(32-23)35-9-13-38-14-10-35/h1-6,15H,7-14,16H2,(H,29,36)(H,28,31,32,33) XIFLLZDHSMGOSE-UHFFFAOYSA-N 50329125 CHEMBL1270082::N-(2-chlorophenyl)-2-(6-(4,6-dimorpholino-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)acetamide Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1016/j.bmcl.2010.08.111 10.7270/Q2BG2P7Q 20850315 Xu, W; Chen, G; Zhu, W; Zuo, Z Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4531891 123108240 CHEMBL1270082 ZINC08445161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158989 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccccc1 InChI=1S/C38H42F2N4O8S/c1-24(25-11-7-5-8-12-25)41-36(46)26-15-27(17-31(16-26)44(2)23-53(4,49)50)37(47)43-33(22-52-32-19-28(39)18-29(40)20-32)34(45)21-35(51-3)38(48)42-30-13-9-6-10-14-30/h5-20,24,33-35,45H,21-23H2,1-4H3,(H,41,46)(H,42,48)(H,43,47)/t24-,33+,34+,35-/m1/s1 QPUGHQRBULQGOP-CZCCDBLPSA-N 50307375 CHEMBL589377::N-[(1S,2S,4R)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-4-phenylcarbamoylbutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233423 104161736 CHEMBL589377 ZINC96311001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158990 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C39H44F2N4O8S/c1-25(27-13-9-6-10-14-27)43-37(47)28-15-29(17-32(16-28)45(2)24-54(4,50)51)38(48)44-34(23-53-33-19-30(40)18-31(41)20-33)35(46)21-36(52-3)39(49)42-22-26-11-7-5-8-12-26/h5-20,25,34-36,46H,21-24H2,1-4H3,(H,42,49)(H,43,47)(H,44,48)/t25-,34+,35+,36-/m1/s1 KYESEZKOKGYGEV-RXDRZPENSA-N 50307376 CHEMBL589772::N-[(1S,2S,4R)-4-Benzylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxybutyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233422 104161737 CHEMBL589772 ZINC96311002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158991 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C36H46F2N4O8S/c1-22(2)19-39-36(46)33(49-5)18-32(43)31(20-50-30-16-27(37)15-28(38)17-30)41-35(45)26-12-25(13-29(14-26)42(4)21-51(6,47)48)34(44)40-23(3)24-10-8-7-9-11-24/h7-17,22-23,31-33,43H,18-21H2,1-6H3,(H,39,46)(H,40,44)(H,41,45)/t23-,31+,32+,33-/m1/s1 HGPVTNBSWPHMHD-WXHGADMPSA-N 50307377 CHEMBL603121::N-[(1S,2S,4R)-1-(3,5-Difluorophenoxymethyl)-2-hydroxy-4-isobutylcarbamoyl-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233421 104161738 CHEMBL603121 ZINC49767405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158992 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NC1CC1 InChI=1S/C35H42F2N4O8S/c1-21(22-8-6-5-7-9-22)38-33(43)23-12-24(14-28(13-23)41(2)20-50(4,46)47)34(44)40-30(19-49-29-16-25(36)15-26(37)17-29)31(42)18-32(48-3)35(45)39-27-10-11-27/h5-9,12-17,21,27,30-32,42H,10-11,18-20H2,1-4H3,(H,38,43)(H,39,45)(H,40,44)/t21-,30+,31+,32-/m1/s1 PVBIGOVSQJCVBF-WYZLOVFHSA-N 50307378 CHEMBL603120::N-[(1S,2S,4R)-4-Cyclopropylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233420 104161739 CHEMBL603120 ZINC49767403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158982 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC1CC1)C(=O)NCc1ccccc1 InChI=1S/C46H55F2N5O9S/c1-28(2)42(46(58)49-25-30-12-8-6-9-13-30)52-45(57)41(62-26-31-16-17-31)24-40(54)39(27-61-38-22-35(47)21-36(48)23-38)51-44(56)34-18-33(19-37(20-34)53(4)63(5,59)60)43(55)50-29(3)32-14-10-7-11-15-32/h6-15,18-23,28-29,31,39-42,54H,16-17,24-27H2,1-5H3,(H,49,58)(H,50,55)(H,51,56)(H,52,57)/t29-,39+,40+,41-,42+/m1/s1 BXUWRSJLPOCKMA-HQAVMTJMSA-N 50307354 CHEMBL591700::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-4-cyclopropylmethoxy-1-(3,5-difluorophenoxymethyl)-2-hydroxy-butyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233612 104161715 CHEMBL591700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158993 CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C44H55N5O9S/c1-29(2)40(44(54)45-26-31-16-10-7-11-17-31)48-43(53)39(57-5)25-38(50)37(27-58-36-20-14-9-15-21-36)47-42(52)34-22-33(23-35(24-34)49(4)28-59(6,55)56)41(51)46-30(3)32-18-12-8-13-19-32/h7-24,29-30,37-40,50H,25-28H2,1-6H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)/t30-,37+,38+,39-,40+/m1/s1 DTTSEJMKQUQGEF-CKEKOUTOSA-N 50307379 CHEMBL603119::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-phenoxymethyl-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233419 104161740 CHEMBL603119 ZINC96311003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158983 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37+,38-,39+/m1/s1 IEIHXPJWOSDLBU-VWMOWEEZSA-N 50300187 CHEMBL573106::N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE::N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens <1 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 586 3IXJ 44631838 104154548 CHEMBL573106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158984 CCCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C45H55F2N5O9S/c1-7-18-60-40(44(56)51-41(28(2)3)45(57)48-26-30-14-10-8-11-15-30)25-39(53)38(27-61-37-23-34(46)22-35(47)24-37)50-43(55)33-19-32(20-36(21-33)52(5)62(6,58)59)42(54)49-29(4)31-16-12-9-13-17-31/h8-17,19-24,28-29,38-41,53H,7,18,25-27H2,1-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1 QXBGCPSTIGHKCX-NDKACYJFSA-N 50307353 CHEMBL591491::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-propyloxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmc.2009.12.051 10.7270/Q2JH3M8X 20122837 Bjorklund, C; Adolfsson, H; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, S; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25156748 104161714 CHEMBL591491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158994 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C44H53F2N5O9S/c1-27(2)40(44(56)47-24-29-13-9-7-10-14-29)50-43(55)39(59-5)23-38(52)37(25-60-36-21-33(45)20-34(46)22-36)49-42(54)32-17-31(18-35(19-32)51(4)26-61(6,57)58)41(53)48-28(3)30-15-11-8-12-16-30/h7-22,27-28,37-40,52H,23-26H2,1-6H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t28-,37+,38+,39-,40+/m1/s1 LNBSLHNHHTYHMF-GHRGXMHASA-N 50307380 CHEMBL589771::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens <1 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233418 104161741 CHEMBL589771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158995 CO[C@H](C[C@H](O)[C@H](COc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C44H54BrN5O9S/c1-28(2)40(44(55)46-25-30-13-9-7-10-14-30)49-43(54)39(58-5)24-38(51)37(26-59-36-19-17-34(45)18-20-36)48-42(53)33-21-32(22-35(23-33)50(4)27-60(6,56)57)41(52)47-29(3)31-15-11-8-12-16-31/h7-23,28-29,37-40,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t29-,37+,38+,39-,40+/m1/s1 BUFWTBGFEPANKQ-PCLQWICYSA-N 50307381 CHEMBL603118::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(4-bromophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233417 104161742 CHEMBL603118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158996 CO[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C45H55F2N5O9S/c1-28(2)41(45(57)48-24-30-13-9-7-10-14-30)51-44(56)40(60-5)23-39(53)38(26-61-25-31-17-35(46)22-36(47)18-31)50-43(55)34-19-33(20-37(21-34)52(4)27-62(6,58)59)42(54)49-29(3)32-15-11-8-12-16-32/h7-22,28-29,38-41,53H,23-27H2,1-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1 JFXKHVNVIWMWRH-NDKACYJFSA-N 50307384 CHEMBL602914::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorobensyloxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233416 104161745 CHEMBL602914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158997 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 InChI=1S/C30H39F2N3O6/c1-4-11-35(12-5-2)30(39)20-8-6-7-19(13-20)28(37)34-25(18-41-24-15-21(31)14-22(32)16-24)26(36)17-27(40-3)29(38)33-23-9-10-23/h6-8,13-16,23,25-27,36H,4-5,9-12,17-18H2,1-3H3,(H,33,38)(H,34,37)/t25-,26-,27+/m0/s1 MEKGAXBEGHWXAG-GMQQYTKMSA-N 50307382 CHEMBL605967::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-N',N'-dipropyl-isophthalamide Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233426 104161743 CHEMBL605967 ZINC49771169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158998 CO[C@H](C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C45H56BrN5O9S/c1-29(2)41(45(56)47-25-31-13-9-7-10-14-31)50-44(55)40(59-5)24-39(52)38(27-60-26-32-17-19-36(46)20-18-32)49-43(54)35-21-34(22-37(23-35)51(4)28-61(6,57)58)42(53)48-30(3)33-15-11-8-12-16-33/h7-23,29-30,38-41,52H,24-28H2,1-6H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t30-,38+,39+,40-,41+/m1/s1 PONZXADBNJUUCG-ICKUOPHASA-N 50307385 CHEMBL589644::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(4-bromobensyloxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233415 104161746 CHEMBL589644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158999 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 InChI=1S/C31H41F2N3O6/c1-4-11-36(12-5-2)31(40)22-8-6-7-21(15-22)29(38)35-26(19-42-18-20-13-23(32)16-24(33)14-20)27(37)17-28(41-3)30(39)34-25-9-10-25/h6-8,13-16,25-28,37H,4-5,9-12,17-19H2,1-3H3,(H,34,39)(H,35,38)/t26-,27-,28+/m0/s1 QUWWAUCPQVSXGF-HZFUHODCSA-N 50307383 CHEMBL589627::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorobenzyloxymethyl)-2-hydroxy-4-methoxy-butyl]-N',N'-dipropyl-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233425 104161744 CHEMBL589627 ZINC49745579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159000 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 InChI=1S/C38H41F3N4O8S/c1-23(24-8-6-5-7-9-24)42-36(47)25-14-26(16-31(15-25)45(2)22-54(4,50)51)37(48)44-33(21-53-32-18-28(40)17-29(41)19-32)34(46)20-35(52-3)38(49)43-30-12-10-27(39)11-13-30/h5-19,23,33-35,46H,20-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,48)/t23-,33+,34+,35-/m1/s1 HBJFNYFTLFFZDE-JCWYTBOMSA-N 50307374 CHEMBL589487::N-[(1S,2S,4R)-1-(3,5-difluorophenoxymethyl)-4-(4-fluoro-phenylcarbamoyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm901168f 10.7270/Q2DR2VKN 20128595 Bjorklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Stockholm University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50307374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50307374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46233424 104161735 CHEMBL589487 ZINC96311000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162270 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 HNWIZDPHFDXSOR-BSSYVKIHSA-N 50234178 CHEMBL255838::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxam::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16043232 104055866 CHEMBL255838 ZINC95548932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162271 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C36H48N14O6/c1-20(2)28(42-32(52)25(37)19-38-36(56)31-45-49-50-46-31)34(54)41-27(17-22-12-7-4-8-13-22)33(53)40-26(16-21-10-5-3-6-11-21)29(51)35(55)39-24-15-9-14-23(18-24)30-43-47-48-44-30/h3,5-6,9-11,14-15,18,20,22,25-29,51H,4,7-8,12-13,16-17,19,37H2,1-2H3,(H,38,56)(H,39,55)(H,40,53)(H,41,54)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t25-,26-,27-,28-,29+/m0/s1 ZNHGODVQRJHRGJ-MYHRABSESA-N 50188338 CHEMBL411711::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-cyclohexylpropylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2H-tetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44414701 104072131 CHEMBL411711 ZINC95617209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162272 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 InChI=1S/C37H45FN10O10/c1-17(2)13-24(43-34(54)26(18(3)4)44-30(50)22(39)16-40-33(53)27-25(38)32(52)47-36(56)45-27)31(51)42-23(14-19-9-6-5-7-10-19)28(49)35(55)41-21-12-8-11-20(15-21)29-46-37(57)58-48-29/h5-12,15,17-18,22-24,26,28,49H,13-14,16,39H2,1-4H3,(H,40,53)(H,41,55)(H,42,51)(H,43,54)(H,44,50)(H,46,48,57)(H2,45,47,52,56)/t22-,23-,24-,26-,28+/m0/s1 NXCQPFBHQDPWNN-JYIQTIOUSA-N 50317669 CHEMBL1094659::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(4,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 7.9 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887632 104152030 CHEMBL1094659 ZINC95538516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162273 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 InChI=1S/C39H48N8O10/c1-20(2)15-29(44-37(54)31(21(3)4)45-35(52)27(40)19-41-34(51)26-18-25(48)13-14-30(26)49)36(53)43-28(16-22-9-6-5-7-10-22)32(50)38(55)42-24-12-8-11-23(17-24)33-46-39(56)57-47-33/h5-14,17-18,20-21,27-29,31-32,48-50H,15-16,19,40H2,1-4H3,(H,41,51)(H,42,55)(H,43,53)(H,44,54)(H,45,52)(H,46,47,56)/t27-,28-,29-,31-,32+/m0/s1 GJFZGRKVQLFFMP-JONZOVCNSA-N 50317670 CHEMBL1094660::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(4,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2,5-dihydroxybenzamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887633 104152031 CHEMBL1094660 ZINC95538504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162274 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C36H45FN12O8/c1-17(2)13-24(42-34(55)26(18(3)4)43-30(51)22(38)16-39-33(54)27-25(37)32(53)45-36(57)44-27)31(52)41-23(14-19-9-6-5-7-10-19)28(50)35(56)40-21-12-8-11-20(15-21)29-46-48-49-47-29/h5-12,15,17-18,22-24,26,28,50H,13-14,16,38H2,1-4H3,(H,39,54)(H,40,56)(H,41,52)(H,42,55)(H,43,51)(H2,44,45,53,57)(H,46,47,48,49)/t22-,23-,24-,26-,28+/m0/s1 FZBBWULCGLQILA-JYIQTIOUSA-N 50188339 CHEMBL380381::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44414827 104072132 CHEMBL380381 ZINC95612919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162275 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1 FWQPAHHKYLASJX-WBAQKLHDSA-N 50182871 CHEMBL381826::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2Htetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962092 104067486 CHEMBL381826 ZINC34803864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162276 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 InChI=1S/C37H45FN10O9S/c1-17(2)13-24(43-34(54)26(18(3)4)44-30(50)22(39)16-40-33(53)27-25(38)32(52)47-36(56)45-27)31(51)42-23(14-19-9-6-5-7-10-19)28(49)35(55)41-21-12-8-11-20(15-21)29-46-37(58)57-48-29/h5-12,15,17-18,22-24,26,28,49H,13-14,16,39H2,1-4H3,(H,40,53)(H,41,55)(H,42,51)(H,43,54)(H,44,50)(H,46,48,58)(H2,45,47,52,56)/t22-,23-,24-,26-,28+/m0/s1 SLYMHKOICKJMFY-JYIQTIOUSA-N 50317671 CHEMBL1094663::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(4,5-Dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887636 104152032 CHEMBL1094663 ZINC95535772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162277 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 InChI=1S/C39H48N8O9S/c1-20(2)15-29(44-37(54)31(21(3)4)45-35(52)27(40)19-41-34(51)26-18-25(48)13-14-30(26)49)36(53)43-28(16-22-9-6-5-7-10-22)32(50)38(55)42-24-12-8-11-23(17-24)33-46-39(57)56-47-33/h5-14,17-18,20-21,27-29,31-32,48-50H,15-16,19,40H2,1-4H3,(H,41,51)(H,42,55)(H,43,53)(H,44,54)(H,45,52)(H,46,47,57)/t27-,28-,29-,31-,32+/m0/s1 CZVXRMPJUHIDKH-JONZOVCNSA-N 50317672 CHEMBL1094664::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(4,5-Dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-methylbutylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2,5-dihydroxybenzamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmc.2010.03.032 10.7270/Q26M36ZV 20381362 Tagad, HD; Hamada, Y; Nguyen, JT; Hamada, T; Abdel-Rahman, H; Yamani, A; Nagamine, A; Ikari, H; Igawa, N; Hidaka, K; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887637 104152033 CHEMBL1094664 ZINC95538445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163338 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3cccc(O)c3cc21 InChI=1S/C20H18O4/c1-20-6-5-16(22)13-9-24-19(17(13)20)18(23)12-7-10-3-2-4-15(21)11(10)8-14(12)20/h2-4,7-8,13,16,21-22H,5-6,9H2,1H3/t13-,16-,20-/m0/s1 DAYSNTVCOKAADT-RISOHXOYSA-N 50321129 CHEMBL1163540::Xestosaprol K Beta-secretase 1 Homo sapiens 93000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849025 104142658 CHEMBL1163540 ZINC49589108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163339 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163340 C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 InChI=1S/C22H22O5/c1-22-6-5-17(24)15-11-27-21(19(15)22)20(25)14-10-13-12(9-16(14)22)3-2-4-18(13)26-8-7-23/h2-4,9-10,15,17,23-24H,5-8,11H2,1H3/t15-,17+,22-/m0/s1 CMIANYWOWFNDPD-JIGPKXGUSA-N 50321126 CHEMBL1165416::Xestosaprol H Beta-secretase 1 Homo sapiens 82000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849022 104142655 CHEMBL1165416 ZINC49808011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163341 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(O)cccc3cc21 InChI=1S/C20H18O4/c1-20-6-5-16(22)13-9-24-19(17(13)20)18(23)12-8-11-10(7-14(12)20)3-2-4-15(11)21/h2-4,7-8,13,16,21-22H,5-6,9H2,1H3/t13-,16-,20-/m0/s1 ZCKSAIKPFFVAIA-RISOHXOYSA-N 50321125 CHEMBL1164757::Xestosaprol G Beta-secretase 1 Homo sapiens 155000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849021 104142654 CHEMBL1164757 ZINC49807958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163342 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 InChI=1S/C22H22O5/c1-22-6-5-17(24)15-11-27-21(19(15)22)20(25)14-10-13-12(9-16(14)22)3-2-4-18(13)26-8-7-23/h2-4,9-10,15,17,23-24H,5-8,11H2,1H3/t15-,17-,22-/m0/s1 CMIANYWOWFNDPD-YHEJKZAPSA-N 50321124 CHEMBL1164756::Xestosaprol F Beta-secretase 1 Homo sapiens 135000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46848865 104142653 CHEMBL1164756 ZINC49807957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163343 COc1cccc2cc3C(=O)C4=C5[C@@H](CO4)[C@@H](O)CC[C@@]5(C)c3cc12 InChI=1S/C21H20O4/c1-21-7-6-16(22)14-10-25-20(18(14)21)19(23)13-8-11-4-3-5-17(24-2)12(11)9-15(13)21/h3-5,8-9,14,16,22H,6-7,10H2,1-2H3/t14-,16-,21-/m0/s1 QJSFVVLTMIIKEG-HTZUNMPGSA-N 50321128 CHEMBL1163895::Xestosaprol J Beta-secretase 1 Homo sapiens 90000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849024 104142657 CHEMBL1163895 ZINC49802924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163344 C[C@@]12CCCc3coc(c13)C(=O)c1cc3ccccc3cc21 InChI=1S/C20H16O2/c1-20-8-4-7-14-11-22-19(17(14)20)18(21)15-9-12-5-2-3-6-13(12)10-16(15)20/h2-3,5-6,9-11H,4,7-8H2,1H3/t20-/m0/s1 OGCUHWUZNVTRNC-FQEVSTJZSA-N 50321131 CHEMBL1163828::Xestosaprol M Beta-secretase 1 Homo sapiens 104000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849027 104142660 CHEMBL1163828 ZINC49802844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163345 C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 InChI=1S/C20H18O3/c1-20-7-6-16(21)14-10-23-19(17(14)20)18(22)13-8-11-4-2-3-5-12(11)9-15(13)20/h2-5,8-9,14,16,21H,6-7,10H2,1H3/t14-,16+,20-/m0/s1 PWROZXKBOIMYBW-NBQZKYEYSA-N 50321127 CHEMBL1164484::Xestosaprol I Beta-secretase 1 Homo sapiens 163000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849023 104142656 CHEMBL1164484 ZINC49808293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163346 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 InChI=1S/C20H18O3/c1-20-7-6-16(21)14-10-23-19(17(14)20)18(22)13-8-11-4-2-3-5-12(11)9-15(13)20/h2-5,8-9,14,16,21H,6-7,10H2,1H3/t14-,16-,20-/m0/s1 PWROZXKBOIMYBW-UVFQYZLESA-N 50321130 CHEMBL1163545::Xestosaprol L Beta-secretase 1 Homo sapiens 98000 ChEMBL 10.1021/np100203x 10.7270/Q2M32VXF 20503979 Dai, J; Sorribas, A; Yoshida, WY; Kelly, M; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46849026 104142659 CHEMBL1163545 ZINC49589238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168722 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF InChI=1S/C21H18F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h4,6-11,13,19H,3,12H2,1H3,(H2,25,26)/t21-/m1/s1 ONIZYHRXWWCZPM-OAQYLSRUSA-N 50329547 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271141 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943292 123108662 CHEMBL1271141 ZINC64527852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168723 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/m1/s1 GABMJOBOOPAAAJ-HSZRJFAPSA-N 50329548 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-fluorohex-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271142 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948154 123108663 CHEMBL1271142 ZINC64527853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168724 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCC(F)F)c1 InChI=1S/C19H16F5N3O3/c1-27-16(28)19(26-18(27)25,10-2-5-12(6-3-10)30-17(23)24)11-4-7-13(20)14(8-11)29-9-15(21)22/h2-8,15,17H,9H2,1H3,(H2,25,26)/t19-/m1/s1 KIAGCWNNPCJGFV-LJQANCHMSA-N 50329564 (R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270339 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946545 123108679 CHEMBL1270339 ZINC35261808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168725 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 RNJTYVPMRSKRKE-HXUWFJFHSA-N 50303731 (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one::(R)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL568115 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 569 3INH 11539562 104158092 CHEMBL568115 ZINC34631070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168726 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCC=C(F)F)c1 InChI=1S/C21H18F5N3O3/c1-29-18(30)21(28-20(29)27,12-4-7-14(8-5-12)32-19(25)26)13-6-9-15(22)16(11-13)31-10-2-3-17(23)24/h3-9,11,19H,2,10H2,1H3,(H2,27,28)/t21-/m1/s1 LBGKTMHMJXSPFM-OAQYLSRUSA-N 50329566 (R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270436 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948201 123108681 CHEMBL1270436 ZINC35261911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168727 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\C2CC2)c1 InChI=1S/C22H21F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,7-14,20H,5-6H2,1H3,(H2,25,26)/b8-7+/t22-/m1/s1 FTTYYLWQRQSZMF-VQKOGROQSA-N 50329534 (R,E)-2-amino-4-(3-(2-cyclopropylvinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270434 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948200 123108649 CHEMBL1270434 ZINC64527828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168728 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)F)c1 InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-5-7-14(8-6-12)30-18(23)24)13-3-2-4-15(11-13)29-10-9-16(21)22/h2-8,11,16,18H,9-10H2,1H3,(H2,25,26)/t20-/m1/s1 QCXKTZFBYUONCU-HXUWFJFHSA-N 50329565 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3,3-difluoropropoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270435 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943334 123108680 CHEMBL1270435 ZINC64511866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168729 C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H19F2N3O3/c1-13(27)6-7-14-4-3-5-16(12-14)21(18(28)26(2)20(24)25-21)15-8-10-17(11-9-15)29-19(22)23/h3-5,8-13,19,27H,1-2H3,(H2,24,25)/t13-,21-/m1/s1 OAZKNZSYNJQFFL-LRTDBIEQSA-N 50329555 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-((R)-3-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1269920 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944681 123108670 CHEMBL1269920 ZINC64527662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168730 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1 JWLSQAAJQTZDQT-HSZRJFAPSA-N 50329570 (R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270432 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25070193 123108685 CHEMBL1270432 ZINC64528014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168731 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO InChI=1S/C23H23F2N3O3/c1-28-20(30)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-2-3-5-14-29/h6,8-13,15,21,29H,2-3,5,14H2,1H3,(H2,26,27)/t23-/m1/s1 WBFOZABJJNJWHS-HSZRJFAPSA-N 50329556 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-hydroxyhex-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1269921 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944682 123108671 CHEMBL1269921 ZINC64527504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168732 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CC(F)F)c1 InChI=1S/C21H19F4N3O2/c1-28-18(29)21(27-20(28)26,14-8-10-16(11-9-14)30-19(24)25)15-6-2-4-13(12-15)5-3-7-17(22)23/h2-6,8-12,17,19H,7H2,1H3,(H2,26,27)/b5-3+/t21-/m1/s1 VSAWCPRVIUYQEL-LAEWNIMASA-N 50329533 (R,E)-2-amino-4-(3-(4,4-difluorobut-1-enyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270433 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943333 123108648 CHEMBL1270433 ZINC35269182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168733 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168734 CCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H23F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3-4,6H2,1-2H3,(H2,24,25)/t21-/m1/s1 VPAPXCBKEQELKC-OAQYLSRUSA-N 50329525 (R)-2-amino-4-(3-butylphenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270727 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16113965 123108640 CHEMBL1270727 ZINC35262403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168735 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1 JZQHTDKITQYMAR-JOCHJYFZSA-N 50329569 (R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270335 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25127622 123108684 CHEMBL1270335 ZINC64512024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168736 COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C22H20F3N3O3/c1-13-11-15(7-9-18(13)31-20(24)25)22(19(29)28(2)21(26)27-22)16-6-8-17(23)14(12-16)5-4-10-30-3/h6-9,11-12,20H,10H2,1-3H3,(H2,26,27)/t22-/m1/s1 UUDUVLNYHIGWDK-JOCHJYFZSA-N 50329568 (R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270334 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25072741 123108683 CHEMBL1270334 ZINC64512023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168737 COCCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C23H25F2N3O3/c1-28-20(29)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-3-5-14-30-2/h4,6-13,15,21H,3,5,14H2,1-2H3,(H2,26,27)/b7-4+/t23-/m1/s1 OFPOWFKJFLXISF-KURNWNDPSA-N 50329539 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-methoxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270729 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943269 123108654 CHEMBL1270729 ZINC35269190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168738 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCF)c1 InChI=1S/C21H20F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h2,4-11,13,19H,3,12H2,1H3,(H2,25,26)/b5-2+/t21-/m1/s1 LMLIBMAHTWKELB-XGLIRFAXSA-N 50329532 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270337 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940974 123108647 CHEMBL1270337 ZINC35261527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168739 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(F)CCCF InChI=1S/C21H21F4N3O2/c1-28-18(29)21(27-20(28)26,14-7-9-16(10-8-14)30-19(24)25)15-5-2-4-13(12-15)17(23)6-3-11-22/h2,4-5,7-10,12,17,19H,3,6,11H2,1H3,(H2,26,27)/t17?,21-/m1/s1 YLNRJQOYJWXWBO-FBLFFUNLSA-N 50329531 (4R)-2-amino-4-(3-(1,4-difluorobutyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270336 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940973 123108646 CHEMBL1270336 ZINC35269113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168740 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCO)c1 InChI=1S/C21H21F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h2,4-11,13,19,27H,3,12H2,1H3,(H2,24,25)/b5-2+/t21-/m1/s1 CFBIDEYPDUUIGT-XGLIRFAXSA-N 50329540 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270730 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946915 123108655 CHEMBL1270730 ZINC35269353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168741 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC(F)F)c1 InChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-5-7-13(8-6-11)29-17(22)23)12-3-2-4-14(9-12)28-10-15(20)21/h2-9,15,17H,10H2,1H3,(H2,24,25)/t19-/m1/s1 RFTVUHNWLSBSCT-LJQANCHMSA-N 50329563 (R)-2-amino-4-(3-(2,2-difluoroethoxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270338 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943373 123108678 CHEMBL1270338 ZINC35261662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168742 CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1 RIIMHERUTFJZHJ-HXUWFJFHSA-N 50329543 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(prop-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270934 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942848 123108658 CHEMBL1270934 ZINC64512071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168743 CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H19F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3H2,1-2H3,(H2,24,25)/t21-/m1/s1 AIUNZLDXXBFOSW-OAQYLSRUSA-N 50329544 (R)-2-amino-4-(3-(but-1-ynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270935 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948146 123108659 CHEMBL1270935 ZINC64512187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168744 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)/t21-/m1/s1 JFVCKHOQNLFVNL-OAQYLSRUSA-N 50329515 (R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271140 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946950 123108630 CHEMBL1271140 ZINC45246009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168745 CN1C(N)=N[C@](C1=O)(c1ccc(OCCF)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-29-21(30)23(28-22(29)26,16-7-9-18(10-8-16)31-13-11-24)17-5-2-4-15(14-17)19-6-3-12-27-20(19)25/h2-10,12,14H,11,13H2,1H3,(H2,26,28)/t23-/m1/s1 IWNLEEUFYZWVMW-HSZRJFAPSA-N 50329520 (R)-2-amino-4-(4-(2-fluoroethoxy)phenyl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271450 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946966 123108635 CHEMBL1271450 ZINC64514102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168746 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)(F)F)cc1 InChI=1S/C17H14F3N3O2/c1-23-14(24)16(22-15(23)21,11-5-3-2-4-6-11)12-7-9-13(10-8-12)25-17(18,19)20/h2-10H,1H3,(H2,21,22)/t16-/m0/s1 TVFYWSHHVQUWML-INIZCTEOSA-N 50329521 (S)-2-amino-1-methyl-4-phenyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271451 Beta-secretase 1 Homo sapiens 1420 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940915 123108636 CHEMBL1271451 ZINC64514105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168747 COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1 TZGLGDNNNMVJMI-JOCHJYFZSA-N 50329553 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-methoxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271452 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948174 123108668 CHEMBL1271452 ZINC64514106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168748 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/t21-/m1/s1 KMESKSVXSOFRDY-OAQYLSRUSA-N 50329554 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271453 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943302 123108669 CHEMBL1271453 ZINC35262561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168749 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168750 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#C InChI=1S/C19H15F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h1,4-11,17H,2H3,(H2,22,23)/t19-/m1/s1 SFYRCFTWDHROKH-LJQANCHMSA-N 50329542 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-ethynylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270833 Beta-secretase 1 Homo sapiens 3140 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940883 123108657 CHEMBL1270833 ZINC64526955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168751 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1 InChI=1S/C25H25F2N3O2/c1-30-22(31)25(29-24(30)28,19-12-14-21(15-13-19)32-23(26)27)20-9-5-8-18(16-20)11-10-17-6-3-2-4-7-17/h5,8-9,12-17,23H,2-4,6-7H2,1H3,(H2,28,29)/t25-/m1/s1 WUXAVDKYNWCPLF-RUZDIDTESA-N 50329551 (R)-2-amino-4-(3-(cyclohexylethynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271345 Beta-secretase 1 Homo sapiens 4320 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942030 123108666 CHEMBL1271345 ZINC64512888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168752 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCCO)c1 InChI=1S/C22H23F2N3O3/c1-27-19(29)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-2-4-13-28/h3,5-12,14,20,28H,2,4,13H2,1H3,(H2,25,26)/b6-3+/t22-/m1/s1 AVTLPQHFOWVUGZ-XRRIUQSZSA-N 50329541 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-hydroxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270832 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944109 123108656 CHEMBL1270832 ZINC35269343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168753 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,15-8-10-17(29-2)11-9-15)16-6-3-5-14(13-16)18-7-4-12-25-19(18)23/h3-13H,1-2H3,(H2,24,26)/t22-/m1/s1 RIWZSRFUUJMOEH-JOCHJYFZSA-N 50329519 (R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxyphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271344 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940827 123108634 CHEMBL1271344 ZINC64512885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168754 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)cc1 InChI=1S/C17H15F2N3O2/c1-22-14(23)17(21-16(22)20,11-5-3-2-4-6-11)12-7-9-13(10-8-12)24-15(18)19/h2-10,15H,1H3,(H2,20,21)/t17-/m0/s1 KODRKDOVQWYORQ-KRWDZBQOSA-N 50329518 (S)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL1271343 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16113753 123108633 CHEMBL1271343 ZINC35262243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168755 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCC(F)F)c1 InChI=1S/C19H16F5N3O3/c1-27-16(28)19(26-18(27)25,10-2-5-12(6-3-10)30-17(23)24)11-4-7-13(20)14(8-11)29-9-15(21)22/h2-8,15,17H,9H2,1H3,(H2,25,26)/t19-/m1/s1 KIAGCWNNPCJGFV-LJQANCHMSA-N 50329564 (R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270339 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946545 123108679 CHEMBL1270339 ZINC35261808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168756 COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/t21-/m1/s1 IXGXVDWUAASEAH-OAQYLSRUSA-N 50329552 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271346 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944421 123108667 CHEMBL1271346 ZINC64512890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168757 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCO)c1 InChI=1S/C21H21F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h2,4-11,13,19,27H,3,12H2,1H3,(H2,24,25)/b5-2+/t21-/m1/s1 CFBIDEYPDUUIGT-XGLIRFAXSA-N 50329540 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270730 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946915 123108655 CHEMBL1270730 ZINC35269353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168758 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC(F)F)c1 InChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-5-7-13(8-6-11)29-17(22)23)12-3-2-4-14(9-12)28-10-15(20)21/h2-9,15,17H,10H2,1H3,(H2,24,25)/t19-/m1/s1 RFTVUHNWLSBSCT-LJQANCHMSA-N 50329563 (R)-2-amino-4-(3-(2,2-difluoroethoxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270338 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943373 123108678 CHEMBL1270338 ZINC35261662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168759 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(F)CCCF InChI=1S/C21H21F4N3O2/c1-28-18(29)21(27-20(28)26,14-7-9-16(10-8-14)30-19(24)25)15-5-2-4-13(12-15)17(23)6-3-11-22/h2,4-5,7-10,12,17,19H,3,6,11H2,1H3,(H2,26,27)/t17?,21-/m1/s1 YLNRJQOYJWXWBO-FBLFFUNLSA-N 50329531 (4R)-2-amino-4-(3-(1,4-difluorobutyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270336 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940973 123108646 CHEMBL1270336 ZINC35269113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168760 COCCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C23H25F2N3O3/c1-28-20(29)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-3-5-14-30-2/h4,6-13,15,21H,3,5,14H2,1-2H3,(H2,26,27)/b7-4+/t23-/m1/s1 OFPOWFKJFLXISF-KURNWNDPSA-N 50329539 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-methoxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270729 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943269 123108654 CHEMBL1270729 ZINC35269190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168761 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCF)c1 InChI=1S/C21H20F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h2,4-11,13,19H,3,12H2,1H3,(H2,25,26)/b5-2+/t21-/m1/s1 LMLIBMAHTWKELB-XGLIRFAXSA-N 50329532 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270337 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940974 123108647 CHEMBL1270337 ZINC35261527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168762 COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C22H20F3N3O3/c1-13-11-15(7-9-18(13)31-20(24)25)22(19(29)28(2)21(26)27-22)16-6-8-17(23)14(12-16)5-4-10-30-3/h6-9,11-12,20H,10H2,1-3H3,(H2,26,27)/t22-/m1/s1 UUDUVLNYHIGWDK-JOCHJYFZSA-N 50329568 (R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270334 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25072741 123108683 CHEMBL1270334 ZINC64512023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168763 CCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H23F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3-4,6H2,1-2H3,(H2,24,25)/t21-/m1/s1 VPAPXCBKEQELKC-OAQYLSRUSA-N 50329525 (R)-2-amino-4-(3-butylphenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270727 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16113965 123108640 CHEMBL1270727 ZINC35262403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168764 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1 JZQHTDKITQYMAR-JOCHJYFZSA-N 50329569 (R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270335 Beta-secretase 1 Homo sapiens 20.0 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25127622 123108684 CHEMBL1270335 ZINC64512024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168765 CCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C19H19F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h4-11,17H,3H2,1-2H3,(H2,22,23)/t19-/m1/s1 NZFUCYDGINQVLA-LJQANCHMSA-N 50329523 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-ethylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1269919 Beta-secretase 1 Homo sapiens 1120 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947147 123108638 CHEMBL1269919 ZINC64527660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168766 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H17F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h3-10,16H,1-2H3,(H2,21,22)/t18-/m0/s1 DIBLNVRMNVPDAB-SFHVURJKSA-N 50329516 (S)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL1270431 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25070195 123108631 CHEMBL1270431 ZINC64528013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168767 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OCCF)cc1 InChI=1S/C18H18FN3O2/c1-22-16(23)18(21-17(22)20,13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-12-11-19/h2-10H,11-12H2,1H3,(H2,20,21)/t18-/m0/s1 WKKSAUFKGYEBTL-SFHVURJKSA-N 50329522 (S)-2-amino-4-(4-(2-fluoroethoxy)phenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL1269918 Beta-secretase 1 Homo sapiens 2450 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942291 123108637 CHEMBL1269918 ZINC64527824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168768 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO InChI=1S/C23H23F2N3O3/c1-28-20(30)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-2-3-5-14-29/h6,8-13,15,21,29H,2-3,5,14H2,1H3,(H2,26,27)/t23-/m1/s1 WBFOZABJJNJWHS-HSZRJFAPSA-N 50329556 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-hydroxyhex-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1269921 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944682 123108671 CHEMBL1269921 ZINC64527504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168769 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CC(F)F)c1 InChI=1S/C21H19F4N3O2/c1-28-18(29)21(27-20(28)26,14-8-10-16(11-9-14)30-19(24)25)15-6-2-4-13(12-15)5-3-7-17(22)23/h2-6,8-12,17,19H,7H2,1H3,(H2,26,27)/b5-3+/t21-/m1/s1 VSAWCPRVIUYQEL-LAEWNIMASA-N 50329533 (R,E)-2-amino-4-(3-(4,4-difluorobut-1-enyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270433 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943333 123108648 CHEMBL1270433 ZINC35269182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168770 C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H19F2N3O3/c1-13(27)6-7-14-4-3-5-16(12-14)21(18(28)26(2)20(24)25-21)15-8-10-17(11-9-15)29-19(22)23/h3-5,8-13,19,27H,1-2H3,(H2,24,25)/t13-,21-/m1/s1 OAZKNZSYNJQFFL-LRTDBIEQSA-N 50329555 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-((R)-3-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1269920 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944681 123108670 CHEMBL1269920 ZINC64527662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168771 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1 JWLSQAAJQTZDQT-HSZRJFAPSA-N 50329570 (R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270432 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25070193 123108685 CHEMBL1270432 ZINC64528014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168772 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)F)c1 InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-5-7-14(8-6-12)30-18(23)24)13-3-2-4-15(11-13)29-10-9-16(21)22/h2-8,11,16,18H,9-10H2,1H3,(H2,25,26)/t20-/m1/s1 QCXKTZFBYUONCU-HXUWFJFHSA-N 50329565 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3,3-difluoropropoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270435 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943334 123108680 CHEMBL1270435 ZINC64511866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168773 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\C2CC2)c1 InChI=1S/C22H21F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,7-14,20H,5-6H2,1H3,(H2,25,26)/b8-7+/t22-/m1/s1 FTTYYLWQRQSZMF-VQKOGROQSA-N 50329534 (R,E)-2-amino-4-(3-(2-cyclopropylvinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270434 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948200 123108649 CHEMBL1270434 ZINC64527828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168774 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCC=C(F)F)c1 InChI=1S/C21H18F5N3O3/c1-29-18(30)21(28-20(29)27,12-4-7-14(8-5-12)32-19(25)26)13-6-9-15(22)16(11-13)31-10-2-3-17(23)24/h3-9,11,19H,2,10H2,1H3,(H2,27,28)/t21-/m1/s1 LBGKTMHMJXSPFM-OAQYLSRUSA-N 50329566 (R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270436 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948201 123108681 CHEMBL1270436 ZINC35261911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168775 CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1 GRSRJXGZMHCKBH-JOCHJYFZSA-N 50329545 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(pent-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271036 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940810 123108660 CHEMBL1271036 ZINC64528067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168776 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF InChI=1S/C20H16F3N3O2/c1-26-17(27)20(25-19(26)24,14-7-9-16(10-8-14)28-18(22)23)15-6-2-4-13(12-15)5-3-11-21/h2,4,6-10,12,18H,11H2,1H3,(H2,24,25)/t20-/m1/s1 ISEUMJDSFGLAOC-HXUWFJFHSA-N 50329546 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-fluoroprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271037 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944411 123108661 CHEMBL1271037 ZINC35261535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168778 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCF)c1 InChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-2-5-13(6-3-11)29-17(22)23)12-4-7-14(21)15(10-12)28-9-8-20/h2-7,10,17H,8-9H2,1H3,(H2,24,25)/t19-/m1/s1 GAFZVIRMFXBSMI-LJQANCHMSA-N 50329557 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(2-fluoroethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270028 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947103 123108672 CHEMBL1270028 ZINC64513045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168779 CCCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H25F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-5,7H2,1-2H3,(H2,25,26)/t22-/m1/s1 GPIGHALYCORADP-JOCHJYFZSA-N 50329526 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-pentylphenyl)-1H-imidazol-5(4H)-one::CHEMBL1270027 Beta-secretase 1 Homo sapiens 530 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941021 123108641 CHEMBL1270027 ZINC35262405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168780 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCF)c1 InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-3-6-14(7-4-12)30-18(23)24)13-5-8-15(22)16(11-13)29-10-2-9-21/h3-8,11,18H,2,9-10H2,1H3,(H2,25,26)/t20-/m1/s1 ZPKMNSUSQSIWHS-HXUWFJFHSA-N 50329558 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(3-fluoropropoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270029 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16113206 123108673 CHEMBL1270029 ZINC35261802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168781 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3440 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168782 CCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C20H21F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,3,5H2,1-2H3,(H2,23,24)/t20-/m1/s1 VMBIBWHPLPIGJF-HXUWFJFHSA-N 50329524 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one::CHEMBL1270026 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16038399 123108639 CHEMBL1270026 ZINC34875817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168783 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)cc1 InChI=1S/C17H15F2N3O2/c1-22-14(23)17(21-16(22)20,11-5-3-2-4-6-11)12-7-9-13(10-8-12)24-15(18)19/h2-10,15H,1H3,(H2,20,21)/t17-/m0/s1 KODRKDOVQWYORQ-KRWDZBQOSA-N 50329518 (S)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL1271343 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16113753 123108633 CHEMBL1271343 ZINC35262243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168784 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,15-8-10-17(29-2)11-9-15)16-6-3-5-14(13-16)18-7-4-12-25-19(18)23/h3-13H,1-2H3,(H2,24,26)/t22-/m1/s1 RIWZSRFUUJMOEH-JOCHJYFZSA-N 50329519 (R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxyphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271344 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940827 123108634 CHEMBL1271344 ZINC64512885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168785 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCCO)c1 InChI=1S/C22H23F2N3O3/c1-27-19(29)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-2-4-13-28/h3,5-12,14,20,28H,2,4,13H2,1H3,(H2,25,26)/b6-3+/t22-/m1/s1 AVTLPQHFOWVUGZ-XRRIUQSZSA-N 50329541 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-hydroxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270832 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944109 123108656 CHEMBL1270832 ZINC35269343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168786 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1 InChI=1S/C25H25F2N3O2/c1-30-22(31)25(29-24(30)28,19-12-14-21(15-13-19)32-23(26)27)20-9-5-8-18(16-20)11-10-17-6-3-2-4-7-17/h5,8-9,12-17,23H,2-4,6-7H2,1H3,(H2,28,29)/t25-/m1/s1 WUXAVDKYNWCPLF-RUZDIDTESA-N 50329551 (R)-2-amino-4-(3-(cyclohexylethynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271345 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942030 123108666 CHEMBL1271345 ZINC64512888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168787 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#C InChI=1S/C19H15F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h1,4-11,17H,2H3,(H2,22,23)/t19-/m1/s1 SFYRCFTWDHROKH-LJQANCHMSA-N 50329542 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-ethynylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270833 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940883 123108657 CHEMBL1270833 ZINC64526955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168788 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1 WQGSTVFPWRFZTI-JOCHJYFZSA-N 50329550 (R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271246 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25127621 123108665 CHEMBL1271246 ZINC64503982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168789 COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/t21-/m1/s1 IXGXVDWUAASEAH-OAQYLSRUSA-N 50329552 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271346 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944421 123108667 CHEMBL1271346 ZINC64512890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168790 CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1 UPNDWOIUFRVACM-JOCHJYFZSA-N 50329549 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(3-methylbut-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271245 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52950127 123108664 CHEMBL1271245 ZINC64503979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168791 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H17F3N4O2/c1-29-19(30)22(28-21(29)26,14-7-9-16(10-8-14)31-20(24)25)15-5-2-4-13(12-15)17-6-3-11-27-18(17)23/h2-12,20H,1H3,(H2,26,28)/t22-/m1/s1 OMAQNCHXLTWMDV-JOCHJYFZSA-N 50329517 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271244 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942108 123108632 CHEMBL1271244 ZINC64503977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168792 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OC(F)F)c1 InChI=1S/C18H15F4N3O3/c1-25-14(26)18(24-17(25)23,10-5-7-12(8-6-10)27-15(19)20)11-3-2-4-13(9-11)28-16(21)22/h2-9,15-16H,1H3,(H2,23,24)/t18-/m1/s1 GUZQFYDEDMEBAJ-GOSISDBHSA-N 50329562 (R)-2-amino-4-(3-(difluoromethoxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270241 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25154200 123108677 CHEMBL1270241 ZINC64504108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168793 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168794 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC2CC2)c1 InChI=1S/C21H21F2N3O3/c1-26-18(27)21(25-20(26)24,14-7-9-16(10-8-14)29-19(22)23)15-3-2-4-17(11-15)28-12-13-5-6-13/h2-4,7-11,13,19H,5-6,12H2,1H3,(H2,24,25)/t21-/m1/s1 USFLEPKOIMSGCK-OAQYLSRUSA-N 50329561 (R)-2-amino-4-(3-(cyclopropylmethoxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270240 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941677 123108676 CHEMBL1270240 ZINC35261658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168795 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC#N)c1 InChI=1S/C21H20F2N4O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-24/h4,6-11,13,19H,2-3,5H2,1H3,(H2,25,26)/t21-/m1/s1 ULZNRCLZOZGAEO-OAQYLSRUSA-N 50329529 (R)-4-(3-(2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)butanenitrile::CHEMBL1270238 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941030 123108644 CHEMBL1270238 ZINC35269180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168796 CN1C(N)=N[C@@](C1=O)(c1cccc(c1)C#CC1CC1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C23H21F2N3O2/c1-14-12-18(10-11-19(14)30-21(24)25)23(20(29)28(2)22(26)27-23)17-5-3-4-16(13-17)9-8-15-6-7-15/h3-5,10-13,15,21H,6-7H2,1-2H3,(H2,26,27)/t23-/m0/s1 PWZLUGHNDYWEDU-QHCPKHFHSA-N 50329573 (S)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270630 Beta-secretase 1 Homo sapiens 15.0 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25072736 123108688 CHEMBL1270630 ZINC64526665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168797 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(=O)CCCF InChI=1S/C21H20F3N3O3/c1-27-18(29)21(26-20(27)25,14-7-9-16(10-8-14)30-19(23)24)15-5-2-4-13(12-15)17(28)6-3-11-22/h2,4-5,7-10,12,19H,3,6,11H2,1H3,(H2,25,26)/t21-/m1/s1 PRNMLFQWYSZETJ-OAQYLSRUSA-N 50329530 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobutanoyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270239 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947109 123108645 CHEMBL1270239 ZINC35261905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168798 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CCF InChI=1S/C21H17F4N3O2/c1-12-10-14(6-8-17(12)30-19(24)25)21(18(29)28(2)20(26)27-21)15-5-7-16(23)13(11-15)4-3-9-22/h5-8,10-11,19H,9H2,1-2H3,(H2,26,27)/t21-/m1/s1 JSGHRZJQFUOCAI-OAQYLSRUSA-N 50329574 (R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(3-fluoroprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270631 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949466 123108689 CHEMBL1270631 ZINC64526949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168799 COC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H21F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3-11,13,19H,12H2,1-2H3,(H2,24,25)/b6-4+/t21-/m1/s1 MXYBHZMUJGWLNJ-KOXUSJRISA-N 50329537 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-methoxyprop-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270628 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52950209 123108652 CHEMBL1270628 ZINC35269347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168800 COCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H23F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h3,5-12,14,20H,4,13H2,1-2H3,(H2,25,26)/b6-3+/t22-/m1/s1 OWWGQYLPNDSCHO-XRRIUQSZSA-N 50329538 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-methoxybut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270629 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944532 123108653 CHEMBL1270629 ZINC35269351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168801 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC=C(F)F)c1 InChI=1S/C21H19F4N3O3/c1-28-18(29)21(27-20(28)26,13-7-9-15(10-8-13)31-19(24)25)14-4-2-5-16(12-14)30-11-3-6-17(22)23/h2,4-10,12,19H,3,11H2,1H3,(H2,26,27)/t21-/m1/s1 UHWBHOZJAQBPJW-OAQYLSRUSA-N 50329567 (R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270529 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949465 123108682 CHEMBL1270529 ZINC35261810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168802 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)(F)F)c1 InChI=1S/C20H18F5N3O3/c1-28-16(29)20(27-18(28)26,12-5-7-14(8-6-12)31-17(21)22)13-3-2-4-15(11-13)30-10-9-19(23,24)25/h2-8,11,17H,9-10H2,1H3,(H2,26,27)/t20-/m1/s1 QLEGEHLCGYEGPB-HXUWFJFHSA-N 50329560 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(3,3,3-trifluoropropoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270136 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942212 123108675 CHEMBL1270136 ZINC64512728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168803 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C\C1CC1 InChI=1S/C22H20F3N3O2/c1-28-19(29)22(27-21(28)26,15-7-9-17(10-8-15)30-20(24)25)16-4-2-3-14(12-16)18(23)11-13-5-6-13/h2-4,7-13,20H,5-6H2,1H3,(H2,26,27)/b18-11-/t22-/m1/s1 SQRMALBFLFFPQZ-IFNMQTAJSA-N 50329536 (R,Z)-2-amino-4-(3-(2-cyclopropyl-1-fluorovinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270528 Beta-secretase 1 Homo sapiens 5370 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945793 123108651 CHEMBL1270528 ZINC64528403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168804 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(OCC(F)F)c1 InChI=1S/C20H18F5N3O3/c1-10-7-11(4-6-14(10)31-18(24)25)20(17(29)28(2)19(26)27-20)12-3-5-13(21)15(8-12)30-9-16(22)23/h3-8,16,18H,9H2,1-2H3,(H2,26,27)/t20-/m1/s1 WADUKYMEQUUKLV-HXUWFJFHSA-N 50329572 (R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270530 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25069561 123108687 CHEMBL1270530 ZINC43204080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168805 CCCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C23H22F3N3O2/c1-4-5-6-7-15-13-17(8-10-18(15)24)23(20(30)29(3)22(27)28-23)16-9-11-19(14(2)12-16)31-21(25)26/h8-13,21H,4-5H2,1-3H3,(H2,27,28)/t23-/m1/s1 GASOVDDSXLJYME-HSZRJFAPSA-N 50329575 (R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(pent-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270834 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25073049 123108690 CHEMBL1270834 ZINC64513070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168806 CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1 RIIMHERUTFJZHJ-HXUWFJFHSA-N 50329543 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(prop-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270934 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942848 123108658 CHEMBL1270934 ZINC64512071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168807 CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H19F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3H2,1-2H3,(H2,24,25)/t21-/m1/s1 AIUNZLDXXBFOSW-OAQYLSRUSA-N 50329544 (R)-2-amino-4-(3-(but-1-ynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270935 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948146 123108659 CHEMBL1270935 ZINC64512187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168808 CC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C20H16F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h5-11,18H,1-2H3,(H2,24,25)/t20-/m1/s1 NDAQOTDOXUWRAJ-HXUWFJFHSA-N 50329577 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(prop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270936 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25127299 123108692 CHEMBL1270936 ZINC64512189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168809 CCC(C)Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H25F2N3O2/c1-4-14(2)12-15-6-5-7-17(13-15)22(19(28)27(3)21(25)26-22)16-8-10-18(11-9-16)29-20(23)24/h5-11,13-14,20H,4,12H2,1-3H3,(H2,25,26)/t14?,22-/m1/s1 QAQMQLZJRPSYPZ-PSRIUPCASA-N 50329527 (4R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(2-methylbutyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270133 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942210 123108642 CHEMBL1270133 ZINC35262408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168810 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCCF)c1 InChI=1S/C21H21F4N3O3/c1-28-18(29)21(27-20(28)26,13-4-7-15(8-5-13)31-19(24)25)14-6-9-16(23)17(12-14)30-11-3-2-10-22/h4-9,12,19H,2-3,10-11H2,1H3,(H2,26,27)/t21-/m1/s1 VRIMUGPJBNOXQZ-OAQYLSRUSA-N 50329559 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(4-fluorobutoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270135 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949543 123108674 CHEMBL1270135 ZINC35261806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168811 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C/C1CC1 InChI=1S/C22H20F3N3O2/c1-28-19(29)22(27-21(28)26,15-7-9-17(10-8-15)30-20(24)25)16-4-2-3-14(12-16)18(23)11-13-5-6-13/h2-4,7-13,20H,5-6H2,1H3,(H2,26,27)/b18-11+/t22-/m1/s1 SQRMALBFLFFPQZ-OJHVLRHSSA-N 50329535 (R,E)-2-amino-4-(3-(2-cyclopropyl-1-fluorovinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270527 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949464 123108650 CHEMBL1270527 ZINC59050911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168812 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC(F)(F)F)c1 InChI=1S/C21H20F5N3O2/c1-29-17(30)21(28-19(29)27,14-7-9-16(10-8-14)31-18(22)23)15-6-2-4-13(12-15)5-3-11-20(24,25)26/h2,4,6-10,12,18H,3,5,11H2,1H3,(H2,27,28)/t21-/m1/s1 YRLBQVQPCPSMRE-OAQYLSRUSA-N 50329528 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(4,4,4-trifluorobutyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270134 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942211 123108643 CHEMBL1270134 ZINC35262401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168813 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)(F)F)c1 InChI=1S/C20H18F5N3O3/c1-28-16(29)20(27-18(28)26,12-5-7-14(8-6-12)31-17(21)22)13-3-2-4-15(11-13)30-10-9-19(23,24)25/h2-8,11,17H,9-10H2,1H3,(H2,26,27)/t20-/m1/s1 QLEGEHLCGYEGPB-HXUWFJFHSA-N 50329560 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(3,3,3-trifluoropropoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270136 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942212 123108675 CHEMBL1270136 ZINC64512728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168814 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C\C1CC1 InChI=1S/C22H20F3N3O2/c1-28-19(29)22(27-21(28)26,15-7-9-17(10-8-15)30-20(24)25)16-4-2-3-14(12-16)18(23)11-13-5-6-13/h2-4,7-13,20H,5-6H2,1H3,(H2,26,27)/b18-11-/t22-/m1/s1 SQRMALBFLFFPQZ-IFNMQTAJSA-N 50329536 (R,Z)-2-amino-4-(3-(2-cyclopropyl-1-fluorovinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270528 Beta-secretase 1 Homo sapiens 540 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945793 123108651 CHEMBL1270528 ZINC64528403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168815 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC=C(F)F)c1 InChI=1S/C21H19F4N3O3/c1-28-18(29)21(27-20(28)26,13-7-9-15(10-8-13)31-19(24)25)14-4-2-5-16(12-14)30-11-3-6-17(22)23/h2,4-10,12,19H,3,11H2,1H3,(H2,26,27)/t21-/m1/s1 UHWBHOZJAQBPJW-OAQYLSRUSA-N 50329567 (R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270529 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949465 123108682 CHEMBL1270529 ZINC35261810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168816 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC(F)(F)F)c1 InChI=1S/C21H20F5N3O2/c1-29-17(30)21(28-19(29)27,14-7-9-16(10-8-14)31-18(22)23)15-6-2-4-13(12-15)5-3-11-20(24,25)26/h2,4,6-10,12,18H,3,5,11H2,1H3,(H2,27,28)/t21-/m1/s1 YRLBQVQPCPSMRE-OAQYLSRUSA-N 50329528 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(4,4,4-trifluorobutyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270134 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942211 123108643 CHEMBL1270134 ZINC35262401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168817 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCCF)c1 InChI=1S/C21H21F4N3O3/c1-28-18(29)21(27-20(28)26,13-4-7-15(8-5-13)31-19(24)25)14-6-9-16(23)17(12-14)30-11-3-2-10-22/h4-9,12,19H,2-3,10-11H2,1H3,(H2,26,27)/t21-/m1/s1 VRIMUGPJBNOXQZ-OAQYLSRUSA-N 50329559 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(4-fluorobutoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270135 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949543 123108674 CHEMBL1270135 ZINC35261806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168818 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C/C1CC1 InChI=1S/C22H20F3N3O2/c1-28-19(29)22(27-21(28)26,15-7-9-17(10-8-15)30-20(24)25)16-4-2-3-14(12-16)18(23)11-13-5-6-13/h2-4,7-13,20H,5-6H2,1H3,(H2,26,27)/b18-11+/t22-/m1/s1 SQRMALBFLFFPQZ-OJHVLRHSSA-N 50329535 (R,E)-2-amino-4-(3-(2-cyclopropyl-1-fluorovinyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270527 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949464 123108650 CHEMBL1270527 ZINC59050911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168819 CCC(C)Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H25F2N3O2/c1-4-14(2)12-15-6-5-7-17(13-15)22(19(28)27(3)21(25)26-22)16-8-10-18(11-9-16)29-20(23)24/h5-11,13-14,20H,4,12H2,1-3H3,(H2,25,26)/t14?,22-/m1/s1 QAQMQLZJRPSYPZ-PSRIUPCASA-N 50329527 (4R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(2-methylbutyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1270133 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942210 123108642 CHEMBL1270133 ZINC35262408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168820 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)/t21-/m1/s1 JFVCKHOQNLFVNL-OAQYLSRUSA-N 50329515 (R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271140 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946950 123108630 CHEMBL1271140 ZINC45246009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168821 CN1C(N)=N[C@](C1=O)(c1ccc(OCCF)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-29-21(30)23(28-22(29)26,16-7-9-18(10-8-16)31-13-11-24)17-5-2-4-15(14-17)19-6-3-12-27-20(19)25/h2-10,12,14H,11,13H2,1H3,(H2,26,28)/t23-/m1/s1 IWNLEEUFYZWVMW-HSZRJFAPSA-N 50329520 (R)-2-amino-4-(4-(2-fluoroethoxy)phenyl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271450 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946966 123108635 CHEMBL1271450 ZINC64514102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168822 COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H18F3N3O3/c1-27-18(28)21(26-20(27)25,14-5-8-16(9-6-14)30-19(23)24)15-7-10-17(22)13(12-15)4-3-11-29-2/h5-10,12,19H,11H2,1-2H3,(H2,25,26)/t21-/m1/s1 QUWFPNGUYZNWOB-OAQYLSRUSA-N 50329571 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270526 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940942 123108686 CHEMBL1270526 ZINC64511898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168823 COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H18F3N3O3/c1-27-18(28)21(26-20(27)25,14-5-8-16(9-6-14)30-19(23)24)15-7-10-17(22)13(12-15)4-3-11-29-2/h5-10,12,19H,11H2,1-2H3,(H2,25,26)/t21-/m1/s1 QUWFPNGUYZNWOB-OAQYLSRUSA-N 50329571 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270526 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940942 123108686 CHEMBL1270526 ZINC64511898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168824 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/t21-/m1/s1 KMESKSVXSOFRDY-OAQYLSRUSA-N 50329554 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271453 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943302 123108669 CHEMBL1271453 ZINC35262561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168825 COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1 TZGLGDNNNMVJMI-JOCHJYFZSA-N 50329553 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-methoxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271452 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948174 123108668 CHEMBL1271452 ZINC64514106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168826 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)(F)F)cc1 InChI=1S/C17H14F3N3O2/c1-23-14(24)16(22-15(23)21,11-5-3-2-4-6-11)12-7-9-13(10-8-12)25-17(18,19)20/h2-10H,1H3,(H2,21,22)/t16-/m0/s1 TVFYWSHHVQUWML-INIZCTEOSA-N 50329521 (S)-2-amino-1-methyl-4-phenyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271451 Beta-secretase 1 Homo sapiens 810 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940915 123108636 CHEMBL1271451 ZINC64514105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168827 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF InChI=1S/C21H18F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h4,6-11,13,19H,3,12H2,1H3,(H2,25,26)/t21-/m1/s1 ONIZYHRXWWCZPM-OAQYLSRUSA-N 50329547 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271141 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943292 123108662 CHEMBL1271141 ZINC64527852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168828 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC2CC2)c1 InChI=1S/C21H21F2N3O3/c1-26-18(27)21(25-20(26)24,14-7-9-16(10-8-14)29-19(22)23)15-3-2-4-17(11-15)28-12-13-5-6-13/h2-4,7-11,13,19H,5-6,12H2,1H3,(H2,24,25)/t21-/m1/s1 USFLEPKOIMSGCK-OAQYLSRUSA-N 50329561 (R)-2-amino-4-(3-(cyclopropylmethoxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270240 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941677 123108676 CHEMBL1270240 ZINC35261658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168829 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OC(F)F)c1 InChI=1S/C18H15F4N3O3/c1-25-14(26)18(24-17(25)23,10-5-7-12(8-6-10)27-15(19)20)11-3-2-4-13(9-11)28-16(21)22/h2-9,15-16H,1H3,(H2,23,24)/t18-/m1/s1 GUZQFYDEDMEBAJ-GOSISDBHSA-N 50329562 (R)-2-amino-4-(3-(difluoromethoxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270241 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25154200 123108677 CHEMBL1270241 ZINC64504108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168830 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H17F3N4O2/c1-29-19(30)22(28-21(29)26,14-7-9-16(10-8-14)31-20(24)25)15-5-2-4-13(12-15)17-6-3-11-27-18(17)23/h2-12,20H,1H3,(H2,26,28)/t22-/m1/s1 OMAQNCHXLTWMDV-JOCHJYFZSA-N 50329517 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271244 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942108 123108632 CHEMBL1271244 ZINC64503977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168831 CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1 UPNDWOIUFRVACM-JOCHJYFZSA-N 50329549 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(3-methylbut-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271245 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52950127 123108664 CHEMBL1271245 ZINC64503979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168832 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/m1/s1 GABMJOBOOPAAAJ-HSZRJFAPSA-N 50329548 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-fluorohex-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271142 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948154 123108663 CHEMBL1271142 ZINC64527853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168833 CCCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H25F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-5,7H2,1-2H3,(H2,25,26)/t22-/m1/s1 GPIGHALYCORADP-JOCHJYFZSA-N 50329526 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-pentylphenyl)-1H-imidazol-5(4H)-one::CHEMBL1270027 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941021 123108641 CHEMBL1270027 ZINC35262405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168834 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1 WQGSTVFPWRFZTI-JOCHJYFZSA-N 50329550 (R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271246 Beta-secretase 1 Homo sapiens 20.0 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25127621 123108665 CHEMBL1271246 ZINC64503982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168835 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCF)c1 InChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-2-5-13(6-3-11)29-17(22)23)12-4-7-14(21)15(10-12)28-9-8-20/h2-7,10,17H,8-9H2,1H3,(H2,24,25)/t19-/m1/s1 GAFZVIRMFXBSMI-LJQANCHMSA-N 50329557 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(2-fluoroethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270028 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947103 123108672 CHEMBL1270028 ZINC64513045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168836 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 RNJTYVPMRSKRKE-HXUWFJFHSA-N 50303731 (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one::(R)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL568115 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 569 3INH 11539562 104158092 CHEMBL568115 ZINC34631070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168837 CCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C20H21F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,3,5H2,1-2H3,(H2,23,24)/t20-/m1/s1 VMBIBWHPLPIGJF-HXUWFJFHSA-N 50329524 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one::CHEMBL1270026 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16038399 123108639 CHEMBL1270026 ZINC34875817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168838 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(OCC(F)F)c1 InChI=1S/C20H18F5N3O3/c1-10-7-11(4-6-14(10)31-18(24)25)20(17(29)28(2)19(26)27-20)12-3-5-13(21)15(8-12)30-9-16(22)23/h3-8,16,18H,9H2,1-2H3,(H2,26,27)/t20-/m1/s1 WADUKYMEQUUKLV-HXUWFJFHSA-N 50329572 (R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270530 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25069561 123108687 CHEMBL1270530 ZINC43204080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168839 COCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H23F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h3,5-12,14,20H,4,13H2,1-2H3,(H2,25,26)/b6-3+/t22-/m1/s1 OWWGQYLPNDSCHO-XRRIUQSZSA-N 50329538 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-methoxybut-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270629 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944532 123108653 CHEMBL1270629 ZINC35269351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168840 COC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C21H21F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3-11,13,19H,12H2,1-2H3,(H2,24,25)/b6-4+/t21-/m1/s1 MXYBHZMUJGWLNJ-KOXUSJRISA-N 50329537 (R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-methoxyprop-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270628 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52950209 123108652 CHEMBL1270628 ZINC35269347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168841 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(=O)CCCF InChI=1S/C21H20F3N3O3/c1-27-18(29)21(26-20(27)25,14-7-9-16(10-8-14)30-19(23)24)15-5-2-4-13(12-15)17(28)6-3-11-22/h2,4-5,7-10,12,19H,3,6,11H2,1H3,(H2,25,26)/t21-/m1/s1 PRNMLFQWYSZETJ-OAQYLSRUSA-N 50329530 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-fluorobutanoyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270239 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947109 123108645 CHEMBL1270239 ZINC35261905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168842 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC#N)c1 InChI=1S/C21H20F2N4O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-24/h4,6-11,13,19H,2-3,5H2,1H3,(H2,25,26)/t21-/m1/s1 ULZNRCLZOZGAEO-OAQYLSRUSA-N 50329529 (R)-4-(3-(2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)butanenitrile::CHEMBL1270238 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941030 123108644 CHEMBL1270238 ZINC35269180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168843 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CCCCF InChI=1S/C22H19F4N3O2/c1-29-19(30)22(28-21(29)27,15-6-9-17(10-7-15)31-20(25)26)16-8-11-18(24)14(13-16)5-3-2-4-12-23/h6-11,13,20H,2,4,12H2,1H3,(H2,27,28)/t22-/m1/s1 ZSIZOKHLIKKQIV-JOCHJYFZSA-N 50329576 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(5-fluoropent-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270835 Beta-secretase 1 Homo sapiens 14.0 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZOO 3OOZ 52948140 123108691 CHEMBL1270835 ZINC64512404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168844 CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1 GRSRJXGZMHCKBH-JOCHJYFZSA-N 50329545 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(pent-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271036 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52940810 123108660 CHEMBL1271036 ZINC64528067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168845 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OCCF)cc1 InChI=1S/C18H18FN3O2/c1-22-16(23)18(21-17(22)20,13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-12-11-19/h2-10H,11-12H2,1H3,(H2,20,21)/t18-/m0/s1 WKKSAUFKGYEBTL-SFHVURJKSA-N 50329522 (S)-2-amino-4-(4-(2-fluoroethoxy)phenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL1269918 Beta-secretase 1 Homo sapiens 1240 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942291 123108637 CHEMBL1269918 ZINC64527824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158039 NC1=NC(C2CCCCC2)(C(=O)N1CC1CCCO1)c1ccccc1 InChI=1S/C20H27N3O2/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H2,21,22) DWDSPZQJZVOFAW-UHFFFAOYSA-N 50305481 2-amino-4-cyclohexyl-4-phenyl-1-((tetrahydrofuran-2-yl)methyl)-1H-imidazol-5(4H)-one::CHEMBL592534 Beta-secretase 1 Homo sapiens 1040 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050932 104159842 CHEMBL592534 ZINC34948795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158040 CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 InChI=1S/C16H21N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H2,17,18) FEZQZQTWDYTJPE-UHFFFAOYSA-N 50305467 2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL599965 Beta-secretase 1 Homo sapiens 990 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050931 104159828 CHEMBL599965 ZINC34948788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158041 CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O InChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18) IAMIFCZOYVOTFD-UHFFFAOYSA-N 50305483 2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H)-one::CHEMBL589163 Beta-secretase 1 Homo sapiens 1080 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225190 104159844 CHEMBL589163 ZINC45337578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158042 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158043 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1 InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24) WVLDNAVUCUAGDP-UHFFFAOYSA-N 16751 (N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide)::Acylguanidine, 7a::CHEMBL217068::N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 251 2QU2 11290116 46516971 CHEMBL217068 DB06930 ZINC14962105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158044 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158045 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1)-c1ccccc1 InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33) XWWAMKGNSKOVNS-UHFFFAOYSA-N 50231481 3-bromo-N-(4-(1-(2-guanidino-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl)phenyl)benzamide::3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide::3-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide::CHEMBL252189 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 411 2ZE1 11606008 104055180 CHEMBL252189 ZINC29040179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158046 CCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 InChI=1S/C20H28N4O2/c1-3-8-17(25)22-16-12-7-11-15(13-16)20(14-9-5-4-6-10-14)18(26)24(2)19(21)23-20/h7,11-14H,3-6,8-10H2,1-2H3,(H2,21,23)(H,22,25) AQMDTMDYMXRAFN-UHFFFAOYSA-N 50305471 CHEMBL595302::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)butyramide Beta-secretase 1 Homo sapiens 2850 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225238 104159832 CHEMBL595302 ZINC45349089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158047 COCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 InChI=1S/C19H26N4O3/c1-23-17(25)19(22-18(23)20,13-7-4-3-5-8-13)14-9-6-10-15(11-14)21-16(24)12-26-2/h6,9-11,13H,3-5,7-8,12H2,1-2H3,(H2,20,22)(H,21,24) VAZKQVYVSGKYLY-UHFFFAOYSA-N 50305472 CHEMBL589614::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-2-methoxyacetamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051697 104159833 CHEMBL589614 ZINC34950037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158048 COCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 InChI=1S/C20H28N4O3/c1-24-18(26)20(23-19(24)21,14-7-4-3-5-8-14)15-9-6-10-16(13-15)22-17(25)11-12-27-2/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H2,21,23)(H,22,25) JKKLMAOQHPBFAO-UHFFFAOYSA-N 50305473 CHEMBL594656::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-3-methoxypropanamide Beta-secretase 1 Homo sapiens 7860 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051584 104159834 CHEMBL594656 ZINC34949851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158049 COc1cccc(c1)C(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 InChI=1S/C24H28N4O3/c1-28-22(30)24(27-23(28)25,17-9-4-3-5-10-17)18-11-7-12-19(15-18)26-21(29)16-8-6-13-20(14-16)31-2/h6-8,11-15,17H,3-5,9-10H2,1-2H3,(H2,25,27)(H,26,29) DMXXMELVGMWDME-UHFFFAOYSA-N 50305474 CHEMBL594896::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-3-methoxybenzamide Beta-secretase 1 Homo sapiens 1360 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051495 104159835 CHEMBL594896 ZINC34949743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158050 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1 InChI=1S/C24H26N4O4/c1-28-22(30)24(27-23(28)25,16-6-3-2-4-7-16)17-8-5-9-18(13-17)26-21(29)15-10-11-19-20(12-15)32-14-31-19/h5,8-13,16H,2-4,6-7,14H2,1H3,(H2,25,27)(H,26,29) SNQQSEHSNGCNKM-UHFFFAOYSA-N 50305475 CHEMBL605518::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)benzo[d][1,3]dioxole-5-carboxamide Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225290 104159836 CHEMBL605518 ZINC45384195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158051 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccco2)c1 InChI=1S/C21H24N4O3/c1-25-19(27)21(24-20(25)22,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-18(26)17-11-6-12-28-17/h5-6,9-14H,2-4,7-8H2,1H3,(H2,22,24)(H,23,26) JSEJOHYXWOWWPR-UHFFFAOYSA-N 50305468 CHEMBL590829::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)furan-2-carboxamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051698 104159829 CHEMBL590829 ZINC34950041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158052 CCCCCCN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 InChI=1S/C21H31N3O/c1-2-3-4-11-16-24-19(25)21(23-20(24)22,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5,7-8,12-13,18H,2-4,6,9-11,14-16H2,1H3,(H2,22,23) ASRKRRQDKDMWOY-UHFFFAOYSA-N 50305476 2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL593979 Beta-secretase 1 Homo sapiens 1390 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051040 104159837 CHEMBL593979 ZINC34948999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158053 NC1=NC(C2CCCCC2)(C(=O)N1C[C@H]1CC[C@@H](CC1)C(O)=O)c1ccccc1 InChI=1S/C23H31N3O3/c24-22-25-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(29)26(22)15-16-11-13-17(14-12-16)20(27)28/h1,3-4,7-8,16-17,19H,2,5-6,9-15H2,(H2,24,25)(H,27,28)/t16-,17-,23? VENODDRXHDEEEG-XEDXNJDHSA-N 50305478 4-((2-amino-4-cyclohexyl-5-oxo-4-phenyl-4,5-dihydro-1H-imidazol-1-yl)methyl)cyclohexanecarboxylic acid::CHEMBL589891 Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050937 104159839 CHEMBL589891 ZINC34948814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158054 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27) CZSNUKITORTJBZ-UHFFFAOYSA-N 50305469 CHEMBL590830::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-3-methylfuran-2-carboxamide Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051586 104159830 CHEMBL590830 ZINC34949859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158055 NC1=NC(C2CCCCC2)(C(=O)N1CCCCCC(O)=O)c1ccccc1 InChI=1S/C21H29N3O3/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(27)24(20)15-9-3-8-14-18(25)26/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H2,22,23)(H,25,26) RRIUOHGQLUNAMR-UHFFFAOYSA-N 50305477 6-(2-amino-4-cyclohexyl-5-oxo-4-phenyl-4,5-dihydro-1H-imidazol-1-yl)hexanoic acid::CHEMBL607527 Beta-secretase 1 Homo sapiens 950 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050938 104159838 CHEMBL607527 ZINC34948818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158056 NC1=NC(C2CCCCC2)(C(=O)N1Cc1ccccc1)c1ccccc1 InChI=1S/C22H25N3O/c23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,23,24) AZYGPVIFZHZTAH-UHFFFAOYSA-N 50305479 2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL585215 Beta-secretase 1 Homo sapiens 1240 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051038 104159840 CHEMBL585215 ZINC34948992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158057 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2cccn2C)c1 InChI=1S/C22H27N5O2/c1-26-13-7-12-18(26)19(28)24-17-11-6-10-16(14-17)22(15-8-4-3-5-9-15)20(29)27(2)21(23)25-22/h6-7,10-15H,3-5,8-9H2,1-2H3,(H2,23,25)(H,24,28) BLPHJRSVVFXPQF-UHFFFAOYSA-N 50305470 CHEMBL591070::N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-1-methyl-1H-pyrrole-2-carboxamide Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051696 104159831 CHEMBL591070 ZINC34950033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158059 NC1=NC(C2CCCCC2)(C(=O)N1Cc1cc(F)cc(F)c1)c1ccccc1 InChI=1S/C22H23F2N3O/c23-18-11-15(12-19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H2,25,26) QUKQOEWZOAXBOR-UHFFFAOYSA-N 50305480 2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL592533 Beta-secretase 1 Homo sapiens 1080 ChEMBL 10.1016/j.bmcl.2009.11.052 10.7270/Q20Z73BN 19959359 Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050834 104159841 CHEMBL592533 ZINC34948616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162419 NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H44N4O2/c34-33-35-30-17-16-29-22-26(30)23-37(33)31(25-11-3-1-4-12-25)18-19-32(38)36(27-13-5-2-6-14-27)20-8-10-24-9-7-15-28(21-24)39-29/h7,9,15-17,21-22,25,27,31H,1-6,8,10-14,18-20,23H2,(H2,34,35)/t31-/m0/s1 YRZGWNOJFXJXID-HKBQPEDESA-N 50318127 (15S)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1^{3,7}.0^{19,23}]pentacosa-1(22),3(25),4,6,17,19(23),20-heptaen-12-one::CHEMBL1098734 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887296 104152488 CHEMBL1098734 ZINC49802298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162420 NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H42N4O4/c34-33-35-29-14-13-28-20-25(29)21-37(33)30(23-6-2-1-3-7-23)15-16-31(38)36(26-11-9-24(10-12-26)32(39)40)18-17-22-5-4-8-27(19-22)41-28/h4-5,8,13-14,19-20,23-24,26,30H,1-3,6-7,9-12,15-18,21H2,(H2,34,35)(H,39,40)/t24-,26-,30-/m0/s1 ZNEWKHBAQIYKKP-QECWJDIYSA-N 50318130 4-[(14S)-16-amino-14-cyclohexyl-11-oxo-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-10-yl]cyclohexane-1-carboxylic acid::CHEMBL1097282 Beta-secretase 1 Homo sapiens >1000 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887347 104152491 CHEMBL1097282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162421 NC1=Nc2cc(F)c3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C32H41FN4O2/c33-27-20-28-24-19-30(27)39-26-13-7-8-22(18-26)16-17-36(25-11-5-2-6-12-25)31(38)15-14-29(23-9-3-1-4-10-23)37(21-24)32(34)35-28/h7-8,13,18-20,23,25,29H,1-6,9-12,14-17,21H2,(H2,34,35)/t29-/m0/s1 MEJGMIGRSQIMGB-LJAQVGFWSA-N 50318131 (14S)-16-amino-10,14-dicyclohexyl-20-fluoro-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095429 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887394 104152492 CHEMBL1095429 ZINC49783921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162422 NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C31H41N5O2/c32-31-34-27-20-33-29-19-24(27)21-36(31)28(23-9-3-1-4-10-23)14-15-30(37)35(25-11-5-2-6-12-25)17-16-22-8-7-13-26(18-22)38-29/h7-8,13,18-20,23,25,28H,1-6,9-12,14-17,21H2,(H2,32,34)/t28-/m0/s1 YEMBMUVUIMRSES-NDEPHWFRSA-N 50318133 (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17,20-tetraazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095431 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24745771 104152494 CHEMBL1095431 ZINC43171637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162423 NC1=Nc2ccc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C32H42N4O2/c33-32-34-29-15-14-28-21-25(29)22-36(32)30(24-9-3-1-4-10-24)16-17-31(37)35(26-11-5-2-6-12-26)19-18-23-8-7-13-27(20-23)38-28/h7-8,13-15,20-21,24,26,30H,1-6,9-12,16-19,22H2,(H2,33,34)/t30-/m0/s1 HNSGYYUNOLLOAJ-PMERELPUSA-N 50318123 (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1098733 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24745770 104152484 CHEMBL1098733 ZINC49088915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162424 NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H42N4O4/c34-33-35-29-14-13-28-20-25(29)21-37(33)30(23-6-2-1-3-7-23)15-16-31(38)36(26-11-9-24(10-12-26)32(39)40)18-17-22-5-4-8-27(19-22)41-28/h4-5,8,13-14,19-20,23-24,26,30H,1-3,6-7,9-12,15-18,21H2,(H2,34,35)(H,39,40)/t24-,26+,30-/m0/s1 ZNEWKHBAQIYKKP-KIBIPHAFSA-N 50318129 4-[(14S)-16-amino-14-cyclohexyl-11-oxo-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-10-yl]cyclohexane-1-carboxylic acid::CHEMBL1097281 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887347 104152490 CHEMBL1097281 ZINC49783621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162425 NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H44N4O2/c34-33-35-30-17-16-29-22-26(30)23-37(33)31(25-11-3-1-4-12-25)18-19-32(38)36(27-13-5-2-6-14-27)20-8-10-24-9-7-15-28(21-24)39-29/h7,9,15-17,21-22,25,27,31H,1-6,8,10-14,18-20,23H2,(H2,34,35)/t31-/m0/s1 YRZGWNOJFXJXID-HKBQPEDESA-N 50318127 (15S)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1^{3,7}.0^{19,23}]pentacosa-1(22),3(25),4,6,17,19(23),20-heptaen-12-one::CHEMBL1098734 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887296 104152488 CHEMBL1098734 ZINC49802298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162426 NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H42N4O4/c34-33-35-29-14-13-28-20-25(29)21-37(33)30(23-6-2-1-3-7-23)15-16-31(38)36(26-11-9-24(10-12-26)32(39)40)18-17-22-5-4-8-27(19-22)41-28/h4-5,8,13-14,19-20,23-24,26,30H,1-3,6-7,9-12,15-18,21H2,(H2,34,35)(H,39,40)/t24-,26-,30-/m0/s1 ZNEWKHBAQIYKKP-QECWJDIYSA-N 50318130 4-[(14S)-16-amino-14-cyclohexyl-11-oxo-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-10-yl]cyclohexane-1-carboxylic acid::CHEMBL1097282 Beta-secretase 1 Homo sapiens >1000 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887347 104152491 CHEMBL1097282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162427 NC1=Nc2cc(F)c3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C32H41FN4O2/c33-27-20-28-24-19-30(27)39-26-13-7-8-22(18-26)16-17-36(25-11-5-2-6-12-25)31(38)15-14-29(23-9-3-1-4-10-23)37(21-24)32(34)35-28/h7-8,13,18-20,23,25,29H,1-6,9-12,14-17,21H2,(H2,34,35)/t29-/m0/s1 MEJGMIGRSQIMGB-LJAQVGFWSA-N 50318131 (14S)-16-amino-10,14-dicyclohexyl-20-fluoro-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095429 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887394 104152492 CHEMBL1095429 ZINC49783921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162428 NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C31H41N5O2/c32-31-34-27-20-33-29-19-24(27)21-36(31)28(23-9-3-1-4-10-23)14-15-30(37)35(25-11-5-2-6-12-25)17-16-22-8-7-13-26(18-22)38-29/h7-8,13,18-20,23,25,28H,1-6,9-12,14-17,21H2,(H2,32,34)/t28-/m0/s1 YEMBMUVUIMRSES-NDEPHWFRSA-N 50318133 (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17,20-tetraazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095431 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24745771 104152494 CHEMBL1095431 ZINC43171637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162429 NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H44N4O2/c34-33-35-30-17-16-29-22-26(30)23-37(33)31(25-11-3-1-4-12-25)18-19-32(38)36(27-13-5-2-6-14-27)20-8-10-24-9-7-15-28(21-24)39-29/h7,9,15-17,21-22,25,27,31H,1-6,8,10-14,18-20,23H2,(H2,34,35)/t31-/m1/s1 YRZGWNOJFXJXID-WJOKGBTCSA-N 50318126 (15R)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1^{3,7}.0^{19,23}]pentacosa-1(22),3(25),4,6,17,19(23),20-heptaen-12-one::CHEMBL1098735 Beta-secretase 1 Homo sapiens 660 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887297 104152487 CHEMBL1098735 ZINC49088916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162430 NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H44N4O2/c34-33-35-30-17-16-29-22-26(30)23-37(33)31(25-11-3-1-4-12-25)18-19-32(38)36(27-13-5-2-6-14-27)20-8-10-24-9-7-15-28(21-24)39-29/h7,9,15-17,21-22,25,27,31H,1-6,8,10-14,18-20,23H2,(H2,34,35)/t31-/m1/s1 YRZGWNOJFXJXID-WJOKGBTCSA-N 50318126 (15R)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1^{3,7}.0^{19,23}]pentacosa-1(22),3(25),4,6,17,19(23),20-heptaen-12-one::CHEMBL1098735 Beta-secretase 1 Homo sapiens 186 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887297 104152487 CHEMBL1098735 ZINC49088916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162431 COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1 InChI=1S/C33H44N4O3/c1-39-30-21-28-25-20-31(30)40-27-14-8-9-23(19-27)17-18-36(26-12-6-3-7-13-26)32(38)16-15-29(24-10-4-2-5-11-24)37(22-25)33(34)35-28/h8-9,14,19-21,24,26,29H,2-7,10-13,15-18,22H2,1H3,(H2,34,35)/t29-/m0/s1 XGXJBGSGDARAGO-LJAQVGFWSA-N 50318132 (14S)-16-amino-10,14-dicyclohexyl-20-methoxy-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095430 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887395 104152493 CHEMBL1095430 ZINC53271511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162432 COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1 InChI=1S/C33H44N4O3/c1-39-30-21-28-25-20-31(30)40-27-14-8-9-23(19-27)17-18-36(26-12-6-3-7-13-26)32(38)16-15-29(24-10-4-2-5-11-24)37(22-25)33(34)35-28/h8-9,14,19-21,24,26,29H,2-7,10-13,15-18,22H2,1H3,(H2,34,35)/t29-/m0/s1 XGXJBGSGDARAGO-LJAQVGFWSA-N 50318132 (14S)-16-amino-10,14-dicyclohexyl-20-methoxy-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095430 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887395 104152493 CHEMBL1095430 ZINC53271511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162433 CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCCCC1 InChI=1S/C29H38N4O2/c1-20(2)27-13-14-28(34)32(23-8-4-3-5-9-23)16-15-21-7-6-10-24(17-21)35-25-11-12-26-22(18-25)19-33(27)29(30)31-26/h6-7,10-12,17-18,20,23,27H,3-5,8-9,13-16,19H2,1-2H3,(H2,30,31)/t27-/m0/s1 SQPMZLUNHQTZMU-MHZLTWQESA-N 50318125 (14S)-16-amino-10-cyclohexyl-14-(propan-2-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1098082 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887344 104152486 CHEMBL1098082 ZINC49783983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162434 CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCOCC1 InChI=1S/C28H36N4O3/c1-19(2)26-8-9-27(33)31(22-11-14-34-15-12-22)13-10-20-4-3-5-23(16-20)35-24-6-7-25-21(17-24)18-32(26)28(29)30-25/h3-7,16-17,19,22,26H,8-15,18H2,1-2H3,(H2,29,30)/t26-/m0/s1 CZQZNFXHNVMBQY-SANMLTNESA-N 50318128 (14S)-16-amino-10-(oxan-4-yl)-14-(propan-2-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1097058 Beta-secretase 1 Homo sapiens 685 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887346 104152489 CHEMBL1097058 ZINC49784243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162435 NC1=Nc2ccc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C32H42N4O2/c33-32-34-29-15-14-28-21-25(29)22-36(32)30(24-9-3-1-4-10-24)16-17-31(37)35(26-11-5-2-6-12-26)19-18-23-8-7-13-27(20-23)38-28/h7-8,13-15,20-21,24,26,30H,1-6,9-12,16-19,22H2,(H2,33,34)/t30-/m0/s1 HNSGYYUNOLLOAJ-PMERELPUSA-N 50318123 (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1098733 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24745770 104152484 CHEMBL1098733 ZINC49088915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162436 NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C33H42N4O4/c34-33-35-29-14-13-28-20-25(29)21-37(33)30(23-6-2-1-3-7-23)15-16-31(38)36(26-11-9-24(10-12-26)32(39)40)18-17-22-5-4-8-27(19-22)41-28/h4-5,8,13-14,19-20,23-24,26,30H,1-3,6-7,9-12,15-18,21H2,(H2,34,35)(H,39,40)/t24-,26+,30-/m0/s1 ZNEWKHBAQIYKKP-KIBIPHAFSA-N 50318129 4-[(14S)-16-amino-14-cyclohexyl-11-oxo-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-10-yl]cyclohexane-1-carboxylic acid::CHEMBL1097281 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887347 104152490 CHEMBL1097281 ZINC49783621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162437 CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCCCC1 InChI=1S/C29H38N4O2/c1-20(2)27-13-14-28(34)32(23-8-4-3-5-9-23)16-15-21-7-6-10-24(17-21)35-25-11-12-26-22(18-25)19-33(27)29(30)31-26/h6-7,10-12,17-18,20,23,27H,3-5,8-9,13-16,19H2,1-2H3,(H2,30,31)/t27-/m0/s1 SQPMZLUNHQTZMU-MHZLTWQESA-N 50318125 (14S)-16-amino-10-cyclohexyl-14-(propan-2-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1098082 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887344 104152486 CHEMBL1098082 ZINC49783983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162438 CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCOCC1 InChI=1S/C28H36N4O3/c1-19(2)26-8-9-27(33)31(22-11-14-34-15-12-22)13-10-20-4-3-5-23(16-20)35-24-6-7-25-21(17-24)18-32(26)28(29)30-25/h3-7,16-17,19,22,26H,8-15,18H2,1-2H3,(H2,29,30)/t26-/m0/s1 CZQZNFXHNVMBQY-SANMLTNESA-N 50318128 (14S)-16-amino-10-(oxan-4-yl)-14-(propan-2-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1097058 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887346 104152489 CHEMBL1097058 ZINC49784243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162439 NC1=Nc2ccc3Oc4cccc(CCN(C5CCOCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C31H40N4O3/c32-31-33-28-10-9-27-20-24(28)21-35(31)29(23-6-2-1-3-7-23)11-12-30(36)34(25-14-17-37-18-15-25)16-13-22-5-4-8-26(19-22)38-27/h4-5,8-10,19-20,23,25,29H,1-3,6-7,11-18,21H2,(H2,32,33)/t29-/m0/s1 PROUJCWGYDRETF-LJAQVGFWSA-N 50318124 (14S)-16-amino-14-cyclohexyl-10-(oxan-4-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1097057 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887345 104152485 CHEMBL1097057 ZINC49803148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162440 NC1=Nc2ccc3Oc4cccc(CCN(C5CCOCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 InChI=1S/C31H40N4O3/c32-31-33-28-10-9-27-20-24(28)21-35(31)29(23-6-2-1-3-7-23)11-12-30(36)34(25-14-17-37-18-15-25)16-13-22-5-4-8-26(19-22)38-27/h4-5,8-10,19-20,23,25,29H,1-3,6-7,11-18,21H2,(H2,32,33)/t29-/m0/s1 PROUJCWGYDRETF-LJAQVGFWSA-N 50318124 (14S)-16-amino-14-cyclohexyl-10-(oxan-4-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1097057 Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2010.03.097 10.7270/Q2C53M1S 20399652 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46887345 104152485 CHEMBL1097057 ZINC49803148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168846 CCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 InChI=1S/C19H19F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h4-11,17H,3H2,1-2H3,(H2,22,23)/t19-/m1/s1 NZFUCYDGINQVLA-LJQANCHMSA-N 50329523 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-ethylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1269919 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947147 123108638 CHEMBL1269919 ZINC64527660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168847 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H17F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h3-10,16H,1-2H3,(H2,21,22)/t18-/m0/s1 DIBLNVRMNVPDAB-SFHVURJKSA-N 50329516 (S)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL1270431 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25070195 123108631 CHEMBL1270431 ZINC64528013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168848 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF InChI=1S/C20H16F3N3O2/c1-26-17(27)20(25-19(26)24,14-7-9-16(10-8-14)28-18(22)23)15-6-2-4-13(12-15)5-3-11-21/h2,4,6-10,12,18H,11H2,1H3,(H2,24,25)/t20-/m1/s1 ISEUMJDSFGLAOC-HXUWFJFHSA-N 50329546 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-fluoroprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271037 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944411 123108661 CHEMBL1271037 ZINC35261535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168849 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCF)c1 InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-3-6-14(7-4-12)30-18(23)24)13-5-8-15(22)16(11-13)29-10-2-9-21/h3-8,11,18H,2,9-10H2,1H3,(H2,25,26)/t20-/m1/s1 ZPKMNSUSQSIWHS-HXUWFJFHSA-N 50329558 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(3-fluoropropoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1270029 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.09.029 10.7270/Q2C829JF 20880704 Malamas, MS; Robichaud, A; Erdei, J; Quagliato, D; Solvibile, W; Zhou, P; Morris, K; Turner, J; Wagner, E; Fan, K; Olland, A; Jacobsen, S; Reinhart, P; Riddell, D; Pangalos, M Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16113206 123108673 CHEMBL1270029 ZINC35261802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168885 COc1ccc2cc(ccc2c1)-c1cn(C[C@@H]2Cc3c(CN2)[nH]c2ccccc32)nn1 InChI=1S/C25H23N5O/c1-31-20-9-8-16-10-18(7-6-17(16)11-20)25-15-30(29-28-25)14-19-12-22-21-4-2-3-5-23(21)27-24(22)13-26-19/h2-11,15,19,26-27H,12-14H2,1H3/t19-/m0/s1 KMYVRIXJVGPBJQ-IBGZPJMESA-N 50330180 (S)-3-((4-(6-methoxynaphthalen-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole::CHEMBL1272322 Beta-secretase 1 Homo sapiens 1490 ChEMBL 10.1016/j.bmcl.2010.09.043 10.7270/Q2FX79P9 20943389 Jiaranaikulwanitch, J; Boonyarat, C; Fokin, VV; Vajragupta, O Mahidol University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50898620 123109295 CHEMBL1272322 ZINC64539043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168890 O[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/m1/s1 FQUWLGICPYBBAF-AREMUKBSSA-N 50330572 CHEMBL1276846::N-[(R)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxypropyl]-3,4-dichloro-N-cyclopropylmethylbenzenesulfonamide Beta-secretase 1 Homo sapiens 5400 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942269 123109687 CHEMBL1276846 ZINC64447617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168891 O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/m0/s1 AUSSSTYOCBNQQJ-YTTGMZPUSA-N 50330571 CHEMBL1278188::N-[(S)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-N-phenethyl-benzenesulfonamide Beta-secretase 1 Homo sapiens 6900 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941133 123109686 CHEMBL1278188 ZINC64436819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168892 O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/m0/s1 AVPLNVLKHWYKNZ-YTTGMZPUSA-N 50330567 CHEMBL1275915::N-[(S)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-4-chloro-N-phenethyl benzenesulfonamide Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49870865 123109682 CHEMBL1275915 ZINC64448543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168893 O[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/m1/s1 VNUQQIBXPYYBII-WJOKGBTCSA-N 50330568 CHEMBL1277921::N-[(R)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-N-benzyl-4-chloro-benzenesulfonamide Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948410 123109683 CHEMBL1277921 ZINC64448887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168894 O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/m1/s1 AVPLNVLKHWYKNZ-JGCGQSQUSA-N 50330566 CHEMBL1275914::N-[(R)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-4-chloro-N-phenethyl-benzenesulfonamide Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49870864 123109681 CHEMBL1275914 ZINC64448540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168895 O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/m1/s1 AUSSSTYOCBNQQJ-JGCGQSQUSA-N 50330570 CHEMBL1278097::N-[(R)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-N-phenethyl-benzenesulfonamide Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942331 123109685 CHEMBL1278097 ZINC64448115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168896 O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/m0/s1 FQUWLGICPYBBAF-SANMLTNESA-N 50330573 CHEMBL1276932::N-[(S)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-3,4-dichloro-N-cyclopropylmethyl-benzenesulfonamide Beta-secretase 1 Homo sapiens 4700 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944662 123109688 CHEMBL1276932 ZINC64447625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168897 O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/m0/s1 VNUQQIBXPYYBII-HKBQPEDESA-N 50330569 CHEMBL1278005::N-[(S)-3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propyl]-N-benzyl-4-chloro-benzenesulfonamide Beta-secretase 1 Homo sapiens 5400 ChEMBL 10.1016/j.bmc.2010.09.032 10.7270/Q27944X5 20934348 Bertini, S; Ghilardi, E; Asso, V; Granchi, C; Minutolo, F; Pineschi, M; Di Bussolo, V; Bortolato, A; Moro, S; Saba, A; Macchia, M University of Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948413 123109684 CHEMBL1278005 ZINC64447919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172150 COc1ccc(cc1)-c1cc(OC(C)=O)c(cc1OC(C)=O)-c1ccc(OC)cc1 InChI=1S/C24H22O6/c1-15(25)29-23-13-22(18-7-11-20(28-4)12-8-18)24(30-16(2)26)14-21(23)17-5-9-19(27-3)10-6-17/h5-14H,1-4H3 CRAIUGBIQKVOPY-UHFFFAOYSA-N 50340598 Acetic acid 5'-acetoxy-4,4'-dimethoxy-[1,1';4',1'']terphenyl-2'-yl ester::CHEMBL1762685 Beta-secretase 1 Homo sapiens 23920 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54583000 131343534 CHEMBL1762685 ZINC71318120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172151 CC(=O)Oc1cc(c(OC(C)=O)cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F InChI=1S/C23H17F3O4/c1-14(27)29-21-13-20(17-8-10-18(11-9-17)23(24,25)26)22(30-15(2)28)12-19(21)16-6-4-3-5-7-16/h3-13H,1-2H3 OOIJDWCZNLQEOD-UHFFFAOYSA-N 50340591 Acetic acid 5'-acetoxy-4-trifluoromethyl-[1,1';4',1'']terphenyl-2'-yl ester::CHEMBL1762686 Beta-secretase 1 Homo sapiens 12120 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54582052 131343527 CHEMBL1762686 ZINC71329937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172152 CC(=O)Oc1cc(c(OC(C)=O)c(c1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H18O4/c1-15(23)25-19-13-20(17-9-5-3-6-10-17)22(26-16(2)24)21(14-19)18-11-7-4-8-12-18/h3-14H,1-2H3 CRDNNJLHCXVFKI-UHFFFAOYSA-N 50340596 Acetic acid 5'-acetoxy-4,4'-[1,1';3',1'']terphenyl-2'-yl ester::CHEMBL1762687 Beta-secretase 1 Homo sapiens 20010 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 12507854 131343532 CHEMBL1762687 ZINC71317089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172153 COc1ccc(cc1)C1=CC(=O)c2c(OC)cccc2C1=O InChI=1S/C18H14O4/c1-21-12-8-6-11(7-9-12)14-10-15(19)17-13(18(14)20)4-3-5-16(17)22-2/h3-10H,1-2H3 QVAAUHZTXRUXBF-UHFFFAOYSA-N 50340588 5-methoxy-2-(4-methoxyphenyl)naphthalene-1,4-dione::CHEMBL1762556 Beta-secretase 1 Homo sapiens 11210 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52918160 131343524 CHEMBL1762556 ZINC71329684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172154 COc1ccc(cc1)-c1cc(OC(C)=O)cc(c1OC(C)=O)-c1ccccc1 InChI=1S/C23H20O5/c1-15(24)27-20-13-21(17-7-5-4-6-8-17)23(28-16(2)25)22(14-20)18-9-11-19(26-3)12-10-18/h4-14H,1-3H3 ZYRSGBMBUDIYEU-UHFFFAOYSA-N 50340587 Acetic acid 5'-acetoxy-4''-methoxy-[1,1';3',1'']terphenyl-2'-yl ester::CHEMBL1762688 Beta-secretase 1 Homo sapiens 11150 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54580022 131343523 CHEMBL1762688 ZINC71330072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172155 Oc1cccc2C(=O)C=C(C(=O)c12)c1ccccc1 InChI=1S/C16H10O3/c17-13-8-4-7-11-14(18)9-12(16(19)15(11)13)10-5-2-1-3-6-10/h1-9,17H JXLXHUTXJMZVGZ-UHFFFAOYSA-N 50340583 8-hydroxy-2-phenylnaphthalene-1,4-dione::CHEMBL1762557 Beta-secretase 1 Homo sapiens 8980 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54583965 131343519 CHEMBL1762557 ZINC71317329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172156 COc1ccc(cc1)-c1cc(O)cc(-c2ccccc2)c1OC(C)=O InChI=1S/C21H18O4/c1-14(22)25-21-19(15-6-4-3-5-7-15)12-17(23)13-20(21)16-8-10-18(24-2)11-9-16/h3-13,23H,1-2H3 ZCNMHEIEGPKXSL-UHFFFAOYSA-N 50340589 4-Acetoxy-1-hydroxy-2-(4-methoxyphenyl)-6-phenylbenzene::CHEMBL1762689 Beta-secretase 1 Homo sapiens 11290 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54585911 131343525 CHEMBL1762689 ZINC71316743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172157 COc1cccc2C(=O)C=C(C(=O)c12)c1ccc(O)cc1 InChI=1S/C17H12O4/c1-21-15-4-2-3-12-14(19)9-13(17(20)16(12)15)10-5-7-11(18)8-6-10/h2-9,18H,1H3 SRURJJYDFSINQP-UHFFFAOYSA-N 50340586 2-(4-hydroxyphenyl)-8-methoxynaphthalene-1,4-dione::CHEMBL1762558 Beta-secretase 1 Homo sapiens 10310 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49800141 131343522 CHEMBL1762558 ZINC71296993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172158 COc1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccc(OC)cc1 InChI=1S/C20H16O4/c1-23-15-7-3-13(4-8-15)17-11-20(22)18(12-19(17)21)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3 JZJYUHYPMJANNP-UHFFFAOYSA-N 50340597 2,5-Bis-(4-methoxyphenyl)-1,4-benzoquinone::CHEMBL1762678 Beta-secretase 1 Homo sapiens 23260 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 94727 131343533 CHEMBL1762678 ZINC01596358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172159 O=C1C=C(C(=O)C(=C1)c1ccccc1)c1ccccc1 InChI=1S/C18H12O2/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12H SMDLELADPFDJCZ-UHFFFAOYSA-N 50340590 2,6-Diphenyl-1,4-benzoquinone::CHEMBL1762679 Beta-secretase 1 Homo sapiens 11430 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6451462 131343526 CHEMBL1762679 ZINC71318865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172160 FC(F)(F)c1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccccc1 InChI=1S/C19H11F3O2/c20-19(21,22)14-8-6-13(7-9-14)16-11-17(23)15(10-18(16)24)12-4-2-1-3-5-12/h1-11H AYAFQQLEQMIVCQ-UHFFFAOYSA-N 50340581 2-Phenyl-5-(4-trifluoromethylphenyl)-1,4-benzoquinone::CHEMBL1762560 Beta-secretase 1 Homo sapiens 6520 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52918159 131343517 CHEMBL1762560 ZINC71296880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172161 COc1ccc(cc1)C1=CC(=O)C=C(C1=O)c1ccccc1 InChI=1S/C19H14O3/c1-22-16-9-7-14(8-10-16)18-12-15(20)11-17(19(18)21)13-5-3-2-4-6-13/h2-12H,1H3 YBXYRCPLMQWARC-UHFFFAOYSA-N 50340593 2-(4-Methoxyphenyl)-6-phenyl-1,4-benzoquinone::CHEMBL1762681 Beta-secretase 1 Homo sapiens 13410 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 14977406 131343529 CHEMBL1762681 ZINC71330981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172162 Oc1cc(c(O)cc1-c1ccccc1)-c1ccccc1 InChI=1S/C18H14O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12,19-20H BVVCBZSERKSMIE-UHFFFAOYSA-N 50340594 CHEMBL1762683::[1,1';4'1'']Terphenyl-2'5'-diol Beta-secretase 1 Homo sapiens 15960 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72859 131343530 CHEMBL1762683 ZINC01712464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172163 O=C1C=C(C(=O)c2ccccc12)c1ccccc1 InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-10H CIDYIYSNDAJNGX-UHFFFAOYSA-N 50340585 2-phenylnaphthalene-1,4-dione::CHEMBL1762552 Beta-secretase 1 Homo sapiens 9330 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 296675 131343521 CHEMBL1762552 ZINC00290868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172164 COc1ccc(cc1)-c1cc(O)cc(c1O)-c1ccccc1 InChI=1S/C19H16O3/c1-22-16-9-7-14(8-10-16)18-12-15(20)11-17(19(18)21)13-5-3-2-4-6-13/h2-12,20-21H,1H3 MEXMXUGSZIRNGZ-UHFFFAOYSA-N 50340584 3''-Methoxy-[1,1';3'1'']terphenyl-2',5'-diol::CHEMBL1762684 Beta-secretase 1 Homo sapiens 9100 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54582051 131343520 CHEMBL1762684 ZINC71319300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172165 Oc1ccc(cc1)C1=CC(=O)c2ccccc2C1=O InChI=1S/C16H10O3/c17-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)16(14)19/h1-9,17H UTGTVDAIRBBAPK-UHFFFAOYSA-N 50340582 2-(4-hydroxyphenyl)naphthalene-1,4-dione::CHEMBL1762553 Beta-secretase 1 Homo sapiens 8220 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11776869 131343518 CHEMBL1762553 ZINC36427993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172166 Oc1cccc2C(=O)C(=CC(=O)c12)c1ccccc1 InChI=1S/C16H10O3/c17-13-8-4-7-11-15(13)14(18)9-12(16(11)19)10-5-2-1-3-6-10/h1-9,17H LKPNTMRUGRFRCU-UHFFFAOYSA-N 50340592 5-hydroxy-2-phenylnaphthalene-1,4-dione::CHEMBL1762554 Beta-secretase 1 Homo sapiens 12560 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10999443 131343528 CHEMBL1762554 ZINC71330642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172167 Oc1ccc(cc1)C1=CC(=O)c2c(O)cccc2C1=O InChI=1S/C16H10O4/c17-10-6-4-9(5-7-10)12-8-14(19)15-11(16(12)20)2-1-3-13(15)18/h1-8,17-18H AHEPGAVEXASANC-UHFFFAOYSA-N 50340595 5-hydroxy-2-(4-hydroxyphenyl)naphthalene-1,4-dione::CHEMBL1762555 Beta-secretase 1 Homo sapiens 16090 ChEMBL 10.1016/j.bmcl.2011.03.023 10.7270/Q2JS9QRG 21441028 Ortega, A; Rincon, A; Jimenez-Aliaga, KL; Bermejo-Bescos, P; Martin-Aragon, S; Molina, MT; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10468093 131343531 CHEMBL1762555 ZINC38920947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172170 O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(Cl)c1 InChI=1S/C19H20BrCl2NO4S/c20-16-6-11(1-2-18(16)24)3-13-9-28(26,27)10-17(19(13)25)23-8-12-4-14(21)7-15(22)5-12/h1-2,4-7,13,17,19,23-25H,3,8-10H2/t13-,17+,19+/m1/s1 DPPDCMCLHYHXQI-FMEYXAORSA-N 50341185 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3,5-dichloro-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760867 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54581140 131344121 CHEMBL1760867 ZINC71329245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172171 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C23H30BrNO4S/c1-23(2,3)18-6-4-5-16(10-18)12-25-20-14-30(28,29)13-17(22(20)27)9-15-7-8-21(26)19(24)11-15/h4-8,10-11,17,20,22,25-27H,9,12-14H2,1-3H3/t17-,20+,22+/m1/s1 YHCNHDIDECZSCA-AGHHOFFYSA-N 50341181 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-tert-butyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760865 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54583130 131344117 CHEMBL1760865 ZINC71318947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172172 CC(C)Oc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C22H28BrNO5S/c1-14(2)29-18-5-3-4-16(9-18)11-24-20-13-30(27,28)12-17(22(20)26)8-15-6-7-21(25)19(23)10-15/h3-7,9-10,14,17,20,22,24-26H,8,11-13H2,1-2H3/t17-,20+,22+/m1/s1 JCBBGNMACVVSAK-AGHHOFFYSA-N 50341182 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-isopropoxy-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760866 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54586033 131344118 CHEMBL1760866 ZINC71319331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172173 O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1ccccc1 InChI=1S/C19H22BrNO4S/c20-16-9-14(6-7-18(16)22)8-15-11-26(24,25)12-17(19(15)23)21-10-13-4-2-1-3-5-13/h1-7,9,15,17,19,21-23H,8,10-12H2/t15-,17+,19+/m1/s1 VMMOXGOGBPGNOE-AYBZRNKSSA-N 50341179 (3R,4S,5S)-3-Benzylamino-5-(3-bromo-4-hydroxy-benzyl)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760863 Beta-secretase 1 Homo sapiens 66000 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54585056 131344115 CHEMBL1760863 ZINC71319287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172174 CC(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C21H27BrN2O4S/c1-13(2)15-5-6-23-17(9-15)10-24-19-12-29(27,28)11-16(21(19)26)7-14-3-4-20(25)18(22)8-14/h3-6,8-9,13,16,19,21,24-26H,7,10-12H2,1-2H3/t16-,19+,21+/m1/s1 HWUXURZHDGRFJV-PBEJRMEISA-N 50341180 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-[(4-isopropyl-pyridin-2-ylmethyl)-amino]-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760864 Beta-secretase 1 Homo sapiens 4300 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54584123 131344116 CHEMBL1760864 ZINC71296400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172175 CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O InChI=1S/C29H40N2O6S/c1-4-10-31-25(16-37-29(31)34)14-23-11-20(8-9-27(23)32)12-24-17-38(35,36)18-26(28(24)33)30-15-21-6-5-7-22(13-21)19(2)3/h5-9,11,13,19,24-26,28,30,32-33H,4,10,12,14-18H2,1-3H3/t24-,25+,26+,28+/m1/s1 JYNDAPHZRSRSGI-KAHNYGAISA-N 50341176 (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one::(S)-4-{2-Hydroxy-5-[(3S,4S,5R)-4-hydroxy-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-3-ylmethyl]-benzyl}-3-propyl-oxazolidin-2-one::CHEMBL1615184 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QBH 3QBH 50937466 131344112 CHEMBL1615184 ZINC64744194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172176 O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cccc(c1)C1CC1 InChI=1S/C22H26BrNO4S/c23-19-10-14(4-7-21(19)25)8-18-12-29(27,28)13-20(22(18)26)24-11-15-2-1-3-17(9-15)16-5-6-16/h1-4,7,9-10,16,18,20,22,24-26H,5-6,8,11-13H2/t18-,20+,22+/m1/s1 NDEIDRFQAYLHLT-CBQOVEMMSA-N 50341184 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-cyclopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide::CHEMBL1614769 Beta-secretase 1 Homo sapiens 950 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3P5 3PI5 24877631 131344120 CHEMBL1614769 ZINC64490881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172177 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C23H30BrNO4S/c1-23(2,3)18-6-4-5-16(10-18)12-25-20-14-30(28,29)13-17(22(20)27)9-15-7-8-21(26)19(24)11-15/h4-8,10-11,17,20,22,25-27H,9,12-14H2,1-3H3/t17-,20+,22+/m1/s1 YHCNHDIDECZSCA-AGHHOFFYSA-N 50341181 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-tert-butyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760865 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54583130 131344117 CHEMBL1760865 ZINC71318947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172178 CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)c1 InChI=1S/C25H35NO4S/c1-4-11-30-23-10-6-7-19(14-23)12-22-16-31(28,29)17-24(25(22)27)26-15-20-8-5-9-21(13-20)18(2)3/h5-10,13-14,18,22,24-27H,4,11-12,15-17H2,1-3H3/t22-,24+,25+/m1/s1 GNBXYKBHOVNHLC-VJTSUQJLSA-N 50341164 (+/-)-(3R,4S,5S)-3-(3-Isopropyl-benzylamino)-1,1-dioxo-5-(3-propoxy-benzyl)-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760733 Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877750 131344100 CHEMBL1760733 ZINC71296951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172179 CC(C)Oc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C22H28BrNO5S/c1-14(2)29-18-5-3-4-16(9-18)11-24-20-13-30(27,28)12-17(22(20)26)8-15-6-7-21(25)19(23)10-15/h3-7,9-10,14,17,20,22,24-26H,8,11-13H2,1-2H3/t17-,20+,22+/m1/s1 JCBBGNMACVVSAK-AGHHOFFYSA-N 50341182 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-isopropoxy-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760866 Beta-secretase 1 Homo sapiens 8500 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54586033 131344118 CHEMBL1760866 ZINC71319331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172180 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccccc3)[C@@H]2O)c1 InChI=1S/C22H29NO3S/c1-16(2)19-10-6-9-18(12-19)13-23-21-15-27(25,26)14-20(22(21)24)11-17-7-4-3-5-8-17/h3-10,12,16,20-24H,11,13-15H2,1-2H3/t20-,21+,22+/m1/s1 LCGDGEISYQZCHX-FSSWDIPSSA-N 50341162 (+/-)-(3S,4S,5R)-3-Benzyl-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760731 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341162&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877746 131344098 CHEMBL1760731 ZINC71330865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172181 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 InChI=1S/C22H28BrNO3S/c1-15(2)18-7-3-6-17(10-18)12-24-21-14-28(26,27)13-19(22(21)25)9-16-5-4-8-20(23)11-16/h3-8,10-11,15,19,21-22,24-25H,9,12-14H2,1-2H3/t19-,21+,22+/m1/s1 BNQCGJHFIWENNV-HJNYFJLDSA-N 50341163 (+/-)-(3S,4S,5R)-3-(3-Bromo-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760732 Beta-secretase 1 Homo sapiens 760 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877749 131344099 CHEMBL1760732 ZINC71317410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158226 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1 GCZHKZTYTMTFGU-JHOUSYSJSA-N 50305527 (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::(S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595066 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0BI 5QD7,3K5C 44631842 104159888 CHEMBL595066 ZINC43203209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161545 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161546 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24) AIKOTXHNUIYVMD-UHFFFAOYSA-N 50310155 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL604590::rac-2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 472 3IN3 15950666 104144516 CHEMBL604590 ZINC34804868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161547 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161548 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24) RDWGKVFCNRXSNW-UHFFFAOYSA-N 50310149 2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL598876::rac-2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951416 104144510 CHEMBL598876 ZINC34806291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161549 CN1C(N)=N[C@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1 RKYFABJLGJZOBA-OAQYLSRUSA-N 50314606 (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one::(S)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092788 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z81 3LHG 46830239 104148967 CHEMBL1092788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161550 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26) RKYFABJLGJZOBA-UHFFFAOYSA-N 50314604 (+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092787 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z81 3LHG 11990754 104148965 CHEMBL1092787 ZINC49070017 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161551 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-8-10-25-11-9-14)15-5-2-4-13(12-15)16-6-3-7-17(22)18(16)23/h2-12H,1H3,(H2,24,26) GIDCLQLMYYYDAO-UHFFFAOYSA-N 50314611 2-amino-4-(2',3'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092786 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46883935 104148972 CHEMBL1092786 ZINC49125784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161552 COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25) PVTVKIDYHUXCHW-UHFFFAOYSA-N 50314607 2-amino-4-(3'-methoxybiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092124 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951489 104148968 CHEMBL1092124 ZINC34806437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161553 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F InChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25) CMYIUDXGRYVNQW-UHFFFAOYSA-N 50314603 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1090027 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46884002 104148964 CHEMBL1090027 ZINC49067891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161554 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cnccn1 InChI=1S/C19H16N6O/c1-25-17(26)19(24-18(25)20,14-5-7-21-8-6-14)15-4-2-3-13(11-15)16-12-22-9-10-23-16/h2-12H,1H3,(H2,20,24) RXUACQZGEBHKBX-UHFFFAOYSA-N 50314612 2-amino-1-methyl-4-(3-(pyrazin-2-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1090026 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951488 104148973 CHEMBL1090026 ZINC34806434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161555 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccoc1 InChI=1S/C19H16N4O2/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22) TWFCSUNZDWGKTE-UHFFFAOYSA-N 50314602 2-amino-4-(3-(furan-3-yl)phenyl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1090025 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950520 104148963 CHEMBL1090025 ZINC34804572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161565 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26) AYXHXAPMJNZSFH-UHFFFAOYSA-N 50314600 2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1091463 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951484 104148961 CHEMBL1091463 ZINC34806420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161566 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccsc1 InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22) LNJSOHPMNUFUKA-UHFFFAOYSA-N 50314601 2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1091441 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950518 104148962 CHEMBL1091441 ZINC34804564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161567 CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m0/s1 RKYFABJLGJZOBA-NRFANRHFSA-N 50314605 (R)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1093066 Beta-secretase 1 Homo sapiens 3810 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46883936 104148966 CHEMBL1093066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161568 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25) BYOHYWAJTOLKKC-UHFFFAOYSA-N 50314610 2-amino-4-(3'-fluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092476 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951420 104148971 CHEMBL1092476 ZINC34806305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161569 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C22H17N5O/c1-27-20(28)22(26-21(27)24,18-8-10-25-11-9-18)19-7-3-6-17(13-19)16-5-2-4-15(12-16)14-23/h2-13H,1H3,(H2,24,26) MADLMWLQBKXXTR-UHFFFAOYSA-N 50314609 3'-(2-amino-1-methyl-5-oxo-4-(pyridin-4-yl)-4,5-dihydro-1H-imidazol-4-yl)biphenyl-3-carbonitrile::CHEMBL1092475 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951487 104148970 CHEMBL1092475 ZINC34806430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161570 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28) JAKDICIOTSABEG-UHFFFAOYSA-N 50314608 2-amino-1-methyl-4-(pyridin-4-yl)-4-(3'-(trifluoromethoxy)biphenyl-3-yl)-1H-imidazol-5(4H)-one::CHEMBL1092125 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951486 104148969 CHEMBL1092125 ZINC34806426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161571 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18) IMGNUVBMHZZYCN-UHFFFAOYSA-N 50310154 2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL597233::rac-2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 2680 ChEMBL 10.1016/j.bmcl.2010.01.136 10.7270/Q28C9WDF 20202842 Zhou, P; Li, Y; Fan, Y; Wang, Z; Chopra, R; Olland, A; Hu, Y; Magolda, RL; Pangalos, M; Reinhart, PH; Turner, MJ; Bard, J; Malamas, MS; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951413 104144515 CHEMBL597233 ZINC34806279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161581 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccn3)cc2)n1 InChI=1S/C27H21ClN4O/c28-23-8-2-1-7-22(23)25-16-15-24(32(25)18-20-6-5-9-26(29)31-20)19-11-13-21(14-12-19)33-27-10-3-4-17-30-27/h1-17H,18H2,(H2,29,31) UZBWQGRHZWIKNZ-UHFFFAOYSA-N 50315011 6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1091592 Beta-secretase 1 Homo sapiens 810 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46884524 104149372 CHEMBL1091592 ZINC49116169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170093 CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/m0/s1 MFTIFCUQYSAMLU-FMLRHLGWSA-N 50333944 (S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methyl)-2-{(S)-2-hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-methyl-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-3-methyl-butyramide::CHEMBL1644462 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53320863 125084046 CHEMBL1644462 ZINC95546920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170094 CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1 InChI=1S/C45H55N5O8S2/c1-28(2)37(43(54)49-45(59-29(3)4)44(55)46-25-30-14-9-7-10-15-30)24-39(51)38-27-58-26-31-16-13-19-33(20-31)40(32-17-11-8-12-18-32)48-42(53)35-21-34(41(52)47-38)22-36(23-35)50(5)60(6,56)57/h7-23,28-29,37-40,45,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40?,45-/m0/s1 FORMHTPKYXAYSB-SPHURBIESA-N 50333945 (S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methyl)-2-{(S)-2-hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-2,15-dioxo-4-phenyl-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-3-methyl-butyramide::CHEMBL1644463 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53318217 125084047 CHEMBL1644463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170095 COc1ccc(cc1)C1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O InChI=1S/C38H50N4O8S/c1-23(2)20-39-38(46)32(24(3)4)19-34(43)33-22-50-21-25-9-8-10-27(15-25)35(26-11-13-31(49-6)14-12-26)41-37(45)29-16-28(36(44)40-33)17-30(18-29)42(5)51(7,47)48/h8-18,23-24,32-35,43H,19-22H2,1-7H3,(H,39,46)(H,40,44)(H,41,45)/t32-,33-,34-,35?/m0/s1 NXLITCKBWIAXEQ-QPMRDEQLSA-N 50333948 (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-(4-methoxy-phenyl)-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramideyramide::CHEMBL1644466 Beta-secretase 1 Homo sapiens 3100 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53326116 125084050 CHEMBL1644466 ZINC72114015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170096 COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O InChI=1S/C35H52N4O8S/c1-22(2)19-36-35(43)29(23(3)4)18-32(40)31-21-47-20-24-10-8-11-25(14-24)30(12-9-13-46-6)37-33(41)26-15-27(34(42)38-31)17-28(16-26)39(5)48(7,44)45/h8,10-11,14-17,22-23,29-32,40H,9,12-13,18-21H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)/t29-,30?,31-,32-/m0/s1 FUEBVLZNNDKTAY-IPDPXPSLSA-N 50333949 (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-(3-methoxy-propyl)-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramide::CHEMBL1644467 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53316912 125084051 CHEMBL1644467 ZINC72114017 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170097 CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34?/m0/s1 NUOROLSRIMMSEX-WUPFMNCUSA-N 50333946 (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-2,15-dioxo-4-phenyl-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramide::CHEMBL1644464 Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322198 125084048 CHEMBL1644464 ZINC58632044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170098 CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C InChI=1S/C34H42N4O7S/c1-21(2)28(34(42)35-3)18-30(39)29-20-45-19-22-10-9-13-24(14-22)31(23-11-7-6-8-12-23)37-33(41)26-15-25(32(40)36-29)16-27(17-26)38(4)46(5,43)44/h6-17,21,28-31,39H,18-20H2,1-5H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,31?/m0/s1 BXMWIRLJJNVREQ-PFDUYEAOSA-N 50333947 (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-2,15-dioxo-4-phenyl-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-3,N-dimethyl-butyramide::CHEMBL1644465 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322199 125084049 CHEMBL1644465 ZINC72113999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170100 COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O InChI=1S/C34H50N4O9S/c1-21(2)18-35-33(42)28(22(3)4)17-30(39)29-20-46-19-23-9-8-10-24(13-23)34(47-12-11-45-6)37-32(41)26-14-25(31(40)36-29)15-27(16-26)38(5)48(7,43)44/h8-10,13-16,21-22,28-30,34,39H,11-12,17-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,34?/m0/s1 PVPCBXKRPVESEX-LMDNDRLDSA-N 50333950 (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-(2-methoxy-ethoxy)-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramide::CHEMBL1644468 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53324843 125084052 CHEMBL1644468 ZINC72115282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170101 COCCOC1CCCc2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O InChI=1S/C36H55N3O8S/c1-24(2)21-37-36(42)31(25(3)4)20-33(40)32-23-46-22-27-11-8-12-28(17-27)34(47-15-14-45-6)13-9-10-26-16-29(35(41)38-32)19-30(18-26)39(5)48(7,43)44/h8,11-12,16-19,24-25,31-34,40H,9-10,13-15,20-23H2,1-7H3,(H,37,42)(H,38,41)/t31-,32-,33-,34?/m0/s1 KSBWLAGPKYTNIN-WUPFMNCUSA-N 50333951 (S)-2-{(S)-2-Hydroxy-2-[(S)-19-(methanesulfonyl-methyl-amino)-5-(2-methoxy-ethoxy)-16-oxo-12-oxa-15-aza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6,8,10(22),17,19-hexaen-14-yl]-ethyl}-N-isobutyl-3-methyl-butyramide::CHEMBL1644469 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53326117 125084053 CHEMBL1644469 ZINC72114024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50170104 CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C46H59N5O8S/c1-30(2)39(45(55)50-42(31(3)4)46(56)47-27-33-17-11-8-12-18-33)26-41(52)40(29-59-28-34-19-13-9-14-20-34)49-44(54)37-23-36(24-38(25-37)51(6)60(7,57)58)43(53)48-32(5)35-21-15-10-16-22-35/h8-25,30-32,39-42,52H,26-29H2,1-7H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t32-,39+,40+,41+,42+/m1/s1 HEMFWPJCESMEDL-QBPLJRLLSA-N 50333943 CHEMBL1644461::N1-((2S,3S,5S)-5-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylcarbamoyl)-1-(benzyloxy)-3-hydroxy-6-methylheptan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2010.10.140 10.7270/Q2HM58RJ 21112780 Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25096462 125084045 CHEMBL1644461 ZINC95546918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172237 COc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)cc1Br InChI=1S/C23H30BrNO4S/c1-15(2)18-6-4-5-17(10-18)12-25-21-14-30(27,28)13-19(23(21)26)9-16-7-8-22(29-3)20(24)11-16/h4-8,10-11,15,19,21,23,25-26H,9,12-14H2,1-3H3/t19-,21+,23+/m1/s1 KEZSNNBWOXENPX-NWSQWKLXSA-N 50341166 (3S,4S,5R)-3-(3-Bromo-4-methoxy-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760852 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877517 131344102 CHEMBL1760852 ZINC71316399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172238 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 InChI=1S/C22H29NO4S/c1-15(2)18-5-3-4-17(11-18)12-23-21-14-28(26,27)13-19(22(21)25)10-16-6-8-20(24)9-7-16/h3-9,11,15,19,21-25H,10,12-14H2,1-2H3/t19-,21+,22+/m1/s1 YJFRNEHCLIEELY-HJNYFJLDSA-N 50341167 (+/-)-(3S,4S,5R)-3-(4-Hydroxy-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760729 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877744 131344103 CHEMBL1760729 ZINC71296985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172239 CC(C)c1cccc(CN[C@H]2COC[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C22H28BrNO3/c1-14(2)17-5-3-4-16(9-17)11-24-20-13-27-12-18(22(20)26)8-15-6-7-21(25)19(23)10-15/h3-7,9-10,14,18,20,22,24-26H,8,11-13H2,1-2H3/t18-,20+,22+/m1/s1 BNTQUTZGHPRNDB-CBQOVEMMSA-N 50341183 (3R,4S,5S)-3-(3-bromo-4-hydroxybenzyl)-5-(3-isopropylbenzylamino)tetrahydro-2H-pyran-4-ol::CHEMBL1760730 Beta-secretase 1 Homo sapiens 55000 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54581101 131344119 CHEMBL1760730 ZINC71296391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172240 CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O InChI=1S/C26H37NO4S/c1-4-5-8-22-12-19(10-11-25(22)28)13-23-16-32(30,31)17-24(26(23)29)27-15-20-7-6-9-21(14-20)18(2)3/h6-7,9-12,14,18,23-24,26-29H,4-5,8,13,15-17H2,1-3H3/t23-,24+,26+/m1/s1 COSNLASPZRJXQX-USZFVNFHSA-N 50341171 (3S,4S,5R)-3-(3-Butyl-4-hydroxy-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760856 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877514 131344107 CHEMBL1760856 ZINC71330953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172241 CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O InChI=1S/C25H35NO4S/c1-4-6-21-11-18(9-10-24(21)27)12-22-15-31(29,30)16-23(25(22)28)26-14-19-7-5-8-20(13-19)17(2)3/h5,7-11,13,17,22-23,25-28H,4,6,12,14-16H2,1-3H3/t22-,23+,25+/m1/s1 HAEKBOJDTPQZDQ-CUYJMHBOSA-N 50341172 (3S,4S,5R)-3-(4-Hydroxy-3-propyl-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760857 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877512 131344108 CHEMBL1760857 ZINC71317056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172242 CCCOCc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)c1 InChI=1S/C26H37NO4S/c1-4-11-31-16-22-9-5-7-20(12-22)13-24-17-32(29,30)18-25(26(24)28)27-15-21-8-6-10-23(14-21)19(2)3/h5-10,12,14,19,24-28H,4,11,13,15-18H2,1-3H3/t24-,25+,26+/m1/s1 AEZXMYXSAYELNI-ZNZIZOMTSA-N 50341165 (+/-)-(3R,4S,5S)-3-(3-Isopropyl-benzylami no)-1,1-dioxo-5-(3-propoxymethyl-be nzyl)-hexahydro-1lambda*6*-thiopyra n-4-ol::CHEMBL1760734 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54584085 131344101 CHEMBL1760734 ZINC71296395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172243 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 InChI=1S/C23H31NO5S/c1-15(2)18-5-3-4-17(10-18)11-24-21-14-30(28,29)13-20(23(21)27)9-16-6-7-22(26)19(8-16)12-25/h3-8,10,15,20-21,23-27H,9,11-14H2,1-2H3/t20-,21+,23+/m1/s1 GDDUFVNKGWWPLA-GIWBLDEGSA-N 50341169 (3S,4S,5R)-3-(4-Hydroxy-3-hydroxymethyl-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760854 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54580145 131344105 CHEMBL1760854 ZINC71315990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172244 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 InChI=1S/C24H33NO5S/c1-16(2)19-5-3-4-18(12-19)13-25-22-15-31(29,30)14-21(24(22)28)11-17-6-7-23(27)20(10-17)8-9-26/h3-7,10,12,16,21-22,24-28H,8-9,11,13-15H2,1-2H3/t21-,22+,24+/m1/s1 UAFFQIGZGPYEIP-GPXNEJASSA-N 50341170 (3S,4S,5R)-3-[4-Hydroxy-3-(2-hydroxy-ethyl)-benzyl]-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760855 Beta-secretase 1 Homo sapiens 990 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877515 131344106 CHEMBL1760855 ZINC71296569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172245 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C22H28BrNO4S/c1-14(2)17-5-3-4-16(9-17)11-24-20-13-29(27,28)12-18(22(20)26)8-15-6-7-21(25)19(23)10-15/h3-7,9-10,14,18,20,22,24-26H,8,11-13H2,1-2H3/t18-,20+,22+/m1/s1 RWFVYPSAMVBVLR-CBQOVEMMSA-N 50341174 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760859 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877625 131344110 CHEMBL1760859 ZINC71296479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172246 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Cc4cccc(C)c4)c3)[C@@H]2O)c1 InChI=1S/C30H37NO4S/c1-20(2)25-9-5-8-24(16-25)17-31-28-19-36(34,35)18-27(30(28)33)15-23-10-11-29(32)26(14-23)13-22-7-4-6-21(3)12-22/h4-12,14,16,20,27-28,30-33H,13,15,17-19H2,1-3H3/t27-,28+,30+/m1/s1 JNGIVUBSKHWMOF-UNRZKBSHSA-N 50341168 (+/-)-(3S,4S,5R)-3-[4-Hydroxy-3-(3-methyl-benzyl)-benzyl]-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760853 Beta-secretase 1 Homo sapiens 6200 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54583129 131344104 CHEMBL1760853 ZINC71317035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172247 N[C@H]1CS(=O)(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@@H]1O InChI=1S/C12H16BrNO4S/c13-9-4-7(1-2-11(9)15)3-8-5-19(17,18)6-10(14)12(8)16/h1-2,4,8,10,12,15-16H,3,5-6,14H2/t8-,10+,12+/m1/s1 CSNNEONDATWXHU-QRTLGDNMSA-N 50341178 (3R,4S,5S)-3-Amino-5-(3-bromo-4-hydroxy-benzyl)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760862 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54581139 131344114 CHEMBL1760862 ZINC71317816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172248 CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)cc1Br InChI=1S/C24H31BrN2O5S/c1-15(2)18-6-4-5-17(10-18)12-27-21-14-33(30,31)13-19(23(21)28)9-16-7-8-22(20(25)11-16)32-24(29)26-3/h4-8,10-11,15,19,21,23,27-28H,9,12-14H2,1-3H3,(H,26,29)/t19-,21+,23+/m1/s1 WLKPKWJBEUBAOG-NWSQWKLXSA-N 50341175 CHEMBL1760860::Methyl-carbamic acid 2-bromo-4-[(3S,4S,5R)-4-hydroxy-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-3-ylmethyl]-phenylester Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54585055 131344111 CHEMBL1760860 ZINC71296570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172249 CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c1 InChI=1S/C22H28F2N2O2/c1-14(2)18-6-4-5-16(7-18)12-25-13-22(28)21(26-15(3)27)10-17-8-19(23)11-20(24)9-17/h4-9,11,14,21-22,25,28H,10,12-13H2,1-3H3,(H,26,27)/t21-,22+/m0/s1 BCHBFHFXBPRLMV-FCHUYYIVSA-N 50341177 CHEMBL1760861::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-isopropylbenzylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54586032 131344113 CHEMBL1760861 ZINC71317460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172250 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O InChI=1S/C24H33NO4S/c1-4-19-10-17(8-9-23(19)26)11-21-14-30(28,29)15-22(24(21)27)25-13-18-6-5-7-20(12-18)16(2)3/h5-10,12,16,21-22,24-27H,4,11,13-15H2,1-3H3/t21-,22+,24+/m1/s1 BYTGAALBWBYPIF-GPXNEJASSA-N 50341173 (3S,4S,5R)-3-(3-Ethyl-4-hydroxy-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760858 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877858 131344109 CHEMBL1760858 ZINC71317094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172251 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 InChI=1S/C22H28BrNO4S/c1-14(2)17-5-3-4-16(9-17)11-24-20-13-29(27,28)12-18(22(20)26)8-15-6-7-21(25)19(23)10-15/h3-7,9-10,14,18,20,22,24-26H,8,11-13H2,1-2H3/t18-,20+,22+/m1/s1 RWFVYPSAMVBVLR-CBQOVEMMSA-N 50341174 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::CHEMBL1760859 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2011.02.038 10.7270/Q2DZ08MC 21388807 Rueeger, H; Rondeau, JM; McCarthy, C; Mobitz, H; Tintelnot-Blomley, M; Neumann, U; Desrayaud, S Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50341174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50341174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24877625 131344110 CHEMBL1760859 ZINC71296479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158227 CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3 InChI=1S/C35H48N4O5S/c1-5-16-45(42,43)39(4)31-21-29-20-30(22-31)37-14-6-7-15-44-32-13-9-10-26(18-32)19-33(38-35(29)41)34(40)24-36-23-27-11-8-12-28(17-27)25(2)3/h8-13,17-18,20-22,25,33-34,36-37,40H,5-7,14-16,19,23-24H2,1-4H3,(H,38,41)/t33-,34+/m0/s1 HWLAFZXKYIUVHI-SZAHLOSFSA-N 50305542 CHEMBL595016::Propane-1-sulfonic acid{(S)-4-[(R)-1-hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-2-oxo-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl}-methyl-amide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225201 104159903 CHEMBL595016 ZINC49757226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158228 COCc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)C)c3)n1 InChI=1S/C34H43N3O5/c1-23(2)25-9-7-10-27(18-25)34(12-13-34)35-21-31(38)30-17-24-8-6-11-29(16-24)41-14-4-5-15-42-32-20-26(33(39)37-30)19-28(36-32)22-40-3/h6-11,16,18-20,23,30-31,35,38H,4-5,12-15,17,21-22H2,1-3H3,(H,37,39)/t30-,31+/m0/s1 ULGBSRGDBHJMRG-IOWSJCHKSA-N 50305536 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595267 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46190732 104159897 CHEMBL595267 ZINC43203210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158229 CC(C)c1cccc(c1)C(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C32H41N3O4/c1-21(2)25-10-8-11-26(18-25)23(4)33-20-30(36)29-17-24-9-7-12-28(16-24)38-13-5-6-14-39-31-19-27(32(37)35-29)15-22(3)34-31/h7-12,15-16,18-19,21,23,29-30,33,36H,5-6,13-14,17,20H2,1-4H3,(H,35,37)/t23?,29-,30+/m0/s1 WRDFTFAHALVDPT-XSJQRQGXSA-N 50305540 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-ethylamino]-ethyl}-19-methyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL591547 Beta-secretase 1 Homo sapiens 83 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225203 104159901 CHEMBL591547 ZINC49756864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158230 COCC(NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cc(COC)cc(c3)C(=O)N1)c2)c1cccc(c1)C(C)(C)C InChI=1S/C36H49N3O5/c1-36(2,3)29-12-9-11-27(20-29)33(24-43-5)38-22-34(40)32-19-25-10-8-13-31(18-25)44-15-7-6-14-37-30-17-26(23-42-4)16-28(21-30)35(41)39-32/h8-13,16-18,20-21,32-34,37-38,40H,6-7,14-15,19,22-24H2,1-5H3,(H,39,41)/t32-,33?,34+/m0/s1 KEWIBIGKBFEKRG-DWJMSNRFSA-N 50305541 (S)-4-{(R)-2-[1-(3-tert-Butyl-phenyl)-2-methoxy-ethylamino]-1-hydroxy-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL594903 Beta-secretase 1 Homo sapiens 668 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225202 104159902 CHEMBL594903 ZINC49756858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158231 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C33H41N3O4/c1-22(2)25-9-7-10-27(19-25)33(12-13-33)34-21-30(37)29-18-24-8-6-11-28(17-24)39-14-4-5-15-40-31-20-26(32(38)36-29)16-23(3)35-31/h6-11,16-17,19-20,22,29-30,34,37H,4-5,12-15,18,21H2,1-3H3,(H,36,38)/t29-,30+/m0/s1 DLWWAEZPTACWPK-XZWHSSHBSA-N 50305537 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL600326 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46191766 104159898 CHEMBL600326 ZINC43203211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158232 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(c1cccc(c1)C(C)(C)C)C(F)(F)F)c3 InChI=1S/C35H44F3N3O4/c1-34(2,3)27-11-8-10-25(19-27)32(35(36,37)38)40-21-31(42)30-18-23-9-7-12-29(17-23)45-14-6-5-13-39-28-16-24(22-44-4)15-26(20-28)33(43)41-30/h7-12,15-17,19-20,30-32,39-40,42H,5-6,13-14,18,21-22H2,1-4H3,(H,41,43)/t30-,31+,32?/m0/s1 VNZSVUSLCTXQLM-JGIBFQFJSA-N 50305538 (S)-4-{(R)-2-[1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethylamino]-1-hydroxy-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL609295 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225205 104159899 CHEMBL609295 ZINC49771508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158233 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C33H41N3O4/c1-22(2)25-9-7-10-27(19-25)33(12-13-33)34-21-30(37)29-18-24-8-6-11-28(17-24)39-14-4-5-15-40-31-20-26(32(38)36-29)16-23(3)35-31/h6-11,16-17,19-20,22,29-30,34,37H,4-5,12-15,18,21H2,1-3H3,(H,36,38)/t29-,30+/m0/s1 DLWWAEZPTACWPK-XZWHSSHBSA-N 50305537 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL600326 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46191766 104159898 CHEMBL600326 ZINC43203211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158234 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(CF)c1cccc(c1)C(C)(C)C)c3 InChI=1S/C35H46FN3O4/c1-35(2,3)28-11-8-10-26(19-28)32(21-36)38-22-33(40)31-18-24-9-7-12-30(17-24)43-14-6-5-13-37-29-16-25(23-42-4)15-27(20-29)34(41)39-31/h7-12,15-17,19-20,31-33,37-38,40H,5-6,13-14,18,21-23H2,1-4H3,(H,39,41)/t31-,32?,33+/m0/s1 DDKJURVNAYNPKH-LJTKZVQESA-N 50305539 (S)-4-{(R)-2-[1-(3-tert-Butyl-phenyl)-2-fluoro-ethylamino]-1-hydroxy-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL594709 Beta-secretase 1 Homo sapiens 177 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225204 104159900 CHEMBL594709 ZINC49757119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158235 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(c3)C(=O)N1)N1CCCC1=O)c2 InChI=1S/C37H45N3O5/c1-25(2)27-9-6-10-29(20-27)37(13-14-37)38-24-34(41)33-19-26-8-5-11-31(18-26)44-16-3-4-17-45-32-22-28(36(43)39-33)21-30(23-32)40-15-7-12-35(40)42/h5-6,8-11,18,20-23,25,33-34,38,41H,3-4,7,12-17,19,24H2,1-2H3,(H,39,43)/t33-,34+/m0/s1 UPWNAHZYMBYMAH-SZAHLOSFSA-N 50305544 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-(2-oxo-pyrrolidin-1-yl)-11,16-dioxa-3-aza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595100 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225247 104159905 CHEMBL595100 ZINC49757056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158236 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1 GCZHKZTYTMTFGU-JHOUSYSJSA-N 50305527 (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::(S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595066 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0BI 5QD7,3K5C 44631842 104159888 CHEMBL595066 ZINC43203209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158237 COCc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)C)c3)n1 InChI=1S/C34H43N3O5/c1-23(2)25-9-7-10-27(18-25)34(12-13-34)35-21-31(38)30-17-24-8-6-11-29(16-24)41-14-4-5-15-42-32-20-26(33(39)37-30)19-28(36-32)22-40-3/h6-11,16,18-20,23,30-31,35,38H,4-5,12-15,17,21-22H2,1-3H3,(H,37,39)/t30-,31+/m0/s1 ULGBSRGDBHJMRG-IOWSJCHKSA-N 50305536 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595267 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46190732 104159897 CHEMBL595267 ZINC43203210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158238 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)C)c3 InChI=1S/C35H47N3O4/c1-24(2)27-11-9-12-29(20-27)35(3,4)37-22-33(39)32-19-25-10-8-13-31(18-25)42-15-7-6-14-36-30-17-26(23-41-5)16-28(21-30)34(40)38-32/h8-13,16-18,20-21,24,32-33,36-37,39H,6-7,14-15,19,22-23H2,1-5H3,(H,38,40)/t32-,33+/m0/s1 JQKDSQXCKPYWPA-JHOUSYSJSA-N 50305530 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-1-methyl-ethylamino]-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595185 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225249 104159891 CHEMBL595185 ZINC49756472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158239 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cc(cc(C)n4)C(=O)N2)c3)c1 InChI=1S/C31H40N4O3/c1-21(2)25-10-6-9-24(15-25)19-32-20-29(36)28-17-23-8-7-11-27(16-23)38-13-5-4-12-33-30-18-26(31(37)35-28)14-22(3)34-30/h6-11,14-16,18,21,28-29,32,36H,4-5,12-13,17,19-20H2,1-3H3,(H,33,34)(H,35,37)/t28-,29+/m0/s1 WPGDASXVPILJSI-URLMMPGGSA-N 50305534 (S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-19-methyl-11-oxa-3,16,18-triaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL601681 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225198 104159895 CHEMBL601681 ZINC45374503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158240 CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 InChI=1S/C37H50N4O5S/c1-5-18-47(44,45)41(4)32-23-29-22-31(24-32)38-16-6-7-17-46-33-13-8-10-27(19-33)20-34(40-36(29)43)35(42)25-39-37(14-15-37)30-12-9-11-28(21-30)26(2)3/h8-13,19,21-24,26,34-35,38-39,42H,5-7,14-18,20,25H2,1-4H3,(H,40,43)/t34-,35+/m0/s1 YTELHZGITUPWIN-OIDHKYIRSA-N 50305531 CHEMBL595136::Propane-1-sulfonic acid((S)-4-{(R)-1-hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-2-oxo-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-19-yl)-methyl-amide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225248 104159892 CHEMBL595136 ZINC49756998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158241 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C)c3 InChI=1S/C38H51N3O4/c1-37(2,3)30-12-10-13-31(24-30)38(15-5-6-16-38)40-25-35(42)34-22-27-11-9-14-33(21-27)45-18-8-7-17-39-32-20-28(26-44-4)19-29(23-32)36(43)41-34/h9-14,19-21,23-24,34-35,39-40,42H,5-8,15-18,22,25-26H2,1-4H3,(H,41,43)/t34-,35+/m0/s1 PTOMBISXQDZHEZ-OIDHKYIRSA-N 50305528 (S)-4-{(R)-2-[1-(3-tert-Butyl-phenyl)-cyclopentylamino]-1-hydroxy-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595303 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225251 104159889 CHEMBL595303 ZINC49761863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158242 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(C)n4)C(=O)N2)c3)c1 InChI=1S/C31H39N3O4/c1-21(2)25-10-6-9-24(15-25)19-32-20-29(35)28-17-23-8-7-11-27(16-23)37-12-4-5-13-38-30-18-26(31(36)34-28)14-22(3)33-30/h6-11,14-16,18,21,28-29,32,35H,4-5,12-13,17,19-20H2,1-3H3,(H,34,36)/t28-,29+/m0/s1 TVDHOONBSNHWKJ-URLMMPGGSA-N 50305533 (S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-19-methyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL589369 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225154 104159894 CHEMBL589369 ZINC45339113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158243 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cc(cc(c4)C(=O)N2)N2COC=C2)c3)c1 InChI=1S/C34H42N4O4/c1-24(2)27-9-5-8-26(15-27)21-35-22-33(39)32-17-25-7-6-10-31(16-25)42-13-4-3-11-36-29-18-28(34(40)37-32)19-30(20-29)38-12-14-41-23-38/h5-10,12,14-16,18-20,24,32-33,35-36,39H,3-4,11,13,17,21-23H2,1-2H3,(H,37,40)/t32-,33+/m0/s1 AKKRZBQIPILXBF-JHOUSYSJSA-N 50305543 (S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-19-oxazol-3-yl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595065 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225200 104159904 CHEMBL595065 ZINC49757231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158244 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C)c3 InChI=1S/C37H49N3O4/c1-36(2,3)29-11-8-12-30(23-29)37(14-9-15-37)39-24-34(41)33-21-26-10-7-13-32(20-26)44-17-6-5-16-38-31-19-27(25-43-4)18-28(22-31)35(42)40-33/h7-8,10-13,18-20,22-23,33-34,38-39,41H,5-6,9,14-17,21,24-25H2,1-4H3,(H,40,42)/t33-,34+/m0/s1 WTYHKZJTJZAMMO-SZAHLOSFSA-N 50305529 (S)-4-{(R)-2-[1-(3-tert-Butyl-phenyl)-cyclobutylamino]-1-hydroxy-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595246 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225250 104159890 CHEMBL595246 ZINC49761861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158245 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cccc(c4)C(=O)N2)c3)c1 InChI=1S/C31H39N3O3/c1-22(2)25-10-5-9-24(16-25)20-32-21-30(35)29-18-23-8-6-13-28(17-23)37-15-4-3-14-33-27-12-7-11-26(19-27)31(36)34-29/h5-13,16-17,19,22,29-30,32-33,35H,3-4,14-15,18,20-21H2,1-2H3,(H,34,36)/t29-,30+/m0/s1 QMDCLYWXGCPUJX-XZWHSSHBSA-N 50305532 (S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL589368 Beta-secretase 1 Homo sapiens 292 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11533436 104159893 CHEMBL589368 ZINC45338878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158246 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cccc(c1)C(C)C)c3 InChI=1S/C33H43N3O4/c1-23(2)27-10-6-9-25(14-27)20-34-21-32(37)31-18-24-8-7-11-30(17-24)40-13-5-4-12-35-29-16-26(22-39-3)15-28(19-29)33(38)36-31/h6-11,14-17,19,23,31-32,34-35,37H,4-5,12-13,18,20-22H2,1-3H3,(H,36,38)/t31-,32+/m0/s1 QIDWHGYCMKSPBT-AJQTZOPKSA-N 50305535 (S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL591546 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225199 104159896 CHEMBL591546 ZINC49756859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50158247 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(C)n4)C(=O)N2)c3)c1 InChI=1S/C31H39N3O4/c1-21(2)25-10-6-9-24(15-25)19-32-20-29(35)28-17-23-8-7-11-27(16-23)37-12-4-5-13-38-30-18-26(31(36)34-28)14-22(3)33-30/h6-11,14-16,18,21,28-29,32,35H,4-5,12-13,17,19-20H2,1-3H3,(H,34,36)/t28-,29+/m0/s1 TVDHOONBSNHWKJ-URLMMPGGSA-N 50305533 (S)-4-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-19-methyl-11,16-dioxa-3,18-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL589369 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2009.11.092 10.7270/Q2H1324C 19963375 Lerchner, A; Machauer, R; Betschart, C; Veenstra, S; Rueeger, H; McCarthy, C; Tintelnot-Blomley, M; Jaton, AL; Rabe, S; Desrayaud, S; Enz, A; Staufenbiel, M; Paganetti, P; Rondeau, JM; Neumann, U Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46225154 104159894 CHEMBL589369 ZINC45339113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159350 COC(=O)CCc1c(O)cc2occc2c1OCC=C(C)C InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(19)20-3)14(18)10-15-13(17)7-9-21-15/h6-7,9-10,18H,4-5,8H2,1-3H3 HDAYRYBSIZAJHW-UHFFFAOYSA-N 50308720 6,7-Furano-5-prenyloxy hydrocoumaric acid methyl ester::CHEMBL592382 Beta-secretase 1 Homo sapiens 203300 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46229698 104163081 CHEMBL592382 ZINC45337278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159351 COC(=O)CCc1c(O)cc2occc2c1OCC=C(C)C InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(19)20-3)14(18)10-15-13(17)7-9-21-15/h6-7,9-10,18H,4-5,8H2,1-3H3 HDAYRYBSIZAJHW-UHFFFAOYSA-N 50308720 6,7-Furano-5-prenyloxy hydrocoumaric acid methyl ester::CHEMBL592382 Beta-secretase 1 Homo sapiens 11300 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46229698 104163081 CHEMBL592382 ZINC45337278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159352 CC(C)=CCOc1c2occc2cc2ccc(=O)oc12 InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 OLOOJGVNMBJLLR-UHFFFAOYSA-N 50308719 (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one)::CHEMBL453805::Imperatorin Beta-secretase 1 Homo sapiens 30500 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212 104163080 5885 CHEMBL453805 C09269 ZINC00001904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159353 COc1cc2occc2c(OCC=C(C)C)c1CCC(O)=O InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(18)19)14(20-3)10-15-13(17)7-9-21-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19) ASTLBNTZIYCRIB-UHFFFAOYSA-N 50308721 6,7-Furano-8a-methoxy-5-prenyloxy hydrocoumaric acid::CHEMBL589416 Beta-secretase 1 Homo sapiens 203300 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46229699 104163082 CHEMBL589416 ZINC45338663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159354 CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 IGWDEVSBEKYORK-UHFFFAOYSA-N 50242377 CHEMBL448060::isoimperatorin Beta-secretase 1 Homo sapiens 244200 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68081 104099046 66071 CHEMBL448060 C16976 ZINC00296185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159355 COC(=O)CCc1c(OC)cc2occc2c1OCC=C(C)C InChI=1S/C18H22O5/c1-12(2)7-9-23-18-13(5-6-17(19)21-4)15(20-3)11-16-14(18)8-10-22-16/h7-8,10-11H,5-6,9H2,1-4H3 AKPBLEPQPPQCKV-UHFFFAOYSA-N 50308717 6,7-Furano-8a-methoxy-5-prenyloxy hydrocoumaric acid methyl ester::CHEMBL602233 Beta-secretase 1 Homo sapiens 16200 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46200991 104163078 CHEMBL602233 ZINC45370809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50159356 CC(C)=CCOc1c(CCC(O)=O)c(O)cc2occc12 InChI=1S/C16H18O5/c1-10(2)5-7-21-16-11(3-4-15(18)19)13(17)9-14-12(16)6-8-20-14/h5-6,8-9,17H,3-4,7H2,1-2H3,(H,18,19) VWIHQCIOZYEEGK-UHFFFAOYSA-N 50308718 6,7-furano-5-prenyloxy hydrocoumaric acid::CHEMBL589100 Beta-secretase 1 Homo sapiens 185600 ChEMBL 10.1016/j.bmc.2009.10.004 10.7270/Q2K64J6S 19939683 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46229681 104163079 CHEMBL589100 ZINC45337057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160502 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(F)cc1 InChI=1S/C44H52F3N5O8S/c1-26(2)40(44(57)48-23-29-12-14-34(45)15-13-29)51-41(54)27(3)16-39(53)38(25-60-24-30-17-35(46)22-36(47)18-30)50-43(56)33-19-32(20-37(21-33)52(5)61(6,58)59)42(55)49-28(4)31-10-8-7-9-11-31/h7-15,17-22,26-28,38-40,53H,16,23-25H2,1-6H3,(H,48,57)(H,49,55)(H,50,56)(H,51,54)/t27-,28-,38+,39+,40+/m1/s1 PDGSBHJMRKZCMC-VVMBBGICSA-N 50312544 CHEMBL1076910::N-[(1S,2S,4R)-1-(3,5-Difluoro-benzyloxymethyl)-4-(4-fluoro-benzylcarbamoyl)-2-hydroxy-pentyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881101 104146905 CHEMBL1076910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160503 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C44H55N5O8S/c1-29(2)40(44(54)45-26-32-16-10-7-11-17-32)48-41(51)30(3)22-39(50)38(28-57-27-33-18-12-8-13-19-33)47-43(53)36-23-35(24-37(25-36)49(5)58(6,55)56)42(52)46-31(4)34-20-14-9-15-21-34/h7-21,23-25,29-31,38-40,50H,22,26-28H2,1-6H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)/t30-,31-,38+,39+,40+/m1/s1 VNMYCPDLSFADGH-GAKCOCLISA-N 50312537 CHEMBL1076901::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-benzyloxymethyl-2-hydroxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24969880 104146898 CHEMBL1076901 ZINC95549093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160504 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C44H55N5O8S/c1-29(2)40(44(54)45-26-32-16-10-7-11-17-32)48-41(51)30(3)22-39(50)38(28-57-27-33-18-12-8-13-19-33)47-43(53)36-23-35(24-37(25-36)49(5)58(6,55)56)42(52)46-31(4)34-20-14-9-15-21-34/h7-21,23-25,29-31,38-40,50H,22,26-28H2,1-6H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)/t30-,31-,38+,39+,40+/m1/s1 VNMYCPDLSFADGH-GAKCOCLISA-N 50312537 CHEMBL1076901::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-benzyloxymethyl-2-hydroxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens 3.6 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24969880 104146898 CHEMBL1076901 ZINC95549093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160505 CC(C)[C@H](NC(=O)[C@@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O8S/c1-26(2)39(43(55)46-24-29-13-9-7-10-14-29)49-40(52)27(3)17-38(51)37(25-58-36-22-33(44)21-34(45)23-36)48-42(54)32-18-31(19-35(20-32)50(5)59(6,56)57)41(53)47-28(4)30-15-11-8-12-16-30/h7-16,18-23,26-28,37-39,51H,17,24-25H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t27-,28+,37-,38-,39-/m0/s1 YSJJYNYCVZLWDI-DEMBXUMDSA-N 50312540 CHEMBL1076906::N-[(1S,2S,4S)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens 340 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25096707 104146901 CHEMBL1076906 ZINC95535733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160506 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O8S/c1-26(2)39(43(55)46-24-29-13-9-7-10-14-29)49-40(52)27(3)17-38(51)37(25-58-36-22-33(44)21-34(45)23-36)48-42(54)32-18-31(19-35(20-32)50(5)59(6,56)57)41(53)47-28(4)30-15-11-8-12-16-30/h7-16,18-23,26-28,37-39,51H,17,24-25H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t27-,28-,37+,38+,39+/m1/s1 YSJJYNYCVZLWDI-UEYNGWECSA-N 50312539 CHEMBL1076905::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens 3.1 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25096211 104146900 CHEMBL1076905 ZINC95535732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160507 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O8S/c1-26(2)39(43(55)46-24-29-13-9-7-10-14-29)49-40(52)27(3)17-38(51)37(25-58-36-22-33(44)21-34(45)23-36)48-42(54)32-18-31(19-35(20-32)50(5)59(6,56)57)41(53)47-28(4)30-15-11-8-12-16-30/h7-16,18-23,26-28,37-39,51H,17,24-25H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t27-,28-,37+,38+,39+/m1/s1 YSJJYNYCVZLWDI-UEYNGWECSA-N 50312539 CHEMBL1076905::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25096211 104146900 CHEMBL1076905 ZINC95535732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160508 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1 SQCCLROLILAOBD-MLLWAOEYSA-N 50312538 CHEMBL1076902::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide::N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 929 3IXK 45277565 104146899 CHEMBL1076902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160509 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1 SQCCLROLILAOBD-MLLWAOEYSA-N 50312538 CHEMBL1076902::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide::N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide Beta-secretase 1 Homo sapiens 4500 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 929 3IXK 45277565 104146899 CHEMBL1076902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160510 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C41H61F2N5O8S/c1-24(2)34(38(52)44-21-27-13-11-10-12-14-27)47-36(50)26(5)17-33(49)32(23-55-22-28-18-29(42)20-30(43)19-28)46-37(51)31(15-16-57-9)45-39(53)35(25(3)4)48-40(54)56-41(6,7)8/h10-14,18-20,24-26,31-35,49H,15-17,21-23H2,1-9H3,(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,48,54)/t26-,31+,32+,33+,34+,35+/m1/s1 FWIQAIRGJDJIAV-JLYHLUBJSA-N 50312541 ((S)-1-[(S)-1-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxy-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl]-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL1076907 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45277566 104146902 CHEMBL1076907 ZINC95548982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160511 CC(C)[C@H](NC(=O)[C@@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 InChI=1S/C43H51F2N5O8S/c1-26(2)39(43(55)46-24-29-13-9-7-10-14-29)49-40(52)27(3)17-38(51)37(25-58-36-22-33(44)21-34(45)23-36)48-42(54)32-18-31(19-35(20-32)50(5)59(6,56)57)41(53)47-28(4)30-15-11-8-12-16-30/h7-16,18-23,26-28,37-39,51H,17,24-25H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t27-,28+,37-,38-,39-/m0/s1 YSJJYNYCVZLWDI-DEMBXUMDSA-N 50312540 CHEMBL1076906::N-[(1S,2S,4S)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25096707 104146901 CHEMBL1076906 ZINC95535733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160512 C[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 InChI=1S/C35H42F2N4O7S/c1-21(33(43)39-29-10-11-29)12-32(42)31(20-48-19-23-13-27(36)18-28(37)14-23)40-35(45)26-15-25(16-30(17-26)41(3)49(4,46)47)34(44)38-22(2)24-8-6-5-7-9-24/h5-9,13-18,21-22,29,31-32,42H,10-12,19-20H2,1-4H3,(H,38,44)(H,39,43)(H,40,45)/t21-,22-,31+,32+/m1/s1 RXOLOZUDTSFNAU-RSOAUGTRSA-N 50312543 CHEMBL1076909::N-((1S,2S,4R)-1-Benzyloxymethyl-4-cyclopropylcarbamoyl-2-hydroxy-pentyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45277727 104146904 CHEMBL1076909 ZINC49778084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50160513 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O InChI=1S/C37H47F2N5O8S/c1-22(2)33(37(49)41-19-24-10-8-7-9-11-24)43-34(46)23(3)12-32(45)31(21-52-20-25-13-28(38)18-29(39)14-25)42-36(48)27-15-26(35(47)40-4)16-30(17-27)44(5)53(6,50)51/h7-11,13-18,22-23,31-33,45H,12,19-21H2,1-6H3,(H,40,47)(H,41,49)(H,42,48)(H,43,46)/t23-,31+,32+,33+/m1/s1 GVKYDQWBJNYKLF-RFJJDEQASA-N 50312542 CHEMBL1076908::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxy-pentyl]-5-(methanesulfonyl-methyl-amino)-N'-methyl-isophthalamide Beta-secretase 1 Homo sapiens 1260 ChEMBL 10.1016/j.ejmech.2009.11.013 10.7270/Q2ZG6SCV 20036448 Wangsell, F; Gustafsson, K; Kvarnstrom, I; Borkakoti, N; Edlund, M; Jansson, K; Lindberg, J; Hallberg, A; Rosenquist, A; Samuelsson, B Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45277567 104146903 CHEMBL1076908 ZINC95538458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161582 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnc3)cc2)n1 InChI=1S/C27H21ClN4O/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-20-5-3-9-27(29)31-20)19-10-12-21(13-11-19)33-22-6-4-16-30-17-22/h1-17H,18H2,(H2,29,31) BJNBXZWXQWCMNW-UHFFFAOYSA-N 50315012 6-((2-(2-chlorophenyl)-5-(4-(pyridin-3-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1091220 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11719407 104149373 CHEMBL1091220 ZINC34643014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161583 Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34) OBJNEXKJNRYAJJ-UHFFFAOYSA-N 50314993 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)ethanol::CHEMBL1090543 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46884664 104149354 CHEMBL1090543 ZINC43131579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161584 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1 InChI=1S/C26H20ClN3OS/c27-22-7-2-1-6-21(22)24-15-14-23(30(24)17-19-5-3-8-25(28)29-19)18-10-12-20(13-11-18)31-26-9-4-16-32-26/h1-16H,17H2,(H2,28,29) MORNXTSZIUZECM-UHFFFAOYSA-N 50314998 6-((2-(2-chlorophenyl)-5-(4-(thiophen-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1092913 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46884581 104149359 CHEMBL1092913 ZINC49069282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161585 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnn3)cc2)n1 InChI=1S/C26H20ClN5O/c27-22-7-2-1-6-21(22)24-15-14-23(32(24)17-19-5-3-8-25(28)30-19)18-10-12-20(13-11-18)33-26-9-4-16-29-31-26/h1-16H,17H2,(H2,28,30) IHGJFCQIUZBLLX-UHFFFAOYSA-N 50315010 6-((2-(2-chlorophenyl)-5-(4-(pyridazin-3-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1092912 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11691007 104149371 CHEMBL1092912 ZINC38254821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161586 Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1 InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24) YHVWXXWLRGWNEE-UHFFFAOYSA-N 50315007 6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1092879 Beta-secretase 1 Homo sapiens 5200 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11573395 104149368 CHEMBL1092879 ZINC35839500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161587 COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26) YCLYXZNWHAWIQN-UHFFFAOYSA-N 50315006 6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1093152 Beta-secretase 1 Homo sapiens 2450 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11574638 104149367 CHEMBL1093152 ZINC35847430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161588 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1 InChI=1S/C26H20ClN5O/c27-22-6-2-1-5-21(22)24-13-12-23(32(24)17-19-4-3-7-25(28)31-19)18-8-10-20(11-9-18)33-26-16-29-14-15-30-26/h1-16H,17H2,(H2,28,31) SKVOYCWFAMLWLN-UHFFFAOYSA-N 50314999 6-((2-(2-chlorophenyl)-5-(4-(pyrazin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1092000 Beta-secretase 1 Homo sapiens 460 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11705141 104149360 CHEMBL1092000 ZINC49069211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161589 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1 InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31) MNZJYJDKCYJKMU-UHFFFAOYSA-N 50315000 6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine::CHEMBL1091999 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 879 3L38 11561538 104149361 CHEMBL1091999 ZINC35820899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161590 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1 InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26-14-15-27(24-7-4-5-8-25(24)30)33(26)20-22-11-16-28(29(31)32-22)36-19-17-34/h4-5,7-16,34H,2-3,6,17-20H2,1H3,(H2,31,32) PDJLJWDUNPWSBA-UHFFFAOYSA-N 50314996 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-yloxy)ethanol::CHEMBL1093807 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11504350 104149357 CHEMBL1093807 ZINC49070693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161591 CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 InChI=1S/C26H26N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h3-16H,2,17-18H2,1H3,(H2,27,29)(H,28,31) XQBNJCIXEUWCLY-UHFFFAOYSA-N 50315009 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-propylbenzamide::CHEMBL1090146 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11697219 104149370 CHEMBL1090146 ZINC38268517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161592 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1 InChI=1S/C26H21ClN6/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21/h1-15,17,31H,16H2,(H2,28,32) CMRVVFISLQYZNR-UHFFFAOYSA-N 50314997 CHEMBL1093806::N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine Beta-secretase 1 Homo sapiens 980 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11546946 104149358 CHEMBL1093806 ZINC34662244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161593 CCCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 InChI=1S/C27H28N4O/c1-2-3-18-29-27(32)22-14-12-21(13-15-22)25-17-16-24(20-8-5-4-6-9-20)31(25)19-23-10-7-11-26(28)30-23/h4-17H,2-3,18-19H2,1H3,(H2,28,30)(H,29,32) JVCBUYGOEGKVHN-UHFFFAOYSA-N 50315016 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-butylbenzamide::CHEMBL1090147 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11589920 104149377 CHEMBL1090147 ZINC35879284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161594 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33) JUOGTZUVNDFPCE-UHFFFAOYSA-N 50314995 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)ethanol::CHEMBL1089186 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11684817 104149356 CHEMBL1089186 ZINC38246362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161595 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1 InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30) CERJQPWNRISSQS-UHFFFAOYSA-N 50315004 4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenoxy)butanenitrile::4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile::CHEMBL1089137 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 625 3L3A 11719190 104149365 CHEMBL1089137 ZINC34642784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161596 CCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 InChI=1S/C25H24N4O/c1-2-27-25(30)20-13-11-19(12-14-20)23-16-15-22(18-7-4-3-5-8-18)29(23)17-21-9-6-10-24(26)28-21/h3-16H,2,17H2,1H3,(H2,26,28)(H,27,30) NUIFIDDTXFLIIH-UHFFFAOYSA-N 50315017 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-ethylbenzamide::CHEMBL1090145 Beta-secretase 1 Homo sapiens 2250 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11710986 104149378 CHEMBL1090145 ZINC34635784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161597 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CCC2)-c2ccccc2)n1 InChI=1S/C27H26N4O/c28-26-11-5-10-23(29-26)18-31-24(19-6-2-1-3-7-19)16-17-25(31)20-12-14-21(15-13-20)27(32)30-22-8-4-9-22/h1-3,5-7,10-17,22H,4,8-9,18H2,(H2,28,29)(H,30,32) AQRMTQRMYHBJHU-UHFFFAOYSA-N 50315013 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-cyclobutylbenzamide::CHEMBL1093121 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11596983 104149374 CHEMBL1093121 ZINC35901814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161598 CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 InChI=1S/C26H26N4O/c1-18(2)28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)17-22-9-6-10-25(27)29-22/h3-16,18H,17H2,1-2H3,(H2,27,29)(H,28,31) JNLDTSJNIMEHPC-UHFFFAOYSA-N 50315015 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-isopropylbenzamide::CHEMBL1092228 Beta-secretase 1 Homo sapiens 1780 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11517146 104149376 CHEMBL1092228 ZINC49112658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161599 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1 InChI=1S/C26H24N4O/c27-25-8-4-7-22(28-25)17-30-23(18-5-2-1-3-6-18)15-16-24(30)19-9-11-20(12-10-19)26(31)29-21-13-14-21/h1-12,15-16,21H,13-14,17H2,(H2,27,28)(H,29,31) WMHJMUMMYDAGHE-UHFFFAOYSA-N 50315014 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-cyclopropylbenzamide::CHEMBL1093120 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11567707 104149375 CHEMBL1093120 ZINC35826876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161600 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31) LLAHJUDHJREWBP-UHFFFAOYSA-N 50315003 CHEMBL1092227::N-allyl-4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)benzamide Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11596660 104149364 CHEMBL1092227 ZINC35901446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161601 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1 InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31) KFHXWAOFTXCHCN-UHFFFAOYSA-N 50315002 6-((2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1091343 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11532527 104149363 CHEMBL1091343 ZINC49053657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161602 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1 InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34) PBMMEMHFZBWZEJ-UHFFFAOYSA-N 50315008 3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)propan-1-ol::CHEMBL1089204 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11620576 104149369 CHEMBL1089204 ZINC49112114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161603 CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 InChI=1S/C26H26ClN3O/c1-2-3-17-31-21-13-11-19(12-14-21)24-15-16-25(22-8-4-5-9-23(22)27)30(24)18-20-7-6-10-26(28)29-20/h4-16H,2-3,17-18H2,1H3,(H2,28,29) HPSRCEODDNJXQV-UHFFFAOYSA-N 50315018 6-((2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1090119 Beta-secretase 1 Homo sapiens 1650 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11647679 104149379 CHEMBL1090119 ZINC35997901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161604 Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33) BWTCKKGQSUGPNA-UHFFFAOYSA-N 50314994 2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-yloxy)ethanol::CHEMBL1090542 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11642048 104149355 CHEMBL1090542 ZINC35985970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161605 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1 InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31) FMDGWGCVQHGFLG-UHFFFAOYSA-N 50315001 6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1091219 Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11576068 104149362 CHEMBL1091219 ZINC35850035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161606 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30) MFVREGCSTSILCV-UHFFFAOYSA-N 50315005 6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1093450 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11619220 104149366 CHEMBL1093450 ZINC49113667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161607 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 InChI=1S/C25H24ClN3O/c1-2-16-30-20-12-10-18(11-13-20)23-14-15-24(21-7-3-4-8-22(21)26)29(23)17-19-6-5-9-25(27)28-19/h3-15H,2,16-17H2,1H3,(H2,27,28) NWHRLRATRMUBMO-UHFFFAOYSA-N 50315019 6-((2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine::CHEMBL1089788 Beta-secretase 1 Homo sapiens 1150 ChEMBL 10.1016/j.bmcl.2010.02.075 10.7270/Q2PG1RWS 20223661 Malamas, MS; Barnes, K; Hui, Y; Johnson, M; Lovering, F; Condon, J; Fobare, W; Solvibile, W; Turner, J; Hu, Y; Manas, ES; Fan, K; Olland, A; Chopra, R; Bard, J; Pangalos, MN; Reinhart, P; Robichaud, AJ Wyeth http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11676068 104149380 CHEMBL1089788 ZINC38225714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162637 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1 InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H SLWPBUMYPRVYIJ-UHFFFAOYSA-N 50276756 4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]dibenzo[b,e][1,4]dioxine-1,3,6,10,12-pentaol::CHEMBL510508::Phlorofucofuroeckol-A::US10106521, Compound Phlorofucofuroeckol A::phlorofucofuroeckol A Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130976 104119777 CHEMBL510508 ZINC14210013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162638 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Beta-secretase 1 Homo sapiens 10820 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,3LM5,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162639 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1 InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H SLWPBUMYPRVYIJ-UHFFFAOYSA-N 50276756 4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]dibenzo[b,e][1,4]dioxine-1,3,6,10,12-pentaol::CHEMBL510508::Phlorofucofuroeckol-A::US10106521, Compound Phlorofucofuroeckol A::phlorofucofuroeckol A Beta-secretase 1 Homo sapiens 2130 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130976 104119777 CHEMBL510508 ZINC14210013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162640 Oc1cc(O)cc(O)c1 InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H QCDYQQDYXPDABM-UHFFFAOYSA-N 50249069 1,3,5-trihydroxybenzene::CHEMBL473159::benzene-1,3,5-triol::phloroglucinol Beta-secretase 1 Homo sapiens 36470 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249069&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13X 5MG5,6BZA,4HDK,6ZZX 359 104103447 16204 CHEMBL473159 C02183 ZINC00391883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162641 Oc1cc(O)c(Oc2cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc3c2)c(O)c1 InChI=1S/C24H16O12/c25-9-1-10(26)3-12(2-9)34-22-17(31)8-18(32)23-24(22)36-21-16(30)6-13(7-19(21)35-23)33-20-14(28)4-11(27)5-15(20)29/h1-8,25-32H JLEVVQRBEATTCM-UHFFFAOYSA-N 50276826 (1-(3',5'-dihydroxyphenoxy)-7-(2'',4'',6-trihydro-xyphenoxy)-2,4,9-trihydroxydibenzo-1,4-dioxin)::7-Phloroethol::CHEMBL456228 Beta-secretase 1 Homo sapiens 7200 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10480940 104119800 65790 CHEMBL456228 ZINC15149371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162642 Oc1cc(O)c(Oc2cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc3c2)c(O)c1 InChI=1S/C24H16O12/c25-9-1-10(26)3-12(2-9)34-22-17(31)8-18(32)23-24(22)36-21-16(30)6-13(7-19(21)35-23)33-20-14(28)4-11(27)5-15(20)29/h1-8,25-32H JLEVVQRBEATTCM-UHFFFAOYSA-N 50276826 (1-(3',5'-dihydroxyphenoxy)-7-(2'',4'',6-trihydro-xyphenoxy)-2,4,9-trihydroxydibenzo-1,4-dioxin)::7-Phloroethol::CHEMBL456228 Beta-secretase 1 Homo sapiens 8590 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10480940 104119800 65790 CHEMBL456228 ZINC15149371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162643 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1 InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H PCZZRBGISTUIOA-UHFFFAOYSA-N 50259982 CHEMBL471187::US10106521, Compound Eckol::eckol Beta-secretase 1 Homo sapiens 12200 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145937 104109952 65819 CHEMBL471187 ZINC06091359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162644 Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2)c(O)c1 InChI=1S/C18H14O9/c19-8-1-9(20)3-12(2-8)26-18-15(25)6-11(22)7-16(18)27-17-13(23)4-10(21)5-14(17)24/h1-7,19-25H OXFVHFABBAINFL-UHFFFAOYSA-N 50319628 CHEMBL1083394::Triphloroethol A Beta-secretase 1 Homo sapiens 11680 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 21626545 104153989 CHEMBL1083394 ZINC14823561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162645 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1 InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H DRZQFGYIIYNNEC-UHFFFAOYSA-N 50259983 CHEMBL508791::US10106521, Compound Dieckol::dieckol Beta-secretase 1 Homo sapiens 2210 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3008868 104109953 65769 CHEMBL508791 ZINC85493573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162646 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1 InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H DRZQFGYIIYNNEC-UHFFFAOYSA-N 50259983 CHEMBL508791::US10106521, Compound Dieckol::dieckol Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3008868 104109953 65769 CHEMBL508791 ZINC85493573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162647 Oc1cc(O)c2oc3c(oc2c1)c(O)cc1oc2c(O)cc(O)cc2oc31 InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H LBHQACSAGWCMAB-UHFFFAOYSA-N 50319629 5,8,13,14-Tetraoxa-pentaphene-1,3,6,9,11-pentaol::CHEMBL559870::Dioxinodehydroeckol Beta-secretase 1 Homo sapiens 8000 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10429214 104153990 65820 CHEMBL559870 ZINC13376233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162648 Oc1cc(O)c2oc3c(oc2c1)c(O)cc1oc2c(O)cc(O)cc2oc31 InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H LBHQACSAGWCMAB-UHFFFAOYSA-N 50319629 5,8,13,14-Tetraoxa-pentaphene-1,3,6,9,11-pentaol::CHEMBL559870::Dioxinodehydroeckol Beta-secretase 1 Homo sapiens 5350 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10429214 104153990 65820 CHEMBL559870 ZINC13376233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162649 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1 InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H PCZZRBGISTUIOA-UHFFFAOYSA-N 50259982 CHEMBL471187::US10106521, Compound Eckol::eckol Beta-secretase 1 Homo sapiens 13900 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145937 104109952 65819 CHEMBL471187 ZINC06091359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162650 Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2)c(O)c1 InChI=1S/C18H14O9/c19-8-1-9(20)3-12(2-8)26-18-15(25)6-11(22)7-16(18)27-17-13(23)4-10(21)5-14(17)24/h1-7,19-25H OXFVHFABBAINFL-UHFFFAOYSA-N 50319628 CHEMBL1083394::Triphloroethol A Beta-secretase 1 Homo sapiens 12100 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 21626545 104153989 CHEMBL1083394 ZINC14823561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162651 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.bmcl.2010.04.093 10.7270/Q25B02NZ 20462757 Jung, HA; Oh, SH; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,3LM5,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167931 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1 InChI=1S/C23H32F2N4O2/c1-15(30)28-20(9-16-7-18(24)10-19(25)8-16)21(31)12-26-23(5-6-23)17-11-27-29(13-17)14-22(2,3)4/h7-8,10-11,13,20-21,26,31H,5-6,9,12,14H2,1-4H3,(H,28,30)/t20-,21+/m0/s1 VGPRQBUXKLBDJH-LEWJYISDSA-N 50328061 CHEMBL1258002::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-4-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 346 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946886 123107176 CHEMBL1258002 ZINC60326916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167932 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ncc(o1)C(C)(C)C InChI=1S/C22H29F2N3O3/c1-13(28)27-17(9-14-7-15(23)10-16(24)8-14)18(29)11-26-22(5-6-22)20-25-12-19(30-20)21(2,3)4/h7-8,10,12,17-18,26,29H,5-6,9,11H2,1-4H3,(H,27,28)/t17-,18+/m0/s1 KDSLZYKVISFOTP-ZWKOTPCHSA-N 50328057 CHEMBL1257774::N-((2S,3R)-4-(1-(5-tert-butyloxazol-2-yl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945584 123107172 CHEMBL1257774 ZINC60329599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167933 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1csc(CC(C)(C)C)n1 InChI=1S/C23H31F2N3O2S/c1-14(29)27-18(9-15-7-16(24)10-17(25)8-15)19(30)12-26-23(5-6-23)20-13-31-21(28-20)11-22(2,3)4/h7-8,10,13,18-19,26,30H,5-6,9,11-12H2,1-4H3,(H,27,29)/t18-,19+/m0/s1 OVWZHAXEKGLFGE-RBUKOAKNSA-N 50328060 CHEMBL1257894::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(2-neopentylthiazol-4-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 3050 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946837 123107175 CHEMBL1257894 ZINC60326908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167934 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(NS(C)(=O)=O)cc(c1)C(C)(C)C InChI=1S/C29H41F2N3O4S/c1-19(35)33-26(13-20-11-23(30)17-24(31)12-20)27(36)18-32-29(9-7-6-8-10-29)22-14-21(28(2,3)4)15-25(16-22)34-39(5,37)38/h11-12,14-17,26-27,32,34,36H,6-10,13,18H2,1-5H3,(H,33,35)/t26-,27+/m0/s1 FNQGRLXOQONVJG-RRPNLBNLSA-N 50328030 CHEMBL1258001::N-((2S,3R)-4-(1-(3-tert-butyl-5-(methylsulfonamido)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948105 123107145 CHEMBL1258001 ZINC64540797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167935 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cn(CC(C)(C)C)nn1 InChI=1S/C22H31F2N5O2/c1-14(30)26-18(9-15-7-16(23)10-17(24)8-15)19(31)11-25-22(5-6-22)20-12-29(28-27-20)13-21(2,3)4/h7-8,10,12,18-19,25,31H,5-6,9,11,13H2,1-4H3,(H,26,30)/t18-,19+/m0/s1 ZDWBVXDYSLNIIX-RBUKOAKNSA-N 50328063 CHEMBL1258121::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-1,2,3-triazol-4-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947059 123107178 CHEMBL1258121 ZINC60326415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167936 COc1cc(cc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)C(C)(C)C InChI=1S/C29H40F2N2O3/c1-19(34)33-26(13-20-11-23(30)17-24(31)12-20)27(35)18-32-29(9-7-6-8-10-29)22-14-21(28(2,3)4)15-25(16-22)36-5/h11-12,14-17,26-27,32,35H,6-10,13,18H2,1-5H3,(H,33,34)/t26-,27+/m0/s1 TXALSADLOJSTLV-RRPNLBNLSA-N 50328027 CHEMBL1257773::N-((2S,3R)-4-(1-(3-tert-butyl-5-methoxyphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948018 123107142 CHEMBL1257773 ZINC64548572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167937 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(CC(C)(C)C)c[n+]([O-])c1 InChI=1S/C25H33F2N3O3/c1-16(31)29-22(10-17-8-20(26)11-21(27)9-17)23(32)13-28-25(5-6-25)19-7-18(12-24(2,3)4)14-30(33)15-19/h7-9,11,14-15,22-23,28,32H,5-6,10,12-13H2,1-4H3,(H,29,31)/t22-,23+/m0/s1 KZOWDSWZTVEAML-XZOQPEGZSA-N 50328054 3-(1-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)cyclopropyl)-5-neopentylpyridine 1-oxide::CHEMBL1257533 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945011 123107169 CHEMBL1257533 ZINC64541114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167938 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(CC(C)(C)C)cs1 InChI=1S/C23H31F2N3O2S/c1-14(29)27-19(9-15-7-16(24)10-17(25)8-15)20(30)12-26-23(5-6-23)21-28-18(13-31-21)11-22(2,3)4/h7-8,10,13,19-20,26,30H,5-6,9,11-12H2,1-4H3,(H,27,29)/t19-,20+/m0/s1 IVEXILNYIOKCOY-VQTJNVASSA-N 50328059 CHEMBL1257893::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(4-neopentylthiazol-2-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 9360 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949296 123107174 CHEMBL1257893 ZINC60326912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167939 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccn(CC(C)(C)C)n1 InChI=1S/C23H32F2N4O2/c1-15(30)27-19(11-16-9-17(24)12-18(25)10-16)20(31)13-26-23(6-7-23)21-5-8-29(28-21)14-22(2,3)4/h5,8-10,12,19-20,26,31H,6-7,11,13-14H2,1-4H3,(H,27,30)/t19-,20+/m0/s1 QGQLMQKKRGXLTO-VQTJNVASSA-N 50328062 CHEMBL1258003::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-3-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946887 123107177 CHEMBL1258003 ZINC60326920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167940 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(co1)C(C)(C)C InChI=1S/C22H29F2N3O3/c1-13(28)26-17(9-14-7-15(23)10-16(24)8-14)18(29)11-25-22(5-6-22)20-27-19(12-30-20)21(2,3)4/h7-8,10,12,17-18,25,29H,5-6,9,11H2,1-4H3,(H,26,28)/t17-,18+/m0/s1 LHBBXWAJMYDMEG-ZWKOTPCHSA-N 50328058 CHEMBL1257775::N-((2S,3R)-4-(1-(4-tert-butyloxazol-2-yl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 42880 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949259 123107173 CHEMBL1257775 ZINC64548334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167941 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C InChI=1S/C24H31F2N3O2/c1-15(30)29-20(11-16-9-18(25)13-19(26)10-16)21(31)14-28-24(6-7-24)22-12-17(5-8-27-22)23(2,3)4/h5,8-10,12-13,20-21,28,31H,6-7,11,14H2,1-4H3,(H,29,30)/t20-,21+/m0/s1 VMNLOHRLVJTMIX-LEWJYISDSA-N 50328052 CHEMBL1257418::N-((2S,3R)-4-(1-(4-tert-butylpyridin-2-yl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941347 123107167 CHEMBL1257418 ZINC64528364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167942 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(CC(C)(C)C)c1 InChI=1S/C26H34F2N2O2/c1-17(31)30-23(13-19-11-21(27)14-22(28)12-19)24(32)16-29-26(8-9-26)20-7-5-6-18(10-20)15-25(2,3)4/h5-7,10-12,14,23-24,29,32H,8-9,13,15-16H2,1-4H3,(H,30,31)/t23-,24+/m0/s1 HQKMGBJLQVCDTB-BJKOFHAPSA-N 50328051 CHEMBL1257417::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-neopentylphenyl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 341 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941346 123107166 CHEMBL1257417 ZINC64528363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167943 CC(C)c1cc(cs1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C25H34F2N2O2S/c1-16(2)24-12-19(15-32-24)25(7-5-4-6-8-25)28-14-23(31)22(29-17(3)30)11-18-9-20(26)13-21(27)10-18/h9-10,12-13,15-16,22-23,28,31H,4-8,11,14H2,1-3H3,(H,29,30)/t22-,23+/m0/s1 VRNWLEQMSWZOOX-XZOQPEGZSA-N 50328035 CHEMBL1258352::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(5-isopropylthiophen-3-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941431 123107150 CHEMBL1258352 ZINC64549093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167944 CC(C)c1ccc(s1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C25H34F2N2O2S/c1-16(2)23-7-8-24(32-23)25(9-5-4-6-10-25)28-15-22(31)21(29-17(3)30)13-18-11-19(26)14-20(27)12-18/h7-8,11-12,14,16,21-22,28,31H,4-6,9-10,13,15H2,1-3H3,(H,29,30)/t21-,22+/m0/s1 VAKVQVZZOBILEV-FCHUYYIVSA-N 50328034 CHEMBL1258234::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(5-isopropylthiophen-2-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4010 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941360 123107149 CHEMBL1258234 ZINC64548976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167945 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccs1 InChI=1S/C22H28F2N2O2S/c1-15(27)26-19(12-16-10-17(23)13-18(24)11-16)20(28)14-25-22(7-3-2-4-8-22)21-6-5-9-29-21/h5-6,9-11,13,19-20,25,28H,2-4,7-8,12,14H2,1H3,(H,26,27)/t19-,20+/m0/s1 ABTRYYRXKMVKDI-VQTJNVASSA-N 50328033 CHEMBL1258233::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(thiophen-2-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 30000 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947441 123107148 CHEMBL1258233 ZINC64548780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167946 CC(C)c1csc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C25H34F2N2O2S/c1-16(2)19-12-24(32-15-19)25(7-5-4-6-8-25)28-14-23(31)22(29-17(3)30)11-18-9-20(26)13-21(27)10-18/h9-10,12-13,15-16,22-23,28,31H,4-8,11,14H2,1-3H3,(H,29,30)/t22-,23+/m0/s1 OXQSNTNDUWRUOE-XZOQPEGZSA-N 50328036 CHEMBL1258353::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(4-isopropylthiophen-2-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 352 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948732 123107151 CHEMBL1258353 ZINC64549094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167947 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(CC(C)(C)C)cs1 InChI=1S/C24H32F2N2O2S/c1-15(29)28-20(9-16-7-18(25)11-19(26)8-16)21(30)13-27-24(5-6-24)22-10-17(14-31-22)12-23(2,3)4/h7-8,10-11,14,20-21,27,30H,5-6,9,12-13H2,1-4H3,(H,28,29)/t20-,21+/m0/s1 YEGCCSKZPHGALE-LEWJYISDSA-N 50328056 CHEMBL1230648::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(4-neopentylthiophen-2-yl)cyclopropylamino)butan-2-yl)acetamide::N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 957 4I0I,3NSH 46891887 123107171 CHEMBL1230648 ZINC58655658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167948 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(CC(C)(C)C)c1 InChI=1S/C29H40F2N2O2/c1-20(34)33-26(16-22-14-24(30)17-25(31)15-22)27(35)19-32-29(11-6-5-7-12-29)23-10-8-9-21(13-23)18-28(2,3)4/h8-10,13-15,17,26-27,32,35H,5-7,11-12,16,18-19H2,1-4H3,(H,33,34)/t26-,27+/m0/s1 KKVGRVMFGDXUFX-RRPNLBNLSA-N 50328022 CHEMBL1257530::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-neopentylphenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949889 123107137 CHEMBL1257530 ZINC64541110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167949 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(I)cc(c1)C(C)(C)C InChI=1S/C28H37F2IN2O2/c1-18(34)33-25(12-19-10-22(29)16-23(30)11-19)26(35)17-32-28(8-6-5-7-9-28)21-13-20(27(2,3)4)14-24(31)15-21/h10-11,13-16,25-26,32,35H,5-9,12,17H2,1-4H3,(H,33,34)/t25-,26+/m0/s1 KRWAQXXOXZHCRT-IZZNHLLZSA-N 50328025 CHEMBL1257650::N-((2S,3R)-4-(1-(3-tert-butyl-5-iodophenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 223 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947515 123107140 CHEMBL1257650 ZINC64548781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167950 CCc1csc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C24H32F2N2O2S/c1-3-17-12-23(31-15-17)24(7-5-4-6-8-24)27-14-22(30)21(28-16(2)29)11-18-9-19(25)13-20(26)10-18/h9-10,12-13,15,21-22,27,30H,3-8,11,14H2,1-2H3,(H,28,29)/t21-,22+/m0/s1 FCURJCJIDCTWIK-FCHUYYIVSA-N 50328040 CHEMBL1258576::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(4-ethylthiophen-2-yl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1740 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949993 123107155 CHEMBL1258576 ZINC64528377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167951 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(Br)cc(c1)C(C)(C)C InChI=1S/C28H37BrF2N2O2/c1-18(34)33-25(12-19-10-23(30)16-24(31)11-19)26(35)17-32-28(8-6-5-7-9-28)21-13-20(27(2,3)4)14-22(29)15-21/h10-11,13-16,25-26,32,35H,5-9,12,17H2,1-4H3,(H,33,34)/t25-,26+/m0/s1 DERLAZDOEXCWNL-IZZNHLLZSA-N 50328024 CHEMBL1257649::N-((2S,3R)-4-(1-(3-bromo-5-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 174 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948726 123107139 CHEMBL1257649 ZINC64548608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167971 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C InChI=1S/C24H28F2N2O2S/c1-3-17-12-23(31-15-17)24(7-5-4-6-8-24)27-14-22(30)21(28-16(2)29)11-18-9-19(25)13-20(26)10-18/h1,9-10,12-13,15,21-22,27,30H,4-8,11,14H2,2H3,(H,28,29)/t21-,22+/m0/s1 MLGCDGANBFYDKA-FCHUYYIVSA-N 50328039 CHEMBL1258575::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(4-ethynylthiophen-2-yl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4316 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949992 123107154 CHEMBL1258575 ZINC64528376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167972 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccc(Br)c(c1)C(C)(C)C InChI=1S/C28H37BrF2N2O2/c1-18(34)33-25(14-19-12-21(30)16-22(31)13-19)26(35)17-32-28(10-6-5-7-11-28)20-8-9-24(29)23(15-20)27(2,3)4/h8-9,12-13,15-16,25-26,32,35H,5-7,10-11,14,17H2,1-4H3,(H,33,34)/t25-,26+/m0/s1 PTURBKWZTAUMDP-IZZNHLLZSA-N 50328032 CHEMBL1258120::N-((2S,3R)-4-(1-(4-bromo-3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 6900 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947058 123107147 CHEMBL1258120 ZINC64548338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167973 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(C)cc(c1)C(C)(C)C InChI=1S/C29H40F2N2O2/c1-19-11-22(28(3,4)5)16-23(12-19)29(9-7-6-8-10-29)32-18-27(35)26(33-20(2)34)15-21-13-24(30)17-25(31)14-21/h11-14,16-17,26-27,32,35H,6-10,15,18H2,1-5H3,(H,33,34)/t26-,27+/m0/s1 HEICSRXXBMZPII-RRPNLBNLSA-N 50328026 CHEMBL1257772::N-((2S,3R)-4-(1-(3-tert-butyl-5-methylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944038 123107141 CHEMBL1257772 ZINC64548571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167974 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(N)cc(c1)C(C)(C)C InChI=1S/C28H39F2N3O2/c1-18(34)33-25(12-19-10-22(29)16-23(30)11-19)26(35)17-32-28(8-6-5-7-9-28)21-13-20(27(2,3)4)14-24(31)15-21/h10-11,13-16,25-26,32,35H,5-9,12,17,31H2,1-4H3,(H,33,34)/t25-,26+/m0/s1 SPFHLQQJLDPWEY-IZZNHLLZSA-N 50328029 CHEMBL1257892::N-((2S,3R)-4-(1-(3-amino-5-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 318 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946836 123107144 CHEMBL1257892 ZINC64540161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167975 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cncc(CC(C)(C)C)c1 InChI=1S/C25H33F2N3O2/c1-16(31)30-22(10-17-8-20(26)11-21(27)9-17)23(32)15-29-25(5-6-25)19-7-18(13-28-14-19)12-24(2,3)4/h7-9,11,13-14,22-23,29,32H,5-6,10,12,15H2,1-4H3,(H,30,31)/t22-,23+/m0/s1 WETWCOGJYRYKDB-XZOQPEGZSA-N 50328053 CHEMBL1257532::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(5-neopentylpyridin-3-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 780 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948683 123107168 CHEMBL1257532 ZINC60326663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167976 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cc(c1)C(C)(C)C)C(C)=O InChI=1S/C30H40F2N2O3/c1-19(35)22-14-23(29(3,4)5)16-24(15-22)30(9-7-6-8-10-30)33-18-28(37)27(34-20(2)36)13-21-11-25(31)17-26(32)12-21/h11-12,14-17,27-28,33,37H,6-10,13,18H2,1-5H3,(H,34,36)/t27-,28+/m0/s1 WSTPAMKJZDFYIN-WUFINQPMSA-N 50328031 CHEMBL1258119::N-((2S,3R)-4-(1-(3-acetyl-5-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945841 123107146 CHEMBL1258119 ZINC64548337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167977 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(F)cc(c1)C(C)(C)C InChI=1S/C28H37F3N2O2/c1-18(34)33-25(12-19-10-22(29)16-23(30)11-19)26(35)17-32-28(8-6-5-7-9-28)21-13-20(27(2,3)4)14-24(31)15-21/h10-11,13-16,25-26,32,35H,5-9,12,17H2,1-4H3,(H,33,34)/t25-,26+/m0/s1 LLVCNLGAWVMGGI-IZZNHLLZSA-N 50328023 CHEMBL1257531::N-((2S,3R)-4-(1-(3-tert-butyl-5-fluorophenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948682 123107138 CHEMBL1257531 ZINC64541112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167978 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(O)cc(c1)C(C)(C)C InChI=1S/C28H38F2N2O3/c1-18(33)32-25(12-19-10-22(29)16-23(30)11-19)26(35)17-31-28(8-6-5-7-9-28)21-13-20(27(2,3)4)14-24(34)15-21/h10-11,13-16,25-26,31,34-35H,5-9,12,17H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 ACFCAAGMGYDSTG-IZZNHLLZSA-N 50328028 CHEMBL1257891::N-((2S,3R)-4-(1-(3-tert-butyl-5-hydroxyphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949295 123107143 CHEMBL1257891 ZINC64540317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167979 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccc(CC(C)(C)C)s1 InChI=1S/C24H32F2N2O2S/c1-15(29)28-20(11-16-9-17(25)12-18(26)10-16)21(30)14-27-24(7-8-24)22-6-5-19(31-22)13-23(2,3)4/h5-6,9-10,12,20-21,27,30H,7-8,11,13-14H2,1-4H3,(H,28,29)/t20-,21+/m0/s1 CZKXEGXIEYHWJE-LEWJYISDSA-N 50328055 CHEMBL1257651::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(5-neopentylthiophen-2-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1620 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948727 123107170 CHEMBL1257651 ZINC60327403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167980 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(c1)C(C)(C)C InChI=1S/C25H36F2N4O2/c1-17(32)30-22(12-18-10-20(26)13-21(27)11-18)23(33)15-28-25(8-6-5-7-9-25)19-14-29-31(16-19)24(2,3)4/h10-11,13-14,16,22-23,28,33H,5-9,12,15H2,1-4H3,(H,30,32)/t22-,23+/m0/s1 OBJVREMEVBLLGW-XZOQPEGZSA-N 50328045 CHEMBL1258917::N-((2S,3R)-4-(1-(1-tert-butyl-1H-pyrazol-4-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1840 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945191 123107160 CHEMBL1258917 ZINC64549548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167981 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1 InChI=1S/C26H38F2N4O2/c1-18(33)31-23(12-19-10-21(27)13-22(28)11-19)24(34)15-29-26(8-6-5-7-9-26)20-14-30-32(16-20)17-25(2,3)4/h10-11,13-14,16,23-24,29,34H,5-9,12,15,17H2,1-4H3,(H,31,33)/t23-,24+/m0/s1 SCTUBQYFUYWOPR-BJKOFHAPSA-N 50328046 CHEMBL1258918::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-4-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944049 123107161 CHEMBL1258918 ZINC64548825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167982 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1nc(co1)C(C)(C)C InChI=1S/C25H35F2N3O3/c1-16(31)29-20(12-17-10-18(26)13-19(27)11-17)21(32)14-28-25(8-6-5-7-9-25)23-30-22(15-33-23)24(2,3)4/h10-11,13,15,20-21,28,32H,5-9,12,14H2,1-4H3,(H,29,31)/t20-,21+/m0/s1 UKJHEEXOWGVLDU-LEWJYISDSA-N 50328044 CHEMBL1258803::N-((2S,3R)-4-(1-(4-tert-butyloxazol-2-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 137800 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942779 123107159 CHEMBL1258803 ZINC64539965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167983 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ncc(o1)C(C)(C)C InChI=1S/C25H35F2N3O3/c1-16(31)30-20(12-17-10-18(26)13-19(27)11-17)21(32)14-29-25(8-6-5-7-9-25)23-28-15-22(33-23)24(2,3)4/h10-11,13,15,20-21,29,32H,5-9,12,14H2,1-4H3,(H,30,31)/t20-,21+/m0/s1 GRQMATBKELVAAS-LEWJYISDSA-N 50328043 CHEMBL1258802::N-((2S,3R)-4-(1-(5-tert-butyloxazol-2-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1580 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943965 123107158 CHEMBL1258802 ZINC64539964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167984 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 RJXIEHBFRZLGTH-IZZNHLLZSA-N 50302841 CHEMBL571860::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1LI 3IVH 11754571 104157202 CHEMBL571860 ZINC36413296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167985 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C30H41F2N5O2/c1-19(38)34-26(12-20-10-24(31)13-25(32)11-20)27(39)17-33-30(5-3-2-4-6-30)28-18-37(36-35-28)29-14-21-7-22(15-29)9-23(8-21)16-29/h10-11,13,18,21-23,26-27,33,39H,2-9,12,14-17H2,1H3,(H,34,38)/t21?,22?,23?,26-,27+,29?/m0/s1 PLFRHQJOEZNBAR-OUXIBTGWSA-N 50328048 CHEMBL1257185 Beta-secretase 1 Homo sapiens 392 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944893 123107163 CHEMBL1257185 ZINC64528154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167986 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(C[Si](C)(C)C)nn1 InChI=1S/C24H37F2N5O2Si/c1-17(32)28-21(12-18-10-19(25)13-20(26)11-18)22(33)14-27-24(8-6-5-7-9-24)23-15-31(30-29-23)16-34(2,3)4/h10-11,13,15,21-22,27,33H,5-9,12,14,16H2,1-4H3,(H,28,32)/t21-,22+/m0/s1 ZMXVFQQEYSIUTL-FCHUYYIVSA-N 50328047 CHEMBL1257184::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-((trimethylsilyl)methyl)-1H-1,2,3-triazol-4-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 154 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52947347 123107162 CHEMBL1257184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167987 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccccc1 InChI=1S/C24H30F2N2O2/c1-17(29)28-22(14-18-12-20(25)15-21(26)13-18)23(30)16-27-24(10-6-3-7-11-24)19-8-4-2-5-9-19/h2,4-5,8-9,12-13,15,22-23,27,30H,3,6-7,10-11,14,16H2,1H3,(H,28,29)/t22-,23+/m0/s1 UMUHOBWIAFTTAO-XZOQPEGZSA-N 50323513 CHEMBL1208803::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-phenylcyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862830 117644834 CHEMBL1208803 ZINC58487423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167988 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)cs1 InChI=1S/C27H38F2N2O2S/c1-18(32)31-23(12-19-10-21(28)14-22(29)11-19)24(33)16-30-27(8-6-5-7-9-27)25-13-20(17-34-25)15-26(2,3)4/h10-11,13-14,17,23-24,30,33H,5-9,12,15-16H2,1-4H3,(H,31,32)/t23-,24+/m0/s1 BCXQPMIEEJGADO-BJKOFHAPSA-N 50328038 CHEMBL1258467::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(4-neopentylthiophen-2-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 131 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52941475 123107153 CHEMBL1258467 ZINC64548416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167989 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C(C)(C)C InChI=1S/C26H36F2N2O2S/c1-17(31)30-22(12-18-10-20(27)14-21(28)11-18)23(32)15-29-26(8-6-5-7-9-26)24-13-19(16-33-24)25(2,3)4/h10-11,13-14,16,22-23,29,32H,5-9,12,15H2,1-4H3,(H,30,31)/t22-,23+/m0/s1 HPRGPIBWFPUGCR-XZOQPEGZSA-N 50328037 CHEMBL1258466::N-((2S,3R)-4-(1-(4-tert-butylthiophen-2-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 104 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942712 123107152 CHEMBL1258466 ZINC64548415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167990 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C InChI=1S/C25H32F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(8-9-25)19-7-5-6-18(13-19)24(2,3)4/h5-7,10-11,13-14,22-23,28,31H,8-9,12,15H2,1-4H3,(H,29,30)/t22-,23+/m0/s1 PJNDAZQEJOLDIW-XZOQPEGZSA-N 50328050 CHEMBL1257303::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942524 123107165 CHEMBL1257303 ZINC60327399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167991 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)no1 InChI=1S/C26H37F2N3O3/c1-17(32)30-22(12-18-10-19(27)13-20(28)11-18)23(33)16-29-26(8-6-5-7-9-26)24-14-21(31-34-24)15-25(2,3)4/h10-11,13-14,22-23,29,33H,5-9,12,15-16H2,1-4H3,(H,30,32)/t22-,23+/m0/s1 DDSJVMZLEUXJNA-XZOQPEGZSA-N 50328042 CHEMBL1258687::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-neopentylisoxazol-5-yl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 139 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49800161 123107157 CHEMBL1258687 ZINC64538976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167992 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C InChI=1S/C26H36F2N4O2/c1-17(33)32-21(12-18-10-19(27)13-20(28)11-18)22(34)15-31-26(8-6-5-7-9-26)24-14-23(25(2,3)4)29-16-30-24/h10-11,13-14,16,21-22,31,34H,5-9,12,15H2,1-4H3,(H,32,33)/t21-,22+/m0/s1 VVWGMEIQTOBDML-FCHUYYIVSA-N 50328049 CHEMBL1257302::N-((2S,3R)-4-(1-(6-tert-butylpyrimidin-4-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 2430 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52950166 123107164 CHEMBL1257302 ZINC64539581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50167993 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(no1)C(C)(C)C InChI=1S/C25H35F2N3O3/c1-16(31)29-20(12-17-10-18(26)13-19(27)11-17)21(32)15-28-25(8-6-5-7-9-25)23-14-22(30-33-23)24(2,3)4/h10-11,13-14,20-21,28,32H,5-9,12,15H2,1-4H3,(H,29,31)/t20-,21+/m0/s1 PQUNMNGRCLHJOJ-LEWJYISDSA-N 50328041 CHEMBL1258686::N-((2S,3R)-4-(1-(3-tert-butylisoxazol-5-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4457 ChEMBL 10.1016/j.bmcl.2010.08.070 10.7270/Q2XK8FSK 20822903 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943931 123107156 CHEMBL1258686 ZINC64539799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164875 CC[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H20ClFN4O/c1-2-15(10-18(26)23-11-12-4-3-5-14(21)8-12)25-17-7-6-13(20)9-16(17)24-19(25)22/h3-9,15H,2,10-11H2,1H3,(H2,22,24)(H,23,26)/t15-/m0/s1 FBEBIFSHWMWIBE-HNNXBMFYSA-N 50324928 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3-fluorobenzyl)pentanamide::CHEMBL1221421 Beta-secretase 1 Homo sapiens 340000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864725 117646249 CHEMBL1221421 ZINC58583188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164876 CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C17H25ClN4O/c1-10(2)7-13(9-16(23)20-11(3)4)22-15-6-5-12(18)8-14(15)21-17(22)19/h5-6,8,10-11,13H,7,9H2,1-4H3,(H2,19,21)(H,20,23)/t13-/m0/s1 MQBQMYOSDZAGET-ZDUSSCGKSA-N 50324917 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-isopropyl-5-methylhexanamide::CHEMBL1222235 Beta-secretase 1 Homo sapiens 246000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864667 117646238 CHEMBL1222235 ZINC58582854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164877 CC[C@@H](CC(=O)NCc1ccc(F)cc1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H20ClFN4O/c1-2-15(10-18(26)23-11-12-3-6-14(21)7-4-12)25-17-8-5-13(20)9-16(17)24-19(25)22/h3-9,15H,2,10-11H2,1H3,(H2,22,24)(H,23,26)/t15-/m0/s1 VMDUYCCEHALVOS-HNNXBMFYSA-N 50324929 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(4-fluorobenzyl)pentanamide::CHEMBL1222365 Beta-secretase 1 Homo sapiens 264000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864726 117646250 CHEMBL1222365 ZINC58576075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164878 CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C20H29ClN4O4/c1-6-13(25-16-8-7-12(21)9-14(16)24-19(25)22)10-17(26)23-15(18(27)28-5)11-29-20(2,3)4/h7-9,13,15H,6,10-11H2,1-5H3,(H2,22,24)(H,23,26)/t13-,15-/m0/s1 WVWFCXDGQLAMMO-ZFWWWQNUSA-N 50324930 (S)-methyl 2-((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)pentanamido)-3-tert-butoxypropanoate::CHEMBL1222366 Beta-secretase 1 Homo sapiens 168000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864727 117646251 CHEMBL1222366 ZINC58592010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164879 CC[C@@H](CC(=O)N[C@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C20H29ClN4O4/c1-6-13(25-16-8-7-12(21)9-14(16)24-19(25)22)10-17(26)23-15(18(27)28-5)11-29-20(2,3)4/h7-9,13,15H,6,10-11H2,1-5H3,(H2,22,24)(H,23,26)/t13-,15+/m0/s1 WVWFCXDGQLAMMO-DZGCQCFKSA-N 50324931 (R)-methyl 2-((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)pentanamido)-3-tert-butoxypropanoate::CHEMBL1222367 Beta-secretase 1 Homo sapiens 75000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864728 117646252 CHEMBL1222367 ZINC58581664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164880 CC(C)C[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C20H24ClN5O/c1-13(2)9-16(11-19(27)24-12-15-5-3-4-8-23-15)26-18-7-6-14(21)10-17(18)25-20(26)22/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,22,25)(H,24,27)/t16-/m0/s1 DCUNLWYJVWFCQQ-INIZCTEOSA-N 50324933 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide::CHEMBL1221453 Beta-secretase 1 Homo sapiens 235000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864293 117646254 CHEMBL1221453 ZINC58575546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164881 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccc1 InChI=1S/C18H19ClN4O/c19-14-8-9-16-15(11-14)22-18(20)23(16)10-4-7-17(24)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,20,22)(H,21,24) QRGJGKVRTAHIBM-UHFFFAOYSA-N 50324902 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-benzylbutanamide::CHEMBL1221976 Beta-secretase 1 Homo sapiens 1403000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864505 117646223 CHEMBL1221976 ZINC58582824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164882 CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(O)=O)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H27ClN4O4/c1-5-12(24-15-7-6-11(20)8-13(15)23-18(24)21)9-16(25)22-14(17(26)27)10-28-19(2,3)4/h6-8,12,14H,5,9-10H2,1-4H3,(H2,21,23)(H,22,25)(H,26,27)/t12-,14-/m0/s1 BFRFRPJXSNPOCU-JSGCOSHPSA-N 50324932 (S)-2-((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)pentanamido)-3-tert-butoxypropanoic acid::CHEMBL1222368 Beta-secretase 1 Homo sapiens 87000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864729 117646253 CHEMBL1222368 ZINC58651301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164883 CN(C1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12 InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21) UIWHCBCBZBYNDS-UHFFFAOYSA-N 50324903 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide::4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-cyclohexyl-N-methylbutanamide::CHEMBL1221977 Beta-secretase 1 Homo sapiens 26000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV4 3MSK 46238535 117646224 CHEMBL1221977 ZINC58592072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164884 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccn1 InChI=1S/C17H18ClN5O/c18-12-6-7-15-14(10-12)22-17(19)23(15)9-3-5-16(24)21-11-13-4-1-2-8-20-13/h1-2,4,6-8,10H,3,5,9,11H2,(H2,19,22)(H,21,24) XDDCAOMGFLTNDR-UHFFFAOYSA-N 50324907 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide::CHEMBL1222030 Beta-secretase 1 Homo sapiens 426000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864532 117646228 CHEMBL1222030 ZINC58576630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164885 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CCCCC1 InChI=1S/C18H25ClN4O/c19-14-8-9-16-15(11-14)22-18(20)23(16)10-4-7-17(24)21-12-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,12H2,(H2,20,22)(H,21,24) JHBRHRSPHWUPGK-UHFFFAOYSA-N 50324908 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)butanamide::CHEMBL1222031 Beta-secretase 1 Homo sapiens 83000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864533 117646229 CHEMBL1222031 ZINC58590484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164886 CN1CCC(CC1)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12 InChI=1S/C17H24ClN5O/c1-22-9-6-13(7-10-22)20-16(24)3-2-8-23-15-5-4-12(18)11-14(15)21-17(23)19/h4-5,11,13H,2-3,6-10H2,1H3,(H2,19,21)(H,20,24) WCPKOJUODFAWNB-UHFFFAOYSA-N 50324909 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(1-methylpiperidin-4-yl)butanamide::CHEMBL1222032 Beta-secretase 1 Homo sapiens 325000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864534 117646230 CHEMBL1222032 ZINC58590641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164887 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1cccc(F)c1 InChI=1S/C18H18ClFN4O/c19-13-6-7-16-15(10-13)23-18(21)24(16)8-2-5-17(25)22-11-12-3-1-4-14(20)9-12/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,21,23)(H,22,25) BCDSIEWCDJJLIO-UHFFFAOYSA-N 50324910 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3-fluorobenzyl)butanamide::CHEMBL1222033 Beta-secretase 1 Homo sapiens 249000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864535 117646231 CHEMBL1222033 ZINC58580881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164891 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CC1 InChI=1S/C15H19ClN4O/c16-11-5-6-13-12(8-11)19-15(17)20(13)7-1-2-14(21)18-9-10-3-4-10/h5-6,8,10H,1-4,7,9H2,(H2,17,19)(H,18,21) AHNGNPKUTAWEGW-UHFFFAOYSA-N 50324911 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclopropylmethyl)butanamide::CHEMBL1222034 Beta-secretase 1 Homo sapiens 2854000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864536 117646232 CHEMBL1222034 ZINC58581959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164892 Nc1nc2ccc(Cl)cc2[nH]1 InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11) PDOCNPCPPLPXRV-UHFFFAOYSA-N 31794 2-aminobenzimidazole deriv., 4::5-Chloro-1H-benzoimidazol-2-ylamine::5-chloro-1H-benzo[d]imidazol-2-amine::6-chloro-1H-benzimidazol-2-amine::6-chloro-1H-benzo[d]imidazol-2-amine::CHEMBL269158 Beta-secretase 1 Homo sapiens 731000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VGD 2WD7,3KR1 21527 85240420 CHEMBL269158 ZINC05425419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164893 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CCNC1 InChI=1S/C17H24ClN5O/c18-13-3-4-15-14(10-13)22-17(19)23(15)9-1-2-16(24)21-8-6-12-5-7-20-11-12/h3-4,10,12,20H,1-2,5-9,11H2,(H2,19,22)(H,21,24) SVYBIOOQQZRSEQ-UHFFFAOYSA-N 50324906 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2-(pyrrolidin-3-yl)ethyl)butanamide::CHEMBL1222029 Beta-secretase 1 Homo sapiens 444000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864531 117646227 CHEMBL1222029 ZINC62224943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164896 CC[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C18H20ClN5O/c1-2-14(10-17(25)22-11-13-5-3-4-8-21-13)24-16-7-6-12(19)9-15(16)23-18(24)20/h3-9,14H,2,10-11H2,1H3,(H2,20,23)(H,22,25)/t14-/m0/s1 VNUVPFZMZYGABL-AWEZNQCLSA-N 50324925 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(pyridin-2-ylmethyl)pentanamide::CHEMBL1222299 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864693 117646246 CHEMBL1222299 ZINC58583443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164899 CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,12-15,17,21H,2,5-9,11H2,1H3,(H2,24,25)(H,26,28)/t12?,13?,14?,15?,17-,21?/m0/s1 KMAKOMVKNWTGPE-AKUVNNTDSA-N 50324926 (S)-3-(2-Amino-5-chloro-benzoimidazol-1-yl)-pentanoic acid adamantan-2-ylamide::CHEMBL1222300 Beta-secretase 1 Homo sapiens 8900 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV6 3S2O 49864694 117646247 CHEMBL1222300 ZINC58583445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164907 CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C18H27ClN4O/c1-5-13(11-16(24)21-9-8-18(2,3)4)23-15-7-6-12(19)10-14(15)22-17(23)20/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,20,22)(H,21,24)/t13-/m0/s1 ZOKNKPRORGNRMQ-ZDUSSCGKSA-N 50324927 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3,3-dimethylbutyl)pentanamide::CHEMBL1222301 Beta-secretase 1 Homo sapiens 95000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864695 117646248 CHEMBL1222301 ZINC58581656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164910 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 JKQCQYBXDQPJNC-LJAQVGFWSA-N 17786 (4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide::2-aminoquinazoline, 3a Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3MR 2Q15 16741239 46517940 ZINC10339556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164914 COn1c(nc2ncccc12)-c1ccccc1 InChI=1S/C13H11N3O/c1-17-16-11-8-5-9-14-12(11)15-13(16)10-6-3-2-4-7-10/h2-9H,1H3 AVZBIBUNRUCCQS-UHFFFAOYSA-N 50324897 1-methoxy-2-phenyl-1H-imidazo[4,5-b]pyridine::CHEMBL1221921 Beta-secretase 1 Homo sapiens 928000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1483116 117646218 CHEMBL1221921 ZINC01396600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164915 CN(Cc1cccc(F)c1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H20ClFN4O/c1-24(12-13-4-2-5-15(21)10-13)18(26)6-3-9-25-17-8-7-14(20)11-16(17)23-19(25)22/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H2,22,23) UOKIRMWENSTYCK-UHFFFAOYSA-N 50324912 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3-fluorobenzyl)-N-methylbutanamide::CHEMBL1222139 Beta-secretase 1 Homo sapiens 194000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864603 117646233 CHEMBL1222139 ZINC58591777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164917 CC[C@@H](CC(=O)NCCN1CCOCC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C18H26ClN5O2/c1-2-14(12-17(25)21-5-6-23-7-9-26-10-8-23)24-16-4-3-13(19)11-15(16)22-18(24)20/h3-4,11,14H,2,5-10,12H2,1H3,(H2,20,22)(H,21,25)/t14-/m0/s1 MVZZFHRIHUFSMI-AWEZNQCLSA-N 50324919 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2-morpholinoethyl)pentanamide::CHEMBL1222237 Beta-secretase 1 Homo sapiens 440000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864669 117646240 CHEMBL1222237 ZINC58649919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164922 Nc1nc2cc(Cl)ccc2n1CCCO InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13) NSMVCZCLMLZSOB-UHFFFAOYSA-N 50324898 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol::3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)propan-1-ol::CHEMBL1221922 Beta-secretase 1 Homo sapiens 770000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV3 3MSJ 2950966 117646219 CHEMBL1221922 ZINC04709834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164923 CN(CC1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H27ClN4O/c1-23(13-14-6-3-2-4-7-14)18(25)8-5-11-24-17-10-9-15(20)12-16(17)22-19(24)21/h9-10,12,14H,2-8,11,13H2,1H3,(H2,21,22) KDDUNAHVUVLPJZ-UHFFFAOYSA-N 50324913 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)-N-methylbutanamide::CHEMBL1222140 Beta-secretase 1 Homo sapiens 59000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864604 117646234 CHEMBL1222140 ZINC58603556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157415 COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27) OHTIBTGUVJBMTO-UHFFFAOYSA-N 50303736 5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-4,5-dihydro-1H-imidazol-4-yl)-2-methoxybenzonitrile::CHEMBL568114 Beta-secretase 1 Homo sapiens 4500 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11639859 104158097 CHEMBL568114 ZINC35983589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157416 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157417 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29) JFVCKHOQNLFVNL-UHFFFAOYSA-N 50303757 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567258 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488111 104158118 CHEMBL567258 ZINC45246010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157418 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 RNJTYVPMRSKRKE-HXUWFJFHSA-N 50303731 (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one::(R)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL568115 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 569 3INH 11539562 104158092 CHEMBL568115 ZINC34631070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157419 COc1ncccc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H19F3N4O3/c1-30-20(31)22(29-21(30)27,15-8-10-17(11-9-15)33-23(24,25)26)16-6-3-5-14(13-16)18-7-4-12-28-19(18)32-2/h3-13H,1-2H3,(H2,27,29) KERCJRSYQSWRIP-UHFFFAOYSA-N 50303735 2-amino-4-(3-(2-methoxypyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567259 Beta-secretase 1 Homo sapiens 2570 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488112 104158096 CHEMBL567259 ZINC45252937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157420 COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27) OHTIBTGUVJBMTO-UHFFFAOYSA-N 50303736 5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-4,5-dihydro-1H-imidazol-4-yl)-2-methoxybenzonitrile::CHEMBL568114 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11639859 104158097 CHEMBL568114 ZINC35983589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164924 CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C16H21ClN4O/c1-2-12(8-15(22)19-9-10-3-4-10)21-14-6-5-11(17)7-13(14)20-16(21)18/h5-7,10,12H,2-4,8-9H2,1H3,(H2,18,20)(H,19,22)/t12-/m0/s1 PYEQKSCLPQJZJX-LBPRGKRZSA-N 50324920 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclopropylmethyl)pentanamide::CHEMBL1222238 Beta-secretase 1 Homo sapiens 243000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864670 117646241 CHEMBL1222238 ZINC58581155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164928 CC(C)C[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C21H24ClFN4O/c1-13(2)8-17(11-20(28)25-12-14-4-3-5-16(23)9-14)27-19-7-6-15(22)10-18(19)26-21(27)24/h3-7,9-10,13,17H,8,11-12H2,1-2H3,(H2,24,26)(H,25,28)/t17-/m0/s1 FFCRZVXHFYDIEM-KRWDZBQOSA-N 50324934 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3-fluorobenzyl)-5-methylhexanamide::CHEMBL1221454 Beta-secretase 1 Homo sapiens 54000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864294 117646255 CHEMBL1221454 ZINC58582998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164930 Clc1cccc(c1)-c1cnc2ncccn12 InChI=1S/C12H8ClN3/c13-10-4-1-3-9(7-10)11-8-15-12-14-5-2-6-16(11)12/h1-8H DDMDGWLZYYJYNR-UHFFFAOYSA-N 50324899 3-(3-chlorophenyl)imidazo[1,2-a]pyrimidine::CHEMBL1221923 Beta-secretase 1 Homo sapiens 862000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11413566 117646220 CHEMBL1221923 ZINC34544485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164932 CC[C@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H21ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h3-10,15H,2,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m1/s1 YTYLSGGBDMTGBB-OAHLLOKOSA-N 50324914 (R)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-benzylpentanamide::CHEMBL1222141 Beta-secretase 1 Homo sapiens 516000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864605 117646235 CHEMBL1222141 ZINC58582707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164935 CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C18H26ClN5O/c1-2-14(10-17(25)22-8-6-12-5-7-21-11-12)24-16-4-3-13(19)9-15(16)23-18(24)20/h3-4,9,12,14,21H,2,5-8,10-11H2,1H3,(H2,20,23)(H,22,25)/t12?,14-/m0/s1 SHGRFCHQDXOVIT-PYMCNQPYSA-N 50324921 (3S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2-(pyrrolidin-3-yl)ethyl)pentanamide::CHEMBL1222239 Beta-secretase 1 Homo sapiens 270000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864671 117646242 CHEMBL1222239 ZINC62224949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164936 c1nc2ncccn2c1-c1ccncc1 InChI=1S/C11H8N4/c1-4-13-11-14-8-10(15(11)7-1)9-2-5-12-6-3-9/h1-8H GUXIYQWCRMHBNY-UHFFFAOYSA-N 50324900 3-(pyridin-4-yl)imidazo[1,2-a]pyrimidine::CHEMBL1221924 Beta-secretase 1 Homo sapiens 1008000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864484 117646221 CHEMBL1221924 ZINC42827385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164938 CC(C)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12 InChI=1S/C14H19ClN4O/c1-9(2)17-13(20)4-3-7-19-12-6-5-10(15)8-11(12)18-14(19)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,18)(H,17,20) DODYWTFDGHLEGL-UHFFFAOYSA-N 50324904 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-isopropylbutanamide::CHEMBL1221978 Beta-secretase 1 Homo sapiens 193000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864506 117646225 CHEMBL1221978 ZINC58582569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164941 CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H21ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h3-10,15H,2,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 YTYLSGGBDMTGBB-HNNXBMFYSA-N 50324915 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-benzylpentanamide::CHEMBL1222142 Beta-secretase 1 Homo sapiens 72000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864606 117646236 CHEMBL1222142 ZINC58582708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164943 CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 UKACQFCXAAAWAE-HNNXBMFYSA-N 50324922 (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide::(S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)pentanamide::CHEMBL1222240 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV5 3MSL 46238536 117646243 CHEMBL1222240 ZINC58583410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164945 OC1(O)C(=O)c2ccccc2C1=O InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H FEMOMIGRRWSMCU-UHFFFAOYSA-N 50324901 2,2-dihydroxy-1H-indene-1,3(2H)-dione::CHEMBL1221925 Beta-secretase 1 Homo sapiens 776000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10236 117646222 CHEMBL1221925 ZINC00388306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164947 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCN1CCOCC1 InChI=1S/C17H24ClN5O2/c18-13-3-4-15-14(12-13)21-17(19)23(15)6-1-2-16(24)20-5-7-22-8-10-25-11-9-22/h3-4,12H,1-2,5-11H2,(H2,19,21)(H,20,24) CGADGHRMHMGTCV-UHFFFAOYSA-N 50324905 4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2-morpholinoethyl)butanamide::CHEMBL1221979 Beta-secretase 1 Homo sapiens 827000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864507 117646226 CHEMBL1221979 ZINC58592877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164958 CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C17H25ClN4O/c1-10(2)7-13(9-16(23)20-11(3)4)22-15-6-5-12(18)8-14(15)21-17(22)19/h5-6,8,10-11,13H,7,9H2,1-4H3,(H2,19,21)(H,20,23)/t13-/m1/s1 MQBQMYOSDZAGET-CYBMUJFWSA-N 50324916 (R)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-isopropyl-5-methylhexanamide::CHEMBL1222143 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864607 117646237 CHEMBL1222143 ZINC58583260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164959 CC[C@@H](CC(=O)N(C)CC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C20H29ClN4O/c1-3-16(12-19(26)24(2)13-14-7-5-4-6-8-14)25-18-10-9-15(21)11-17(18)23-20(25)22/h9-11,14,16H,3-8,12-13H2,1-2H3,(H2,22,23)/t16-/m0/s1 UOWJPDUWIBBAPQ-INIZCTEOSA-N 50324923 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)-N-methylpentanamide::CHEMBL1222297 Beta-secretase 1 Homo sapiens 375000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864691 117646244 CHEMBL1222297 ZINC58583409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164961 CC[C@@H](CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C18H25ClN4O2/c1-2-14(10-17(24)21-11-12-5-7-25-8-6-12)23-16-4-3-13(19)9-15(16)22-18(23)20/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H2,20,22)(H,21,24)/t14-/m0/s1 MGDIYBDWQLFUQN-AWEZNQCLSA-N 50324924 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)pentanamide::CHEMBL1222298 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864692 117646245 CHEMBL1222298 ZINC58583441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164962 CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1 UKACQFCXAAAWAE-HNNXBMFYSA-N 50324922 (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide::(S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)pentanamide::CHEMBL1222240 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV5 3MSL 46238536 117646243 CHEMBL1222240 ZINC58583410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50164963 CC[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 InChI=1S/C15H21ClN4O/c1-4-11(8-14(21)18-9(2)3)20-13-6-5-10(16)7-12(13)19-15(20)17/h5-7,9,11H,4,8H2,1-3H3,(H2,17,19)(H,18,21)/t11-/m0/s1 RXUAKNXAMROXDH-NSHDSACASA-N 50324918 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-isopropylpentanamide::CHEMBL1222236 Beta-secretase 1 Homo sapiens 695000 ChEMBL 10.1016/j.bmcl.2010.06.089 10.7270/Q2VQ32W7 20656487 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Evotec UK Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49864668 117646239 CHEMBL1222236 ZINC58575582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157421 CCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C25H26N4O3/c1-4-13-32-22-15-20(10-11-21(22)31-3)25(23(30)29(2)24(26)28-25)19-9-5-7-17(14-19)18-8-6-12-27-16-18/h5-12,14-16H,4,13H2,1-3H3,(H2,26,28) YYSJAHZDJKNFJF-UHFFFAOYSA-N 50303722 2-amino-4-(4-methoxy-3-propoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566407 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11654876 104158083 CHEMBL566407 ZINC45245223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157422 COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26) NBTCNBCWVKBTIT-UHFFFAOYSA-N 50303750 2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565996 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11545958 104158111 CHEMBL565996 ZINC34661182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157423 CCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C25H26N4O3/c1-4-13-32-22-15-20(10-11-21(22)31-3)25(23(30)29(2)24(26)28-25)19-9-5-7-17(14-19)18-8-6-12-27-16-18/h5-12,14-16H,4,13H2,1-3H3,(H2,26,28) YYSJAHZDJKNFJF-UHFFFAOYSA-N 50303722 2-amino-4-(4-methoxy-3-propoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566407 Beta-secretase 1 Homo sapiens 680 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11654876 104158083 CHEMBL566407 ZINC45245223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157424 COc1ccc(cc1C(F)(F)F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H19F3N4O2/c1-30-20(31)22(29-21(30)27,17-8-9-19(32-2)18(12-17)23(24,25)26)16-7-3-5-14(11-16)15-6-4-10-28-13-15/h3-13H,1-2H3,(H2,27,29) WKDSDPYPMAYPSN-UHFFFAOYSA-N 50303738 2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL585289 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11532248 104158099 CHEMBL585289 ZINC45320983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157425 COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26) NBTCNBCWVKBTIT-UHFFFAOYSA-N 50303750 2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565996 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11545958 104158111 CHEMBL565996 ZINC34661182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157426 COc1ccc(cc1C(F)(F)F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H19F3N4O2/c1-30-20(31)22(29-21(30)27,17-8-9-19(32-2)18(12-17)23(24,25)26)16-7-3-5-14(11-16)15-6-4-10-28-13-15/h3-13H,1-2H3,(H2,27,29) WKDSDPYPMAYPSN-UHFFFAOYSA-N 50303738 2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL585289 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11532248 104158099 CHEMBL585289 ZINC45320983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157427 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27) IRDBIIRYCSZMEB-UHFFFAOYSA-N 50303716 2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL567688 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11517020 104158077 CHEMBL567688 ZINC43103523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157428 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 RNJTYVPMRSKRKE-HXUWFJFHSA-N 50303731 (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one::(R)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL568115 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 569 3INH 11539562 104158092 CHEMBL568115 ZINC34631070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157429 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1F InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-5-7-14(8-6-13)32-21(23,24)25)16-4-2-3-15(17(16)22)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29) GYXAUJZSDKKZRQ-UHFFFAOYSA-N 50303729 2-amino-4-(2-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566404 Beta-secretase 1 Homo sapiens 1360 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488110 104158090 CHEMBL566404 ZINC45245101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157431 CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27) DXWZHAPHEZJJSL-UHFFFAOYSA-N 50303749 2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566406 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11611402 104158110 CHEMBL566406 ZINC35933312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157432 CN1C(N)=NC(C1=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22) BEDDENNXVBITIQ-UHFFFAOYSA-N 50303718 5-Adamantan-1-yl-2-amino-3-methyl-5-phenyl-3,5-dihydro-imidazol-4-one::CHEMBL585952 Beta-secretase 1 Homo sapiens 1530 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 593 3IND 16050640 104158079 CHEMBL585952 ZINC34948295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157433 COc1ccc(cc1OC(C)C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C25H26N4O3/c1-16(2)32-22-14-20(10-11-21(22)31-4)25(23(30)29(3)24(26)28-25)19-9-5-7-17(13-19)18-8-6-12-27-15-18/h5-16H,1-4H3,(H2,26,28) WTQARMXDFIUYMM-UHFFFAOYSA-N 50303723 2-amino-4-(3-isopropoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567687 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11539235 104158084 CHEMBL567687 ZINC34630726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157434 COc1ccc(cc1OC(C)C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C25H26N4O3/c1-16(2)32-22-14-20(10-11-21(22)31-4)25(23(30)29(3)24(26)28-25)19-9-5-7-17(13-19)18-8-6-12-27-15-18/h5-16H,1-4H3,(H2,26,28) WTQARMXDFIUYMM-UHFFFAOYSA-N 50303723 2-amino-4-(3-isopropoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567687 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11539235 104158084 CHEMBL567687 ZINC34630726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157435 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27) IRDBIIRYCSZMEB-UHFFFAOYSA-N 50303716 2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL567688 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11517020 104158077 CHEMBL567688 ZINC43103523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157436 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 RNJTYVPMRSKRKE-HXUWFJFHSA-N 50303731 (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one::(R)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL568115 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 569 3INH 11539562 104158092 CHEMBL568115 ZINC34631070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157437 COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30) SPQJQLMNHCRQEE-UHFFFAOYSA-N 50303744 2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566638 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633904 104158105 CHEMBL566638 ZINC35972124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157438 COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30) SPQJQLMNHCRQEE-UHFFFAOYSA-N 50303744 2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566638 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633904 104158105 CHEMBL566638 ZINC35972124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157439 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157440 COc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-7-4-3-5-8-12)13-9-6-10-14(11-13)22-2/h3-11H,1-2H3,(H2,18,19) BNTCTQFWBJMVDZ-UHFFFAOYSA-N 50303740 2-amino-4-(3-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL576628 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488109 104158101 CHEMBL576628 ZINC45290914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157441 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) TWVGNKMRZLBNOD-UHFFFAOYSA-N 50303719 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566200::rac-2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X45 3INF 11516577 104158080 CHEMBL566200 ZINC45245214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157442 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157443 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O3/c1-27-21(28)23(26-22(27)24,18-9-10-19(29-2)20(13-18)30-3)17-8-4-6-15(12-17)16-7-5-11-25-14-16/h4-14H,1-3H3,(H2,24,26) VJMOHDYSQCGYSS-UHFFFAOYSA-N 50303733 2-amino-4-(3,4-dimethoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566403 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11589453 104158094 CHEMBL566403 ZINC35878767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157444 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1F InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-5-7-14(8-6-13)32-21(23,24)25)16-4-2-3-15(17(16)22)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29) GYXAUJZSDKKZRQ-UHFFFAOYSA-N 50303729 2-amino-4-(2-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566404 Beta-secretase 1 Homo sapiens 2830 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488110 104158090 CHEMBL566404 ZINC45245101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157445 CN1C(N)=NC(C1=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22) BEDDENNXVBITIQ-UHFFFAOYSA-N 50303718 5-Adamantan-1-yl-2-amino-3-methyl-5-phenyl-3,5-dihydro-imidazol-4-one::CHEMBL585952 Beta-secretase 1 Homo sapiens 930 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 593 3IND 16050640 104158079 CHEMBL585952 ZINC34948295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157446 CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27) DXWZHAPHEZJJSL-UHFFFAOYSA-N 50303749 2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566406 Beta-secretase 1 Homo sapiens 520 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11611402 104158110 CHEMBL566406 ZINC35933312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157447 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Cl)c1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19) QWEOCJPATDOXQJ-UHFFFAOYSA-N 50303728 2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL578410 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488113 104158089 CHEMBL578410 ZINC45290657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157448 COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-6-4-3-5-7-12)13-8-10-14(22-2)11-9-13/h3-11H,1-2H3,(H2,18,19) VJOYOUKJSHACSN-UHFFFAOYSA-N 50303746 2-amino-4-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL577905 Beta-secretase 1 Homo sapiens 3100 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488114 104158107 CHEMBL577905 ZINC45291047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157449 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(Cl)cc1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-5-3-2-4-6-11)12-7-9-13(17)10-8-12/h2-10H,1H3,(H2,18,19) UKYITZHCXATSAD-UHFFFAOYSA-N 50303741 2-amino-4-(4-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL566007 Beta-secretase 1 Homo sapiens 2250 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488115 104158102 CHEMBL566007 ZINC45245813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157450 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29) JFVCKHOQNLFVNL-UHFFFAOYSA-N 50303757 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567258 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488111 104158118 CHEMBL567258 ZINC45246010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157451 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157452 COc1ncccc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H19F3N4O3/c1-30-20(31)22(29-21(30)27,15-8-10-17(11-9-15)33-23(24,25)26)16-6-3-5-14(13-16)18-7-4-12-28-19(18)32-2/h3-13H,1-2H3,(H2,27,29) KERCJRSYQSWRIP-UHFFFAOYSA-N 50303735 2-amino-4-(3-(2-methoxypyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567259 Beta-secretase 1 Homo sapiens 520 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488112 104158096 CHEMBL567259 ZINC45252937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157453 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 RNJTYVPMRSKRKE-HXUWFJFHSA-N 50303731 (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one::(R)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL568115 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 569 3INH 11539562 104158092 CHEMBL568115 ZINC34631070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157454 CCCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C26H28N4O3/c1-4-5-14-33-23-16-21(11-12-22(23)32-3)26(24(31)30(2)25(27)29-26)20-10-6-8-18(15-20)19-9-7-13-28-17-19/h6-13,15-17H,4-5,14H2,1-3H3,(H2,27,29) YGOMBZILOXVUMF-UHFFFAOYSA-N 50303752 2-amino-4-(3-butoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567061 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11510567 104158113 CHEMBL567061 ZINC45245860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157455 COc1ccc(cc1)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m1/s1 BGCGXOOJJMGOQV-GEYGSZSDSA-N 50303760 (R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL571319 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QL1 6UXX 45488099 104158121 CHEMBL571319 ZINC34948150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157456 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) FZVZGKTWGPYMHW-UHFFFAOYSA-N 50303717 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL566011::rac-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488119 104158078 CHEMBL566011 ZINC45246053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157457 CCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-3-27-18-6-4-17(5-7-18)22(19(26)25(2)20(23)24-22)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,3,8-13H2,1-2H3,(H2,23,24) LOQLIYCILQUEKV-UHFFFAOYSA-N 50303721 5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL566198 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050551 104158082 CHEMBL566198 ZINC34948154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157458 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H21N5O2/c1-14-9-18(7-8-19(14)29-3)22(20(28)27(2)21(23)26-22)17-6-4-5-15(10-17)16-11-24-13-25-12-16/h4-13H,1-3H3,(H2,23,26) NJDRPIPNXBADEH-UHFFFAOYSA-N 50303739 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566012 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11668187 104158100 CHEMBL566012 ZINC38215394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157459 CCCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C26H28N4O3/c1-4-5-14-33-23-16-21(11-12-22(23)32-3)26(24(31)30(2)25(27)29-26)20-10-6-8-18(15-20)19-9-7-13-28-17-19/h6-13,15-17H,4-5,14H2,1-3H3,(H2,27,29) YGOMBZILOXVUMF-UHFFFAOYSA-N 50303752 2-amino-4-(3-butoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567061 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11510567 104158113 CHEMBL567061 ZINC45245860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157460 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) FZVZGKTWGPYMHW-UHFFFAOYSA-N 50303717 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL566011::rac-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488119 104158078 CHEMBL566011 ZINC45246053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157461 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H21N5O2/c1-14-9-18(7-8-19(14)29-3)22(20(28)27(2)21(23)26-22)17-6-4-5-15(10-17)16-11-24-13-25-12-16/h4-13H,1-3H3,(H2,23,26) NJDRPIPNXBADEH-UHFFFAOYSA-N 50303739 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566012 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11668187 104158100 CHEMBL566012 ZINC38215394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157462 CCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-3-27-18-6-4-17(5-7-18)22(19(26)25(2)20(23)24-22)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,3,8-13H2,1-2H3,(H2,23,24) LOQLIYCILQUEKV-UHFFFAOYSA-N 50303721 5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL566198 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050551 104158082 CHEMBL566198 ZINC34948154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157463 COc1ccc(cn1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H19F3N4O3/c1-30-20(31)22(29-21(30)27,16-7-9-18(10-8-16)33-23(24,25)26)17-5-3-4-14(12-17)15-6-11-19(32-2)28-13-15/h3-13H,1-2H3,(H2,27,29) FPLFNFQJKPTNSQ-UHFFFAOYSA-N 50303730 2-amino-4-(3-(6-methoxypyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566212 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488116 104158091 CHEMBL566212 ZINC45245824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157464 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m0/s1 BGCGXOOJJMGOQV-CPGUEHHYSA-N 50303748 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585128 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488098 104158109 CHEMBL585128 ZINC34948148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157465 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m0/s1 BGCGXOOJJMGOQV-CPGUEHHYSA-N 50303748 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585128 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488098 104158109 CHEMBL585128 ZINC34948148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157466 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Cl)c1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19) QWEOCJPATDOXQJ-UHFFFAOYSA-N 50303728 2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL578410 Beta-secretase 1 Homo sapiens 6970 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488113 104158089 CHEMBL578410 ZINC45290657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157467 COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-6-4-3-5-7-12)13-8-10-14(22-2)11-9-13/h3-11H,1-2H3,(H2,18,19) VJOYOUKJSHACSN-UHFFFAOYSA-N 50303746 2-amino-4-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL577905 Beta-secretase 1 Homo sapiens 3350 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488114 104158107 CHEMBL577905 ZINC45291047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157468 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(Cl)cc1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-5-3-2-4-6-11)12-7-9-13(17)10-8-12/h2-10H,1H3,(H2,18,19) UKYITZHCXATSAD-UHFFFAOYSA-N 50303741 2-amino-4-(4-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL566007 Beta-secretase 1 Homo sapiens 2130 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488115 104158102 CHEMBL566007 ZINC45245813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157469 COc1ccc(cn1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H19F3N4O3/c1-30-20(31)22(29-21(30)27,16-7-9-18(10-8-16)33-23(24,25)26)17-5-3-4-14(12-17)15-6-11-19(32-2)28-13-15/h3-13H,1-2H3,(H2,27,29) FPLFNFQJKPTNSQ-UHFFFAOYSA-N 50303730 2-amino-4-(3-(6-methoxypyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566212 Beta-secretase 1 Homo sapiens 4840 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488116 104158091 CHEMBL566212 ZINC45245824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157470 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m0/s1 BGCGXOOJJMGOQV-CPGUEHHYSA-N 50303748 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585128 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488098 104158109 CHEMBL585128 ZINC34948148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157471 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m0/s1 BGCGXOOJJMGOQV-CPGUEHHYSA-N 50303748 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585128 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488098 104158109 CHEMBL585128 ZINC34948148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157472 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C)c(c1)-c1cccnc1 InChI=1S/C24H24N4O2/c1-15-7-8-19(13-20(15)17-6-5-11-26-14-17)24(22(29)28(3)23(25)27-24)18-9-10-21(30-4)16(2)12-18/h5-14H,1-4H3,(H2,25,27) AIBQLQGSZCUSCL-UHFFFAOYSA-N 50303720 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(4-methyl-3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565995 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11538592 104158081 CHEMBL565995 ZINC34629567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157473 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C#N)c(c1)-c1cccnc1 InChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28) ZPCHKGPANGLPQI-UHFFFAOYSA-N 50303725 4-(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-2-(pyridin-3-yl)benzonitrile::CHEMBL565378 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11560610 104158086 CHEMBL565378 ZINC35817503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157474 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 27000 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157475 CCCCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C24H33N3O2/c1-3-4-9-29-20-7-5-19(6-8-20)24(21(28)27(2)22(25)26-24)23-13-16-10-17(14-23)12-18(11-16)15-23/h5-8,16-18H,3-4,9-15H2,1-2H3,(H2,25,26) JJIVIBNFUQPABT-UHFFFAOYSA-N 50303737 5-Adamantan-1-yl-2-amino-5-(4-butoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585286 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050552 104158098 CHEMBL585286 ZINC34948158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157476 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H24F3N3O2/c1-27-17(28)20(26-18(27)25,15-2-4-16(5-3-15)29-21(22,23)24)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H2,25,26) KKUVYLRKCGXDSS-UHFFFAOYSA-N 50303732 5-Adamantan-1-yl-2-amino-3-methyl-5-(4-trifluoromethoxy-phenyl)-3,5-diydro-imidazol-4-one::CHEMBL583899 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488101 104158093 CHEMBL583899 ZINC45317151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157477 COc1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O2/c1-31-25(32)27(30-26(31)28,21-11-5-9-19(15-21)20-10-6-14-29-17-20)22-12-13-24(33-2)23(16-22)18-7-3-4-8-18/h5-6,9-18H,3-4,7-8H2,1-2H3,(H2,28,30) LBTDLQNIKCPSHI-UHFFFAOYSA-N 50303724 2-amino-4-(3-cyclopentyl-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565790 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11553983 104158085 CHEMBL565790 ZINC35801399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157480 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14?,15?,16?,21?,22-/m0/s1 HZIOSWLCMNAEBB-RCRNZYILSA-N 50303734 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL571320 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X17 3INE 45488104 104158095 CHEMBL571320 ZINC45283585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157481 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccc2OCCOc2c1 InChI=1S/C23H20N4O3/c1-27-21(28)23(26-22(27)24,18-7-8-19-20(13-18)30-11-10-29-19)17-6-2-4-15(12-17)16-5-3-9-25-14-16/h2-9,12-14H,10-11H2,1H3,(H2,24,26) ZREWWVASMZJDGY-UHFFFAOYSA-N 50303751 2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL584917 Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11654224 104158112 CHEMBL584917 ZINC45318235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157482 CN1C(N)=NC(C1=O)(c1ccc2OCCc2c1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H20N4O2/c1-27-21(28)23(26-22(27)24,19-7-8-20-16(13-19)9-11-29-20)18-6-2-4-15(12-18)17-5-3-10-25-14-17/h2-8,10,12-14H,9,11H2,1H3,(H2,24,26) VACMQJOAIDVTHB-UHFFFAOYSA-N 50303758 2-amino-4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566414 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11668120 104158119 CHEMBL566414 ZINC38215320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157483 CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1 InChI=1S/C22H18N4O3/c1-26-20(27)22(25-21(26)23,17-7-8-18-19(11-17)29-13-28-18)16-6-2-4-14(10-16)15-5-3-9-24-12-15/h2-12H,13H2,1H3,(H2,23,25) XEGBNTCEGJZIPQ-UHFFFAOYSA-N 50303726 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566415 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11531131 104158087 CHEMBL566415 ZINC45245459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157484 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14?,15?,16?,21?,22-/m0/s1 HZIOSWLCMNAEBB-RCRNZYILSA-N 50303734 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL571320 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X17 3INE 45488104 104158095 CHEMBL571320 ZINC45283585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157485 CCN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C17H17N3O/c1-2-20-15(21)17(19-16(20)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19) NAIMLLJOOQROJZ-UHFFFAOYSA-N 50303753 2-amino-1-ethyl-4,4-diphenyl-1H-imidazol-5(4H)-one::CHEMBL567053 Beta-secretase 1 Homo sapiens 8130 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488103 104158114 CHEMBL567053 ZINC45245611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157486 CN1C(N)=NC(C1=O)(c1ccc2OCCc2c1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H20N4O2/c1-27-21(28)23(26-22(27)24,19-7-8-20-16(13-19)9-11-29-20)18-6-2-4-15(12-18)17-5-3-10-25-14-17/h2-8,10,12-14H,9,11H2,1H3,(H2,24,26) VACMQJOAIDVTHB-UHFFFAOYSA-N 50303758 2-amino-4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566414 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11668120 104158119 CHEMBL566414 ZINC38215320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157487 CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1 InChI=1S/C22H18N4O3/c1-26-20(27)22(25-21(26)23,17-7-8-18-19(11-17)29-13-28-18)16-6-2-4-14(10-16)15-5-3-9-24-12-15/h2-12H,13H2,1H3,(H2,23,25) XEGBNTCEGJZIPQ-UHFFFAOYSA-N 50303726 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566415 Beta-secretase 1 Homo sapiens 680 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11531131 104158087 CHEMBL566415 ZINC45245459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157488 NC1=NC(C(=O)N1)(c1ccccc1)c1ccccc1 InChI=1S/C15H13N3O/c16-14-17-13(19)15(18-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19) KMAGLUVYQQBXIR-UHFFFAOYSA-N 50303754 2-Imino-5,5-diphenyl-imidazolidin-4-one::2-amino-4,4-diphenyl-1H-imidazol-5(4H)-one::CHEMBL56002 Beta-secretase 1 Homo sapiens 23500 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 213731 104158115 CHEMBL56002 ZINC12376028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157489 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C)c(c1)-c1cccnc1 InChI=1S/C24H24N4O2/c1-15-7-8-19(13-20(15)17-6-5-11-26-14-17)24(22(29)28(3)23(25)27-24)18-9-10-21(30-4)16(2)12-18/h5-14H,1-4H3,(H2,25,27) AIBQLQGSZCUSCL-UHFFFAOYSA-N 50303720 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(4-methyl-3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565995 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11538592 104158081 CHEMBL565995 ZINC34629567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157490 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C#N)c(c1)-c1cccnc1 InChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28) ZPCHKGPANGLPQI-UHFFFAOYSA-N 50303725 4-(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-2-(pyridin-3-yl)benzonitrile::CHEMBL565378 Beta-secretase 1 Homo sapiens 1750 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11560610 104158086 CHEMBL565378 ZINC35817503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157491 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14?,15?,16?,21?,22-/m0/s1 HZIOSWLCMNAEBB-RCRNZYILSA-N 50303734 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL571320 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X17 3INE 45488104 104158095 CHEMBL571320 ZINC45283585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157492 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,14-2-4-17(5-3-14)32-21(23,24)25)15-6-12(7-16(22)8-15)13-9-27-11-28-10-13/h2-11H,1H3,(H2,26,29) SWJSIMOUBCDDJW-UHFFFAOYSA-N 50303743 2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566633 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488107 104158104 CHEMBL566633 ZINC45245843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157493 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157494 CN1C(N)=N[C@@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m0/s1 RNJTYVPMRSKRKE-FQEVSTJZSA-N 50303756 (S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566632 Beta-secretase 1 Homo sapiens 1390 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488106 104158117 CHEMBL566632 ZINC43103532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157495 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14?,15?,16?,21?,22-/m0/s1 HZIOSWLCMNAEBB-RCRNZYILSA-N 50303734 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL571320 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X17 3INE 45488104 104158095 CHEMBL571320 ZINC45283585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157497 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccc2OCCOc2c1 InChI=1S/C23H20N4O3/c1-27-21(28)23(26-22(27)24,18-7-8-19-20(13-18)30-11-10-29-19)17-6-2-4-15(12-17)16-5-3-9-25-14-16/h2-9,12-14H,10-11H2,1H3,(H2,24,26) ZREWWVASMZJDGY-UHFFFAOYSA-N 50303751 2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL584917 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11654224 104158112 CHEMBL584917 ZINC45318235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157498 COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m0/s1 JIBQVJZSWQNHLX-QHCPKHFHSA-N 50303747 (4S)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL567477 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44631933 104158108 CHEMBL567477 ZINC45253647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157499 CCCCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C24H33N3O2/c1-3-4-9-29-20-7-5-19(6-8-20)24(21(28)27(2)22(25)26-24)23-13-16-10-17(14-23)12-18(11-16)15-23/h5-8,16-18H,3-4,9-15H2,1-2H3,(H2,25,26) JJIVIBNFUQPABT-UHFFFAOYSA-N 50303737 5-Adamantan-1-yl-2-amino-5-(4-butoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585286 Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050552 104158098 CHEMBL585286 ZINC34948158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157500 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H24F3N3O2/c1-27-17(28)20(26-18(27)25,15-2-4-16(5-3-15)29-21(22,23)24)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H2,25,26) KKUVYLRKCGXDSS-UHFFFAOYSA-N 50303732 5-Adamantan-1-yl-2-amino-3-methyl-5-(4-trifluoromethoxy-phenyl)-3,5-diydro-imidazol-4-one::CHEMBL583899 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488101 104158093 CHEMBL583899 ZINC45317151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157501 COc1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O2/c1-31-25(32)27(30-26(31)28,21-11-5-9-19(15-21)20-10-6-14-29-17-20)22-12-13-24(33-2)23(16-22)18-7-3-4-8-18/h5-6,9-18H,3-4,7-8H2,1-2H3,(H2,28,30) LBTDLQNIKCPSHI-UHFFFAOYSA-N 50303724 2-amino-4-(3-cyclopentyl-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565790 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11553983 104158085 CHEMBL565790 ZINC35801399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157502 COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26) YWRKDNPWZYLYMH-UHFFFAOYSA-N 50303745 2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566223 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11632510 104158106 CHEMBL566223 ZINC35967805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157503 COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14?,15?,16?,21?,22-/m1/s1 HZIOSWLCMNAEBB-QVLKYBFXSA-N 50303755 (R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585120 Beta-secretase 1 Homo sapiens 45000 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488108 104158116 CHEMBL585120 ZINC45316628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157504 CCc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C23H31N3O2/c1-4-17-10-18(5-6-19(17)28-3)23(20(27)26(2)21(24)25-23)22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16H,4,7-9,11-13H2,1-3H3,(H2,24,25) ZQVKNEMQAHETSD-UHFFFAOYSA-N 50303759 5-Adamantan-1-yl-2-amino-5-(3-ethyl-4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL584109 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050553 104158120 CHEMBL584109 ZINC34948162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157506 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23,16-4-5-17(27-2)18(9-16)28-3)21-10-13-6-14(11-21)8-15(7-13)12-21/h4-5,9,13-15H,6-8,10-12H2,1-3H3,(H2,23,24) UOXQVRHHHXEQIR-UHFFFAOYSA-N 50303742 5-Adamantan-1-yl-2-amino-5-(3,4-dimethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL567485 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050641 104158103 CHEMBL567485 ZINC34948299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157508 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23,16-4-5-17(27-2)18(9-16)28-3)21-10-13-6-14(11-21)8-15(7-13)12-21/h4-5,9,13-15H,6-8,10-12H2,1-3H3,(H2,23,24) UOXQVRHHHXEQIR-UHFFFAOYSA-N 50303742 5-Adamantan-1-yl-2-amino-5-(3,4-dimethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL567485 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050641 104158103 CHEMBL567485 ZINC34948299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157509 COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26) YWRKDNPWZYLYMH-UHFFFAOYSA-N 50303745 2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566223 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11632510 104158106 CHEMBL566223 ZINC35967805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157510 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157511 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3440 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157512 COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14?,15?,16?,21?,22-/m1/s1 HZIOSWLCMNAEBB-QVLKYBFXSA-N 50303755 (R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585120 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488108 104158116 CHEMBL585120 ZINC45316628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157513 CCc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C23H31N3O2/c1-4-17-10-18(5-6-19(17)28-3)23(20(27)26(2)21(24)25-23)22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16H,4,7-9,11-13H2,1-3H3,(H2,24,25) ZQVKNEMQAHETSD-UHFFFAOYSA-N 50303759 5-Adamantan-1-yl-2-amino-5-(3-ethyl-4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL584109 Beta-secretase 1 Homo sapiens 760 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050553 104158120 CHEMBL584109 ZINC34948162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157515 COc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-7-4-3-5-8-12)13-9-6-10-14(11-13)22-2/h3-11H,1-2H3,(H2,18,19) BNTCTQFWBJMVDZ-UHFFFAOYSA-N 50303740 2-amino-4-(3-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL576628 Beta-secretase 1 Homo sapiens 3470 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488109 104158101 CHEMBL576628 ZINC45290914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157516 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) TWVGNKMRZLBNOD-UHFFFAOYSA-N 50303719 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566200::rac-2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X45 3INF 11516577 104158080 CHEMBL566200 ZINC45245214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157517 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O3/c1-27-21(28)23(26-22(27)24,18-9-10-19(29-2)20(13-18)30-3)17-8-4-6-15(12-17)16-7-5-11-25-14-16/h4-14H,1-3H3,(H2,24,26) VJMOHDYSQCGYSS-UHFFFAOYSA-N 50303733 2-amino-4-(3,4-dimethoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566403 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11589453 104158094 CHEMBL566403 ZINC35878767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157519 COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m0/s1 JIBQVJZSWQNHLX-QHCPKHFHSA-N 50303747 (4S)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL567477 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44631933 104158108 CHEMBL567477 ZINC45253647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157520 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50157521 CN1C(N)=N[C@@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m0/s1 RNJTYVPMRSKRKE-FQEVSTJZSA-N 50303756 (S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566632 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/jm901414e 10.7270/Q2SX6DBS 19968289 Malamas, MS; Erdei, J; Gunawan, I; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Jacobsen, S; Magolda, RL; Pangalos, M; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488106 104158117 CHEMBL566632 ZINC43103532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162990 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O InChI=1S/C30H35F3N4O4S/c1-2-34-25-16-22(17-26(19-25)37-13-6-7-14-42(37,40)41)29(39)36-27(15-21-9-4-3-5-10-21)28(38)20-35-24-12-8-11-23(18-24)30(31,32)33/h3-5,8-12,16-19,27-28,34-35,38H,2,6-7,13-15,20H2,1H3,(H,36,39)/t27-,28+/m0/s1 DZZQSMYRZGWURM-WUFINQPMSA-N 50320578 CHEMBL1165545::N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3-trifluoromethyl-phenylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-ethylamino-benzamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907487 104142107 CHEMBL1165545 ZINC49808477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162991 CC(C)C1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C33H44N4O6S/c1-21(2)29-30(32(39)35-27(18-24-12-8-6-9-13-24)28(38)19-34-26-16-17-26)22(3)37(44(5,41)42)23(4)31(29)33(40)36-43-20-25-14-10-7-11-15-25/h6-15,21,26-29,34,38H,16-20H2,1-5H3,(H,35,39)(H,36,40)/t27-,28+,29?/m0/s1 ZVIDZRYPRXMIFU-POZJPKTBSA-N 50320584 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-isopropyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate::CHEMBL1165394 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907454 104142113 CHEMBL1165394 ZINC49803686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162992 CCCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C33H44N4O6S/c1-5-12-27-30(32(39)35-28(19-24-13-8-6-9-14-24)29(38)20-34-26-17-18-26)22(2)37(44(4,41)42)23(3)31(27)33(40)36-43-21-25-15-10-7-11-16-25/h6-11,13-16,26-29,34,38H,5,12,17-21H2,1-4H3,(H,35,39)(H,36,40)/t27?,28-,29+/m0/s1 AMLMIHYWWUTQAK-CVWZLOPKSA-N 50320583 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-propyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1163401 Beta-secretase 1 Homo sapiens 8100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907453 104142112 CHEMBL1163401 ZINC49853491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162993 CC1=C(C(C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N1S(C)(=O)=O)c1ccccc1)C(=O)NOCc1ccccc1 InChI=1S/C36H42N4O6S/c1-24-32(35(42)38-30(21-26-13-7-4-8-14-26)31(41)22-37-29-19-20-29)34(28-17-11-6-12-18-28)33(25(2)40(24)47(3,44)45)36(43)39-46-23-27-15-9-5-10-16-27/h4-18,29-31,34,37,41H,19-23H2,1-3H3,(H,38,42)(H,39,43)/t30-,31+,34?/m0/s1 APLQMRZTRIZQPN-ABKFLVSBSA-N 50320585 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-phenyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1163407 Beta-secretase 1 Homo sapiens 21400 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907455 104142114 CHEMBL1163407 ZINC49853424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162994 CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNc2cccc(F)c2)=C1C)C(C)=O InChI=1S/C32H40FN3O5/c1-19(2)41-29(39)18-36-21(4)30(23(6)37)20(3)31(22(36)5)32(40)35-27(15-24-11-8-7-9-12-24)28(38)17-34-26-14-10-13-25(33)16-26/h7-14,16,19-20,27-28,34,38H,15,17-18H2,1-6H3,(H,35,40)/t20?,27-,28+/m0/s1 LGSJTMUEVUBNRI-MDVVCPKYSA-N 50320590 CHEMBL1163932::Isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 26400 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703650 104142119 CHEMBL1163932 ZINC49802878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162995 CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(C)=O InChI=1S/C29H41N3O5/c1-17(2)37-26(35)16-32-19(4)27(21(6)33)18(3)28(20(32)5)29(36)31-24(14-22-10-8-7-9-11-22)25(34)15-30-23-12-13-23/h7-11,17-18,23-25,30,34H,12-16H2,1-6H3,(H,31,36)/t18?,24-,25+/m0/s1 AYTFEPLGCVRICQ-LTCITEBFSA-N 50320589 CHEMBL1164493::Isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 29300 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703649 104142118 CHEMBL1164493 ZINC49803313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162996 CC(C)OC(=O)CN1C=C(C(C)C(C(C)=O)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 InChI=1S/C31H38FN3O5/c1-19(2)40-29(38)18-35-17-26(20(3)30(21(35)4)22(5)36)31(39)34-27(14-23-10-7-6-8-11-23)28(37)16-33-25-13-9-12-24(32)15-25/h6-13,15,17,19-20,27-28,33,37H,14,16,18H2,1-5H3,(H,34,39)/t20?,27-,28+/m0/s1 INANMIZMGODMAT-MDVVCPKYSA-N 50320570 CHEMBL1165534::Isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 29300 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46704111 104142099 CHEMBL1165534 ZINC49807802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162997 CCOC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 InChI=1S/C34H44N4O6/c1-5-43-30(40)20-38-23(3)31(22(2)32(24(38)4)34(42)37-44-21-26-14-10-7-11-15-26)33(41)36-28(18-25-12-8-6-9-13-25)29(39)19-35-27-16-17-27/h6-15,22,27-29,35,39H,5,16-21H2,1-4H3,(H,36,41)(H,37,42)/t22?,28-,29+/m0/s1 YTKRBAXKPYDSRW-HJADWECZSA-N 50320587 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-ethoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1165458 Beta-secretase 1 Homo sapiens 15500 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907457 104142116 CHEMBL1165458 ZINC49807784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162998 COC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 InChI=1S/C33H42N4O6/c1-21-30(32(40)35-27(17-24-11-7-5-8-12-24)28(38)18-34-26-15-16-26)22(2)37(19-29(39)42-4)23(3)31(21)33(41)36-43-20-25-13-9-6-10-14-25/h5-14,21,26-28,34,38H,15-20H2,1-4H3,(H,35,40)(H,36,41)/t21?,27-,28+/m0/s1 BXCHXBQOUXEKRO-WQUSIPDKSA-N 50320586 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-methoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1163414 Beta-secretase 1 Homo sapiens 15200 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907456 104142115 CHEMBL1163414 ZINC49853442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162999 CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C30H43N3O6/c1-19(2)38-27(35)18-33-16-23(20(3)24(17-33)29(37)39-30(4,5)6)28(36)32-25(14-21-10-8-7-9-11-21)26(34)15-31-22-12-13-22/h7-11,16-17,19-20,22,25-26,31,34H,12-15,18H2,1-6H3,(H,32,36)/t20?,25-,26+/m0/s1 UNWHHYUCVOOZLL-XUFZRAOVSA-N 50320572 CHEMBL1164568::tert-butyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-methyl-1,4-dihydropyridine-3-carboxylate Beta-secretase 1 Homo sapiens 31900 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46704273 104142101 CHEMBL1164568 ZINC49803846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163000 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2=CN(CC(=O)OC(C)C)C(C)=C(C2C)C(C)=O)c1 InChI=1S/C33H43N3O6/c1-21(2)42-31(39)20-36-19-28(22(3)32(23(36)4)24(5)37)33(40)35-29(16-25-11-8-7-9-12-25)30(38)18-34-17-26-13-10-14-27(15-26)41-6/h7-15,19,21-22,29-30,34,38H,16-18,20H2,1-6H3,(H,35,40)/t22?,29-,30+/m0/s1 OCFFIGQYGKBNEY-CTIJWOEKSA-N 50320571 CHEMBL1163421::Isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenylbutan-2-ylcarbamoyl)-2,4-dimethylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 26100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46704268 104142100 CHEMBL1163421 ZINC49853427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163001 CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 InChI=1S/C35H46N4O6/c1-22(2)45-31(41)20-39-24(4)32(23(3)33(25(39)5)35(43)38-44-21-27-14-10-7-11-15-27)34(42)37-29(18-26-12-8-6-9-13-26)30(40)19-36-28-16-17-28/h6-15,22-23,28-30,36,40H,16-21H2,1-5H3,(H,37,42)(H,38,43)/t23?,29-,30+/m0/s1 AKIOKNCWTMXBTE-XSJQRQGXSA-N 50320588 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1165427 Beta-secretase 1 Homo sapiens 9000 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907458 104142117 CHEMBL1165427 ZINC49808118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163002 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 InChI=1S/C36H49N3O7/c1-8-13-28-29(21-39(23-33(41)45-24(2)3)22-30(28)35(43)46-36(4,5)6)34(42)38-31(18-25-14-10-9-11-15-25)32(40)20-37-26-16-12-17-27(19-26)44-7/h9-12,14-17,19,21-22,24,28,31-32,37,40H,8,13,18,20,23H2,1-7H3,(H,38,42)/t28?,31-,32+/m0/s1 XMXITDLPCGBKLS-VICIGFPDSA-N 50320574 CHEMBL1163426::Tert-butyl 5-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-propyl-1,4-dihydropyridine-3-carboxylate Beta-secretase 1 Homo sapiens 30400 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46704413 104142103 CHEMBL1163426 ZINC49853450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163003 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163004 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C31H45N3O5/c1-7-11-25-29(22(6)35)20(4)34(18-28(37)39-19(2)3)21(5)30(25)31(38)33-26(16-23-12-9-8-10-13-23)27(36)17-32-24-14-15-24/h8-10,12-13,19,24-27,32,36H,7,11,14-18H2,1-6H3,(H,33,38)/t25?,26-,27+/m0/s1 LAQORKPJHRSUQQ-GDRMZMBQSA-N 50320591 CHEMBL1163933::Isopropyl 2-(3-acetyl-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 33100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703651 104142120 CHEMBL1163933 ZINC49802880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163005 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C32H47N3O6/c1-7-11-24-25(18-35(20-29(37)40-21(2)3)19-26(24)31(39)41-32(4,5)6)30(38)34-27(16-22-12-9-8-10-13-22)28(36)17-33-23-14-15-23/h8-10,12-13,18-19,21,23-24,27-28,33,36H,7,11,14-17,20H2,1-6H3,(H,34,38)/t24?,27-,28+/m0/s1 KKEZYCVDBBSKPD-SCXVOSTRSA-N 50320573 CHEMBL1165107::Tert-butyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-4-propyl-1,4-dihydropyridine-3-carboxylate Beta-secretase 1 Homo sapiens 24600 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46704412 104142102 CHEMBL1165107 ZINC49807972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163006 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 InChI=1S/C36H48N4O5/c1-5-12-29-30(35(43)38-25(4)27-15-10-7-11-16-27)21-40(23-34(42)45-24(2)3)22-31(29)36(44)39-32(19-26-13-8-6-9-14-26)33(41)20-37-28-17-18-28/h6-11,13-16,21-22,24-25,28-29,32-33,37,41H,5,12,17-20,23H2,1-4H3,(H,38,43)(H,39,44)/t25?,29?,32-,33+/m0/s1 KKDBVMXUSPGZQN-ZFWQNNPVSA-N 50320576 CHEMBL1163427::Isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 29600 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907485 104142105 CHEMBL1163427 ZINC49853431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163007 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163008 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 InChI=1S/C35H47N3O6/c1-8-13-29-33(25(6)39)23(4)38(21-32(41)44-22(2)3)24(5)34(29)35(42)37-30(18-26-14-10-9-11-15-26)31(40)20-36-27-16-12-17-28(19-27)43-7/h9-12,14-17,19,22,29-31,36,40H,8,13,18,20-21H2,1-7H3,(H,37,42)/t29?,30-,31+/m0/s1 ODSVUOPSLHETDS-CJZYSFCQSA-N 50320593 CHEMBL1163422::Isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 26600 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703795 104142122 CHEMBL1163422 ZINC49853437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163009 CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 InChI=1S/C34H44N4O5/c1-22(2)43-32(40)21-38-19-28(33(41)36-24(4)26-13-9-6-10-14-26)23(3)29(20-38)34(42)37-30(17-25-11-7-5-8-12-25)31(39)18-35-27-15-16-27/h5-14,19-20,22-24,27,30-31,35,39H,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t23?,24?,30-,31+/m0/s1 RZQUFKGAXOEZNP-JKNAEVGKSA-N 50320575 CHEMBL1165517::Isopropyl 2-(3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-methyl-5-((R)-1-phenylethylcarbamoyl)pyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 32800 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907484 104142104 CHEMBL1165517 ZINC49807796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163010 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 InChI=1S/C34H44FN3O5/c1-7-12-28-32(24(6)39)22(4)38(20-31(41)43-21(2)3)23(5)33(28)34(42)37-29(17-25-13-9-8-10-14-25)30(40)19-36-27-16-11-15-26(35)18-27/h8-11,13-16,18,21,28-30,36,40H,7,12,17,19-20H2,1-6H3,(H,37,42)/t28?,29-,30+/m0/s1 LYLILSZAMXSWHD-YHCMTOLSSA-N 50320592 CHEMBL1163420::Isopropyl 2-(3-acetyl-5-((2S,3R)-4-(3-fluorophenylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 27100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703794 104142121 CHEMBL1163420 ZINC49853448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163011 CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CCCOC(C)=O)C(C)=C1C(=O)OCc1ccccc1 InChI=1S/C35H45N3O6/c1-23-32(34(41)37-30(20-27-12-7-5-8-13-27)31(40)21-36-29-16-17-29)24(2)38(18-11-19-43-26(4)39)25(3)33(23)35(42)44-22-28-14-9-6-10-15-28/h5-10,12-15,23,29-31,36,40H,11,16-22H2,1-4H3,(H,37,41)/t23?,30-,31+/m0/s1 MJTFMNRKYZIKMT-DFVJNAHYSA-N 50320595 Benzyl 1-(3-acetoxypropyl)-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1165490 Beta-secretase 1 Homo sapiens 26900 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46702891 104142124 CHEMBL1165490 ZINC49803587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163012 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1)C(=O)NC(C)c1ccccc1 InChI=1S/C40H50N4O6/c1-6-14-33-34(39(47)42-28(4)30-17-11-8-12-18-30)24-44(26-38(46)50-27(2)3)25-35(33)40(48)43-36(21-29-15-9-7-10-16-29)37(45)23-41-31-19-13-20-32(22-31)49-5/h7-13,15-20,22,24-25,27-28,33,36-37,41,45H,6,14,21,23,26H2,1-5H3,(H,42,47)(H,43,48)/t28?,33?,36-,37+/m0/s1 FGPAWXPJMYQIHY-XFABHIOCSA-N 50320577 CHEMBL1163433::Isopropyl 2-(3-((2S,3R)-3-hydroxy-4-(3-methoxyphenylamino)-1-phenylbutan-2-ylcarbamoyl)-5-((R)-1-phenylethylcarbamoyl)-4-propylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 31200 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907486 104142106 CHEMBL1163433 ZINC49853455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163013 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C36H49N3O6/c1-8-13-30-34(26(6)40)24(4)39(22-33(42)45-23(2)3)25(5)35(30)36(43)38-31(19-27-14-10-9-11-15-27)32(41)21-37-20-28-16-12-17-29(18-28)44-7/h9-12,14-18,23,30-32,37,41H,8,13,19-22H2,1-7H3,(H,38,43)/t30?,31-,32+/m0/s1 TYNIQBHKVGZKJG-XXWVNBFBSA-N 50320594 CHEMBL1165489::Isopropyl 2-(3-acetyl-5-((2S,3R)-3-hydroxy-4-(3-methoxybenzylamino)-1-phenyl butan-2-ylcarbamoyl)-2,6-dimethyl-4-propylpyridin-1(4H)-yl)acetate Beta-secretase 1 Homo sapiens 23200 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703796 104142123 CHEMBL1165489 ZINC49803585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163015 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163016 CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N2CCOCC2)C(C)=C1C(=O)OCc1ccccc1 InChI=1S/C36H46N4O6/c1-24-33(35(43)38-30(20-27-10-6-4-7-11-27)31(41)21-37-29-14-15-29)25(2)40(22-32(42)39-16-18-45-19-17-39)26(3)34(24)36(44)46-23-28-12-8-5-9-13-28/h4-13,24,29-31,37,41H,14-23H2,1-3H3,(H,38,43)/t24?,30-,31+/m0/s1 PJFBTVXNTRSLPA-VHHLQSIKSA-N 50320597 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(2-morpholino-2-oxoethyl)-1,4-dihydropyridine-3-carboxylate::CHEMBL1165491 Beta-secretase 1 Homo sapiens 28400 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703956 104142126 CHEMBL1165491 ZINC49807679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163017 CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N(C)C)C(C)=C1C(=O)OCc1ccccc1 InChI=1S/C34H44N4O5/c1-22-31(33(41)36-28(18-25-12-8-6-9-13-25)29(39)19-35-27-16-17-27)23(2)38(20-30(40)37(4)5)24(3)32(22)34(42)43-21-26-14-10-7-11-15-26/h6-15,22,27-29,35,39H,16-21H2,1-5H3,(H,36,41)/t22?,28-,29+/m0/s1 WNPBYOTXURQWEF-HJADWECZSA-N 50320596 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(dimethylamino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1163423 Beta-secretase 1 Homo sapiens 39100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703955 104142125 CHEMBL1163423 ZINC49853439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163018 CC(C)OC(=O)CN1C=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C34H43N3O6/c1-22(2)43-31(39)20-37-19-28(23(3)32(24(37)4)34(41)42-21-26-13-9-6-10-14-26)33(40)36-29(17-25-11-7-5-8-12-25)30(38)18-35-27-15-16-27/h5-14,19,22-23,27,29-30,35,38H,15-18,20-21H2,1-4H3,(H,36,40)/t23?,29-,30+/m0/s1 JADFFYUVUDGVFO-XSJQRQGXSA-N 50320599 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4-dimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1165492 Beta-secretase 1 Homo sapiens 16100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46704110 104142128 CHEMBL1165492 ZINC49807681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163019 CC(C)N(C)C(=O)CN1C(C)=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C36H48N4O5/c1-23(2)39(6)32(42)21-40-25(4)33(24(3)34(26(40)5)36(44)45-22-28-15-11-8-12-16-28)35(43)38-30(19-27-13-9-7-10-14-27)31(41)20-37-29-17-18-29/h7-16,23-24,29-31,37,41H,17-22H2,1-6H3,(H,38,43)/t24?,30-,31+/m0/s1 CMNBTLFYHWUMQQ-VHHLQSIKSA-N 50320598 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(isopropyl(methyl)amino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1163425 Beta-secretase 1 Homo sapiens 28200 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703957 104142127 CHEMBL1163425 ZINC49853444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163020 CCC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(C(C)=C1C(=O)NC(C)c1ccccc1)S(C)(=O)=O InChI=1S/C33H44N4O5S/c1-6-27-30(32(39)35-21(2)25-15-11-8-12-16-25)22(3)37(43(5,41)42)23(4)31(27)33(40)36-28(19-24-13-9-7-10-14-24)29(38)20-34-26-17-18-26/h7-16,21,26-29,34,38H,6,17-20H2,1-5H3,(H,35,39)(H,36,40)/t21?,27?,28-,29+/m0/s1 QHBMSDGVMGLBIY-HCVBKAHASA-N 50320580 CHEMBL1165369::N3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-N5-((R)-1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide Beta-secretase 1 Homo sapiens 16200 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907450 104142109 CHEMBL1165369 ZINC49807509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163021 C[C@@H](NC(=O)C1=C(C)N(C(C)=C(C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O)c1ccccc1 InChI=1S/C32H42N4O5S/c1-20-29(31(38)34-21(2)25-14-10-7-11-15-25)22(3)36(42(5,40)41)23(4)30(20)32(39)35-27(18-24-12-8-6-9-13-24)28(37)19-33-26-16-17-26/h6-15,20-21,26-28,33,37H,16-19H2,1-5H3,(H,34,38)(H,35,39)/t20?,21-,27+,28-/m1/s1 SDVIJSYVKMOBBP-WJHNNCHLSA-N 50320579 CHEMBL1163398::N3-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-2,4,6-trimethyl-1-(methylsulfonyl)-N5-((R)-1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxamide Beta-secretase 1 Homo sapiens 16100 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46703353 104142108 CHEMBL1163398 ZINC49853466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163023 CCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C32H42N4O6S/c1-5-26-29(31(38)34-27(18-23-12-8-6-9-13-23)28(37)19-33-25-16-17-25)21(2)36(43(4,40)41)22(3)30(26)32(39)35-42-20-24-14-10-7-11-15-24/h6-15,25-28,33,37H,5,16-20H2,1-4H3,(H,34,38)(H,35,39)/t26?,27-,28+/m0/s1 DWZMIAYLKQUVFW-GUQXXGRISA-N 50320582 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate::CHEMBL1165393 Beta-secretase 1 Homo sapiens 9500 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907452 104142111 CHEMBL1165393 ZINC49803576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163026 CC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O InChI=1S/C31H40N4O6S/c1-20-28(30(37)33-26(17-23-11-7-5-8-12-23)27(36)18-32-25-15-16-25)21(2)35(42(4,39)40)22(3)29(20)31(38)34-41-19-24-13-9-6-10-14-24/h5-14,20,25-27,32,36H,15-19H2,1-4H3,(H,33,37)(H,34,38)/t20?,26-,27+/m0/s1 CNJOYBDRTQWXKI-JWGNHWIISA-N 50320581 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate::CHEMBL1163400 Beta-secretase 1 Homo sapiens 14900 ChEMBL 10.1016/j.ejmech.2010.02.046 10.7270/Q23778WK 20303626 Choi, SJ; Cho, JH; Im, I; Lee, SD; Jang, JY; Oh, YM; Jung, YK; Jeon, ES; Kim, YC Institute of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907451 104142110 CHEMBL1163400 ZINC49853485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163027 Clc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(=O)NCCc3ccccc3)c2)cc1 InChI=1S/C29H25ClN4O3/c30-24-11-13-25(14-12-24)33-29(37)22-8-4-10-26(18-22)32-27(35)20-34-17-5-9-23(19-34)28(36)31-16-15-21-6-2-1-3-7-21/h1-14,17-19H,15-16,20H2,(H2-,31,32,33,35,36,37)/p+1 GRWFLODTAPLGBN-UHFFFAOYSA-O 50320697 1-{[3-(4-Chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl}-3-phenethylcarbamoyl-pyridiniumchloride::CHEMBL1163845 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906961 104142226 CHEMBL1163845 ZINC49803190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163030 Cc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(=O)NCCc3ccccc3)c2)cc1 InChI=1S/C30H28N4O3/c1-22-12-14-26(15-13-22)33-30(37)24-9-5-11-27(19-24)32-28(35)21-34-18-6-10-25(20-34)29(36)31-17-16-23-7-3-2-4-8-23/h2-15,18-20H,16-17,21H2,1H3,(H2-,31,32,33,35,36,37)/p+1 IOCRPSHKNJYHSV-UHFFFAOYSA-O 50320696 3-Phenethylcarbamoyl-1-[(3-p-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridiniumchloride::CHEMBL1163776 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906957 104142225 CHEMBL1163776 ZINC49802391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163033 OCCNc1nc(NNC(CC(O)=O)c2ccccc2)nc(n1)N1CCOCC1 InChI=1S/C18H25N7O4/c26-9-6-19-16-20-17(22-18(21-16)25-7-10-29-11-8-25)24-23-14(12-15(27)28)13-4-2-1-3-5-13/h1-5,14,23,26H,6-12H2,(H,27,28)(H2,19,20,21,22,24) PMEMOCDWOJAMJG-UHFFFAOYSA-N 50320631 3-(2-(4-(2-hydroxyethylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazinyl)-3-phenylpropanoic acid::CHEMBL1163712 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906869 104142160 CHEMBL1163712 ZINC49832479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161987 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(Cl)cc1Cl InChI=1S/C30H40Cl2N4O6/c1-17(2)12-25(27(37)13-19(5)28(38)33-16-18(3)4)34-30(40)26(14-20-6-9-22(10-7-20)36(41)42)35-29(39)23-11-8-21(31)15-24(23)32/h6-11,15,17-19,25-27,37H,12-14,16H2,1-5H3,(H,33,38)(H,34,40)(H,35,39)/t19-,25+,26+,27+/m1/s1 PLXGPPVMTPLQQX-QVKLTZRHSA-N 50316863 2,4-dichloro-N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl)benzamide::CHEMBL1099025 Beta-secretase 1 Homo sapiens 4240 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205733 104151224 CHEMBL1099025 ZINC49784978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161988 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C InChI=1S/C34H58N4O6/c1-21(2)16-26(29(39)18-24(7)30(40)35-20-23(5)6)36-32(42)28(19-25-14-12-11-13-15-25)37-31(41)27(17-22(3)4)38-33(43)44-34(8,9)10/h11-15,21-24,26-29,39H,16-20H2,1-10H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t24-,26+,27+,28+,29+/m1/s1 QOCDRKDIKYEXFE-QDXQZTBOSA-N 50316864 CHEMBL1099361::[(2R,4S,5S)-5-(N-Boc-L-leucyl-L-phenylalanylamido)-4-hydroxy-2,7-dimethyloctal]N'-isobutyl amide Beta-secretase 1 Homo sapiens 2310 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205737 104151225 CHEMBL1099361 ZINC49803063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161989 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 InChI=1S/C34H45N3O4/c1-22(2)18-29(31(38)19-24(5)32(39)35-21-23(3)4)36-34(41)30(20-25-12-7-6-8-13-25)37-33(40)28-17-11-15-26-14-9-10-16-27(26)28/h6-17,22-24,29-31,38H,18-21H2,1-5H3,(H,35,39)(H,36,41)(H,37,40)/t24-,29+,30+,31+/m1/s1 VGVWFSMQDLHFAR-MOBIUZRASA-N 50316867 CHEMBL1086716::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-naphthamide Beta-secretase 1 Homo sapiens 4670 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46204763 104151228 CHEMBL1086716 ZINC49777435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161990 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C30H42N4O6/c1-19(2)15-25(27(35)16-21(5)28(36)31-18-20(3)4)32-30(38)26(17-22-9-7-6-8-10-22)33-29(37)23-11-13-24(14-12-23)34(39)40/h6-14,19-21,25-27,35H,15-18H2,1-5H3,(H,31,36)(H,32,38)(H,33,37)/t21-,25+,26+,27+/m1/s1 DJFBJFNKECFROO-FBZFJNBBSA-N 50316866 CHEMBL1087736::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-1-oxo-3-phenylpropan-2-yl)-4-nitrobenzamide Beta-secretase 1 Homo sapiens 15730 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46204458 104151227 CHEMBL1087736 ZINC49793666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161991 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 InChI=1S/C31H43N3O6/c1-19(2)13-24(26(35)14-21(5)29(36)32-17-20(3)4)33-31(38)25(15-22-9-7-6-8-10-22)34-30(37)23-11-12-27-28(16-23)40-18-39-27/h6-12,16,19-21,24-26,35H,13-15,17-18H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t21-,24+,25+,26+/m1/s1 IQPYOACTPZONCR-NDEVUPSOSA-N 50316858 CHEMBL1088138::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-1-oxo-3-phenylpropan-2-yl)benzo[d][1,3]dioxole-5-carboxamide Beta-secretase 1 Homo sapiens 8070 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46204764 104151219 CHEMBL1088138 ZINC49777716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161992 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F InChI=1S/C33H44F3N3O4/c1-21(2)17-27(29(40)18-23(5)31(42)37-20-22(3)4)39-32(43)28(19-25-9-7-6-8-10-25)38-30(41)16-13-24-11-14-26(15-12-24)33(34,35)36/h6-16,21-23,27-29,40H,17-20H2,1-5H3,(H,37,42)(H,38,41)(H,39,43)/b16-13+/t23-,27+,28+,29+/m1/s1 IUNZFUUAUQCURY-QCUZZJFWSA-N 50316859 CHEMBL1098682::[(2R,4S,5S)-5-[N-(4-trifluoromethyl)benzoyl-L-phenylalanylamido]-4-hydroxy-2,7-dimethyloctal]N'-isobutyl amide Beta-secretase 1 Homo sapiens 19540 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16741878 104151220 CHEMBL1098682 ZINC49784269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161993 COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C InChI=1S/C32H46N4O8/c1-19(2)14-25(27(37)15-21(5)30(38)33-18-20(3)4)34-32(40)26(16-22-8-11-24(12-9-22)36(41)42)35-31(39)23-10-13-28(43-6)29(17-23)44-7/h8-13,17,19-21,25-27,37H,14-16,18H2,1-7H3,(H,33,38)(H,34,40)(H,35,39)/t21-,25+,26+,27+/m1/s1 GGHVXVYDMPZKPU-FBZFJNBBSA-N 50316862 CHEMBL1099023::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl)-3,4-dimethoxybenzamide Beta-secretase 1 Homo sapiens 3810 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205409 104151223 CHEMBL1099023 ZINC49784470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161994 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 InChI=1S/C30H43N3O4/c1-20(2)16-25(27(34)17-22(5)28(35)31-19-21(3)4)32-30(37)26(18-23-12-8-6-9-13-23)33-29(36)24-14-10-7-11-15-24/h6-15,20-22,25-27,34H,16-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t22-,25+,26+,27+/m1/s1 OGTQHYNUUOXINS-IKPAXAHWSA-N 50316865 CHEMBL1087609::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-1-oxo-3-phenylpropan-2-yl)benzamide Beta-secretase 1 Homo sapiens 6930 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46204457 104151226 CHEMBL1087609 ZINC49793589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161995 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F InChI=1S/C33H43F3N4O6/c1-20(2)16-27(29(41)17-22(5)31(43)37-19-21(3)4)39-32(44)28(18-24-8-13-26(14-9-24)40(45)46)38-30(42)15-10-23-6-11-25(12-7-23)33(34,35)36/h6-15,20-22,27-29,41H,16-19H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/b15-10+/t22-,27+,28+,29+/m1/s1 XYHYWMDSXZCEJI-OHTHYCLXSA-N 50316860 (2R,4S,5S)-4-hydroxy-N-isobutyl-2,7-dimethyl-5-((S)-3-(4-nitrophenyl)-2-(3-(4-(trifluoromethyl)phenyl)acrylamido)propanamido)octanamide::CHEMBL1099021 Beta-secretase 1 Homo sapiens 3790 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205407 104151221 CHEMBL1099021 ZINC49792459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161996 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C30H41N5O8/c1-18(2)14-25(27(36)15-20(5)28(37)31-17-19(3)4)32-30(39)26(16-21-6-10-23(11-7-21)34(40)41)33-29(38)22-8-12-24(13-9-22)35(42)43/h6-13,18-20,25-27,36H,14-17H2,1-5H3,(H,31,37)(H,32,39)(H,33,38)/t20-,25+,26+,27+/m1/s1 OZXAUNWWVJYQMW-FLXBVFITSA-N 50316861 CHEMBL1099022::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl)-4-nitrobenzamide Beta-secretase 1 Homo sapiens 2640 ChEMBL 10.1016/j.ejmech.2010.01.044 10.7270/Q2CF9Q86 20153560 Niu, Y; Wang, Y; Zou, X; Yang, X; Ma, C; Lu, Y; Zhou, B; Yuan, Y; Du, G; Xu, P Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205408 104151222 CHEMBL1099022 ZINC49792460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161997 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1 XKXGRRZAMDHVGR-CPCREDONSA-N 50271626 CHEMBL509210::N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 316 3CIC 24808497 104116347 CHEMBL509210 ZINC24975929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161998 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C34H41ClF2N4O5S/c1-4-11-40(12-5-2)34(44)25-15-22(3)14-24(19-25)33(43)39-30(18-23-16-27(36)20-28(37)17-23)32(42)31-21-41(13-10-38-31)47(45,46)29-8-6-26(35)7-9-29/h6-9,14-17,19-20,30-32,38,42H,4-5,10-13,18,21H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1 UGPIQABPMNKODT-QAXCHELISA-N 50317031 CHEMBL1097325::N1-((1S,2S)-1-((R)-4-(4-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888936 104151392 CHEMBL1097325 ZINC49783807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162005 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(OC)c1 InChI=1S/C35H44F2N4O6S/c1-5-11-40(12-6-2)35(44)26-15-23(3)14-25(19-26)34(43)39-31(18-24-16-27(36)20-28(37)17-24)33(42)32-22-41(13-10-38-32)48(45,46)30-9-7-8-29(21-30)47-4/h7-9,14-17,19-21,31-33,38,42H,5-6,10-13,18,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 USGZVKLJVKRSOK-DSPMFFIESA-N 50317032 CHEMBL1097326::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(3-methoxyphenylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 440 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888937 104151393 CHEMBL1097326 ZINC49784518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162010 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 InChI=1S/C34H41ClF2N4O5S/c1-4-10-40(11-5-2)34(44)25-14-22(3)13-24(18-25)33(43)39-30(17-23-15-27(36)20-28(37)16-23)32(42)31-21-41(12-9-38-31)47(45,46)29-8-6-7-26(35)19-29/h6-8,13-16,18-20,30-32,38,42H,4-5,9-12,17,21H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1 KTTSFFUKOFPITO-QAXCHELISA-N 50317030 CHEMBL1097324::N1-((1S,2S)-1-((R)-4-(3-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888935 104151391 CHEMBL1097324 ZINC49784422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162012 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C35H44F2N4O5S/c1-5-11-40(12-6-2)35(44)27-15-24(4)14-26(20-27)34(43)39-31(19-25-17-28(36)21-29(37)18-25)33(42)32-22-41(13-10-38-32)47(45,46)30-9-7-8-23(3)16-30/h7-9,14-18,20-21,31-33,38,42H,5-6,10-13,19,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 PHORKLGJZXCIDK-DSPMFFIESA-N 50317027 CHEMBL1097321::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11700321 104151388 CHEMBL1097321 ZINC49802165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162021 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C35H44F2N4O5S/c1-5-12-40(13-6-2)35(44)27-16-24(4)15-26(20-27)34(43)39-31(19-25-17-28(36)21-29(37)18-25)33(42)32-22-41(14-11-38-32)47(45,46)30-9-7-23(3)8-10-30/h7-10,15-18,20-21,31-33,38,42H,5-6,11-14,19,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 JYPSWKIBLIGHIH-DSPMFFIESA-N 50317028 CHEMBL1097322::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-tosylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888933 104151389 CHEMBL1097322 ZINC49793336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162045 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1C InChI=1S/C35H44F2N4O5S/c1-5-12-40(13-6-2)35(44)27-16-23(3)15-26(20-27)34(43)39-30(19-25-17-28(36)21-29(37)18-25)33(42)31-22-41(14-11-38-31)47(45,46)32-10-8-7-9-24(32)4/h7-10,15-18,20-21,30-31,33,38,42H,5-6,11-14,19,22H2,1-4H3,(H,39,43)/t30-,31+,33-/m0/s1 ZDGZBDSYGPHAJS-PZWMIYICSA-N 50317026 CHEMBL1097320::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(o-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888932 104151387 CHEMBL1097320 ZINC49783806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163036 CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(O)=O)ccc12 InChI=1S/C19H22N2O7/c1-3-4-12-7-18(26)28-19-11(2)14(6-5-13(12)19)27-10-16(23)20-8-15(22)21-9-17(24)25/h5-7H,3-4,8-10H2,1-2H3,(H,20,23)(H,21,22)(H,24,25) HSQBZWPTTASABT-UHFFFAOYSA-N 50320640 2-(2-(2-(8-methyl-2-oxo-4-propyl-2H-chromen-7-yloxy)acetamido)acetamido)acetic acid::CHEMBL1165549 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1798772 104142169 CHEMBL1165549 ZINC02146550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163039 Cc1c(O)ccc2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc12 InChI=1S/C19H23N3O7/c1-9-11-5-6-14(23)10(2)16(11)29-18(27)12(9)8-15(24)22-13(17(25)26)4-3-7-21-19(20)28/h5-6,13,23H,3-4,7-8H2,1-2H3,(H,22,24)(H,25,26)(H3,20,21,28)/t13-/m1/s1 LUUPOQLDMIDQGP-CYBMUJFWSA-N 50320639 (R)-2-(2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)-5-ureidopentanoic acid::CHEMBL1163846 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24280464 104142168 CHEMBL1163846 ZINC11865459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163042 CCc1cc(=O)oc2c(C)c(OC(=O)NCC(=O)NCC(O)=O)ccc12 InChI=1S/C17H18N2O7/c1-3-10-6-15(23)26-16-9(2)12(5-4-11(10)16)25-17(24)19-7-13(20)18-8-14(21)22/h4-6H,3,7-8H2,1-2H3,(H,18,20)(H,19,24)(H,21,22) NRAFYXBZHCSKNH-UHFFFAOYSA-N 50320638 2-(2-((4-ethyl-8-methyl-2-oxo-2H-chromen-7-yloxy)carbonylamino)acetamido)acetic acid::CHEMBL1164314 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906988 104142167 CHEMBL1164314 ZINC49808276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163043 CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1 InChI=1S/C22H30N4O5S/c1-16-4-2-3-8-25(16)9-7-23-22(28)19-15-21(27)24-20-6-5-17(14-18(19)20)32(29,30)26-10-12-31-13-11-26/h5-6,14-16H,2-4,7-13H2,1H3,(H,23,28)(H,24,27) UGQUCVVGSDRFLR-UHFFFAOYSA-N 50320657 CHEMBL1165356::N-(2-(2-methylpiperidin-1-yl)ethyl)-6-(morpholinosulfonyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907117 104142186 CHEMBL1165356 ZINC49803284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163045 Cc1ccc(NC(=O)c2cc(NC(=O)CCCC(O)=O)ccc2N2CCOCC2)cc1 InChI=1S/C23H27N3O5/c1-16-5-7-17(8-6-16)25-23(30)19-15-18(24-21(27)3-2-4-22(28)29)9-10-20(19)26-11-13-31-14-12-26/h5-10,15H,2-4,11-14H2,1H3,(H,24,27)(H,25,30)(H,28,29) RWESPUADCPFUCC-UHFFFAOYSA-N 50320678 5-(4-morpholino-3-(p-tolylcarbamoyl)phenylamino)-5-oxopentanoic acid::CHEMBL1164329 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4565067 104142207 CHEMBL1164329 ZINC06389321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163048 Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCc2ccccc2C1)C(=O)NCCc1ccccc1 InChI=1S/C27H25N3O4S/c31-26-23-16-22(35(33,34)30-15-13-20-8-4-5-9-21(20)18-30)10-11-25(23)29-17-24(26)27(32)28-14-12-19-6-2-1-3-7-19/h1-11,16-17H,12-15,18H2,(H,28,32)(H,29,31) YWRYEYSKFQNSQZ-UHFFFAOYSA-N 50320656 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4-oxo-N-phenethyl-1,4-dihydroquinoline-3-carboxamide::CHEMBL1164697 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23769141 104142185 CHEMBL1164697 ZINC49807951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163050 Clc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)c(c1)C(=O)c1ccccc1 InChI=1S/C34H22BrClN4O2/c35-24-13-17-29-27(19-24)31(21-7-3-1-4-8-21)40-34(39-29)37-26-15-11-23(12-16-26)33(42)38-30-18-14-25(36)20-28(30)32(41)22-9-5-2-6-10-22/h1-20H,(H,38,42)(H,37,39,40) FGNSDKZPVHGISK-UHFFFAOYSA-N 50320677 CHEMBL1163218::N-(2-benzoyl-4-chlorophenyl)-4-(6-bromo-4-phenylquinazolin-2-ylamino)benzamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4131129 104142206 CHEMBL1163218 ZINC58609729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163051 CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)C(=O)NCc1cc(F)cc(Cl)c1 InChI=1S/C22H17Cl2FN2O2S/c1-13(28)27-20-10-15(2-7-21(20)30-19-5-3-16(23)4-6-19)22(29)26-12-14-8-17(24)11-18(25)9-14/h2-11H,12H2,1H3,(H,26,29)(H,27,28) PHHWJMQVMJFEHK-UHFFFAOYSA-N 50320655 3-acetamido-N-(3-chloro-5-fluorobenzyl)-4-(4-chlorophenylthio)benzamide::CHEMBL1163953 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907116 104142184 CHEMBL1163953 ZINC49802570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163052 CCSc1scc(CC)c1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1 InChI=1S/C26H30BrN3O2S2/c1-6-15-13-34-25(33-7-2)21(15)23-20(24(32)30-19-9-8-16(27)12-28-19)14(3)29-17-10-26(4,5)11-18(31)22(17)23/h8-9,12-13,22-23H,6-7,10-11H2,1-5H3,(H,28,30,32) AZSJLQDDYMOPPW-UHFFFAOYSA-N 50320676 CHEMBL1164239::N-(5-bromopyridin-2-yl)-4-(4-ethyl-2-(ethylthio)thiophen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933481 104142205 CHEMBL1164239 ZINC49807377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163053 FC(F)(F)c1cc(NC(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)ccc1Cl InChI=1S/C19H14ClF3N2O3S2/c20-15-9-8-13(11-14(15)19(21,22)23)24-18(26)17(12-5-2-1-3-6-12)25-30(27,28)16-7-4-10-29-16/h1-11,17,25H,(H,24,26) OAXXQDCSGSIWDK-UHFFFAOYSA-N 50320675 CHEMBL1164238::N-(4-chloro-3-(trifluoromethyl)phenyl)-2-phenyl-2-(thiophene-2-sulfonamido)acetamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 22427309 104142204 CHEMBL1164238 ZINC20137158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163054 CN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1 InChI=1S/C24H28N4O5S/c1-17-4-3-5-18(14-17)27(2)34(31,32)19-6-7-22-20(15-19)23(29)21(16-26-22)24(30)25-8-9-28-10-12-33-13-11-28/h3-7,14-16H,8-13H2,1-2H3,(H,25,30)(H,26,29) HPBHCRXYZNPBMD-UHFFFAOYSA-N 50320674 6-(N-methyl-N-m-tolylsulfamoyl)-N-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide::CHEMBL1163703 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4652689 104142203 CHEMBL1163703 ZINC49832335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163055 Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)C[n+]2cccc(c2)C(=O)NCCc2ccccc2)c1 InChI=1S/C30H28N4O3/c1-22-12-14-24(15-13-22)30(37)33-27-11-5-10-26(19-27)32-28(35)21-34-18-6-9-25(20-34)29(36)31-17-16-23-7-3-2-4-8-23/h2-15,18-20H,16-17,21H2,1H3,(H2-,31,32,33,35,36,37)/p+1 CMNCNSZFLFEPPX-UHFFFAOYSA-O 50320698 1-{[3-(4-Methyl-benzoylamino)-phenylcarbamoyl]-methyl}-3-phenethylcarbamoyl-pyridiniumchloride::CHEMBL1164187 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906994 104142227 CHEMBL1164187 ZINC49803488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163057 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33) BCYCHJAJECYNPU-UHFFFAOYSA-N 16725 CHEMBL380521::N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3c Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11496999 46516945 CHEMBL380521 ZINC14961995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163060 Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc2cc(O)ccc12 InChI=1S/C18H21N3O7/c1-9-11-5-4-10(22)7-14(11)28-17(26)12(9)8-15(23)21-13(16(24)25)3-2-6-20-18(19)27/h4-5,7,13,22H,2-3,6,8H2,1H3,(H,21,23)(H,24,25)(H3,19,20,27)/t13-/m1/s1 DLSPEGRJURWCRI-CYBMUJFWSA-N 50320642 (R)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-5-ureidopentanoic acid::CHEMBL1164009 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24280127 104142171 CHEMBL1164009 ZINC11867572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163063 Cc1cc(O)c2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc2c1 InChI=1S/C19H23N3O7/c1-9-6-13(23)16-10(2)11(18(27)29-14(16)7-9)8-15(24)22-12(17(25)26)4-3-5-21-19(20)28/h6-7,12,23H,3-5,8H2,1-2H3,(H,22,24)(H,25,26)(H3,20,21,28)/t12-/m1/s1 IGODCUREOYTJPM-GFCCVEGCSA-N 50320641 (R)-2-(2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)-5-ureidopentanoic acid::CHEMBL1163263 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24280444 104142170 CHEMBL1163263 ZINC11865442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163065 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 InChI=1S/C23H24BrN3O2/c24-18-8-9-22(27-12-10-26(11-13-27)14-15-28)21(16-18)25-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,28H,10-15H2,(H,25,29) ZCKPVEIERKHFSL-UHFFFAOYSA-N 16727 N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}naphthalene-1-carboxamide::Naphthyl Compound, 3e Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11676832 46516947 ZINC14962003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163068 COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)cc(Br)c1O InChI=1S/C21H22BrN7O3/c1-31-17-12-14(11-16(22)18(17)30)13-23-28-20-25-19(24-15-5-3-2-4-6-15)26-21(27-20)29-7-9-32-10-8-29/h2-6,11-12,30H,7-10,13H2,1H3,(H,24,25,26,27) YAAMKPREFKNKDW-UHFFFAOYSA-N 50320605 2-bromo-6-methoxy-4-((2-(4-morpholino-6-(phenylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)phenol::CHEMBL1164617 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933460 104142134 CHEMBL1164617 ZINC15135241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163069 Cc1cc(Br)c(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(I)cc(C)c3O)n2)cc1Cl InChI=1S/C23H24BrClIN7O2/c1-13-8-17(24)19(10-18(13)25)28-22-29-20(12-33-3-5-35-6-4-33)30-23(31-22)32-27-11-15-9-16(26)7-14(2)21(15)34/h7-10,34H,3-6,11-12H2,1-2H3,(H,28,29,30,31) JMRADFMIAGYYKK-UHFFFAOYSA-N 50320604 2-((2-(4-(2-bromo-5-chloro-4-methylphenylamino)-6-(morpholinomethyl)-1,3,5-triazin-2-yl)hydrazono)methyl)-4-iodo-6-methylphenol::CHEMBL1164128 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933459 104142133 CHEMBL1164128 ZINC49808492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163071 Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)C[n+]2ccccc2)c1 InChI=1S/C21H19N3O2/c1-16-8-10-17(11-9-16)21(26)23-19-7-5-6-18(14-19)22-20(25)15-24-12-3-2-4-13-24/h2-14H,15H2,1H3,(H-,22,23,25,26)/p+1 BKVAIARBOICYHE-UHFFFAOYSA-O 50320692 1{[3-(4-Methyl-benzoylamino)-phenylcarbamoyl]-methyl}-pyridiniumchloride::CHEMBL1164640 Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906872 104142221 CHEMBL1164640 ZINC49807722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163073 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cc2ccccc2oc1=O InChI=1S/C26H23N3O3/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29/h1-11,16-17,27H,12-15H2,(H,28,30) KHDMWLZSDRWJGD-UHFFFAOYSA-N 16750 2,2,2-trifluoroacetic acid; 2-oxo-N-[5-phenyl-2-(piperazin-1-yl)phenyl]-2H-chromene-3-carboxamide::CHEMBL1164612::Coumarin Compound, 11d Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11699482 46516970 CHEMBL1164612 ZINC14962101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163075 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(C=C)C=C)c1ccccc1 InChI=1S/C27H34N4O4/c1-4-31(5-2)27(34)23-16-22(26(33)30-20(3)21-12-8-6-9-13-21)17-24(18-23)35-19-25(32)29-15-11-7-10-14-28/h4-6,8-9,12-13,16-18,20H,1-2,7,10-11,14-15,19,28H2,3H3,(H,29,32)(H,30,33)/t20-/m1/s1 RLNWQVWXGJPQAO-HXUWFJFHSA-N 50320632 (R)-5-(2-(5-aminopentylamino)-2-oxoethoxy)-N1-(1-phenylethyl)-N3,N3-divinylisophthalamide::CHEMBL1163547 Beta-secretase 1 Homo sapiens 25000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906870 104142161 CHEMBL1163547 ZINC49772272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163076 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C31H37FN4O5S/c1-20(22-9-11-25(32)12-10-22)34-30(38)23-16-24(18-27(17-23)36(2)42(3,40)41)31(39)35-28(15-21-7-5-4-6-8-21)29(37)19-33-26-13-14-26/h4-12,16-18,20,26,28-29,33,37H,13-15,19H2,1-3H3,(H,34,38)(H,35,39)/t20-,28+,29-/m1/s1 MVZMAKPUNIWJGT-IEXUNWISSA-N 16409 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 10 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11410816 46516649 ZINC14961372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163079 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O InChI=1S/C30H37FN4O5S/c1-5-32-19-28(36)27(15-21-9-7-6-8-10-21)34-30(38)24-16-23(17-26(18-24)35(3)41(4,39)40)29(37)33-20(2)22-11-13-25(31)14-12-22/h6-14,16-18,20,27-28,32,36H,5,15,19H2,1-4H3,(H,33,37)(H,34,38)/t20-,27+,28-/m1/s1 BSKMMOMBNBKWTC-JTOILGAVSA-N 16411 1-N-[(2S,3R)-4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 12 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11421906 46516651 ZINC14961379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163080 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)C)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C32H41FN4O5S/c1-21(23-12-14-26(33)15-13-23)35-30(39)24-17-25(19-27(18-24)37(5)43(6,41)42)31(40)36-28(16-22-10-8-7-9-11-22)29(38)20-34-32(2,3)4/h7-15,17-19,21,28-29,34,38H,16,20H2,1-6H3,(H,35,39)(H,36,40)/t21-,28+,29-/m1/s1 BILACAQKFWZXQE-SPTGULJVSA-N 16412 1-N-[(2S,3R)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 13 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11342515 46516652 ZINC14961383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163082 NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2N=C1CN1CCOCC1 InChI=1S/C21H24BrN5O2/c22-16-6-7-18-17(12-16)21(15-4-2-1-3-5-15)27(14-20(28)25-23)19(24-18)13-26-8-10-29-11-9-26/h1-7,12,21H,8-11,13-14,23H2,(H,25,28) LUZRDNKIFQMWFR-UHFFFAOYSA-N 50320661 2-(6-bromo-2-(morpholinomethyl)-4-phenylquinazolin-3(4H)-yl)acetohydrazide::CHEMBL1165812 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2870407 104142190 CHEMBL1165812 ZINC19418709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163086 Clc1ccc(CCNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc34)CC2)cc1 InChI=1S/C24H27ClN4OS/c25-19-11-7-16(8-12-19)13-14-26-23(30)18-9-5-17(6-10-18)15-27-22-20-3-1-2-4-21(20)28-24(31)29-22/h1-4,7-8,11-12,17-18H,5-6,9-10,13-15H2,(H,26,30)(H2,27,28,29,31) NFBVEMGVKJRFLK-UHFFFAOYSA-N 50320660 CHEMBL1165197::N-(4-chlorophenethyl)-4-((2-thioxo-1,2-dihydroquinazolin-4-ylamino)methyl)cyclohexanecarboxamide::cid_4112670 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4112670 104142189 CHEMBL1165197 ZINC13496846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163087 NC(=O)c1ccc[n+](CC(=O)Nc2cccc(c2)C(=O)Nc2ccc(Cl)cc2)c1 InChI=1S/C21H17ClN4O3/c22-16-6-8-17(9-7-16)25-21(29)14-3-1-5-18(11-14)24-19(27)13-26-10-2-4-15(12-26)20(23)28/h1-12H,13H2,(H3-,23,24,25,27,28,29)/p+1 SUBXQVGRASWGDA-UHFFFAOYSA-O 50320693 3-Carbamoyl-1-{[3-(4-chloro-phenylcarbamoyl)-phenylcarbamoyl]-methyl}-pyridiniumchloride::CHEMBL1164543 Beta-secretase 1 Homo sapiens 30200 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906880 104142222 CHEMBL1164543 ZINC49808174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163088 COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2cccc(C)n2)c2ccccc2c1=O InChI=1S/C24H20ClN5O4/c1-14-6-5-9-20(27-14)28-21(31)13-26-23(32)22-16-7-3-4-8-17(16)24(33)30(29-22)15-10-11-19(34-2)18(25)12-15/h3-12H,13H2,1-2H3,(H,26,32)(H,27,28,31) GOAKLHOFXCKNOE-UHFFFAOYSA-N 50320659 3-(3-chloro-4-methoxyphenyl)-N-(2-(6-methylpyridin-2-ylamino)-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide::CHEMBL1165196 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15995071 104142188 CHEMBL1165196 ZINC09776015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163091 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33FN4O5S/c1-18(20-9-11-23(29)12-10-20)31-27(35)21-14-22(16-24(15-21)33(2)39(3,37)38)28(36)32-25(26(34)17-30)13-19-7-5-4-6-8-19/h4-12,14-16,18,25-26,34H,13,17,30H2,1-3H3,(H,31,35)(H,32,36)/t18-,25+,26-/m1/s1 ASSLNEHQIJFAJZ-YKQNXRHISA-N 16410 1-N-[(2S,3R)-4-amino-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzene-1,3-dicarboxamide::hydroxyethylamine containing compound 11 Beta-secretase 1 Homo sapiens 23000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11376341 46516650 ZINC14961376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163092 CC(C)c1ccc(cc1)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)n1 InChI=1S/C24H25N5O2S2/c1-15(2)18-5-7-19(8-6-18)22-14-32-24(28-22)27-20-9-11-21(12-10-20)33(30,31)29-23-25-16(3)13-17(4)26-23/h5-15H,1-4H3,(H,27,28)(H,25,26,29) FPTFXAIGPHUIBV-UHFFFAOYSA-N 50320658 CHEMBL1164618::N-(4,6-dimethylpyrimidin-2-yl)-4-(4-(4-isopropylphenyl)thiazol-2-ylamino)benzenesulfonamide Beta-secretase 1 Homo sapiens 1000000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4310580 104142187 CHEMBL1164618 ZINC09113595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163093 NC(=O)c1ccc[n+](CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 InChI=1S/C21H18N4O3/c22-20(27)16-8-5-11-25(13-16)14-19(26)23-17-9-4-10-18(12-17)24-21(28)15-6-2-1-3-7-15/h1-13H,14H2,(H3-,22,23,24,26,27,28)/p+1 NXEUOLCJADJFMC-UHFFFAOYSA-O 50320695 1-[(3-Benzoylamino-phenylcarbamoyl)-methyl]3-carbamoyl-pyridiniumchloride::CHEMBL1164644 Beta-secretase 1 Homo sapiens 44700 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906918 104142224 CHEMBL1164644 ZINC49807841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163095 COc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(N)=O)c2)cc1 InChI=1S/C22H20N4O4/c1-30-19-9-7-17(8-10-19)25-22(29)15-4-2-6-18(12-15)24-20(27)14-26-11-3-5-16(13-26)21(23)28/h2-13H,14H2,1H3,(H3-,23,24,25,27,28,29)/p+1 CWMGOSWEOUVWQO-UHFFFAOYSA-O 50320694 3-Carbamoyl-1-{[3-(4-methoxy-phenylcarbamoyl)-phenylcarbamoyl]-methyl}-pyridiniumchloride::CHEMBL1164643 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906916 104142223 CHEMBL1164643 ZINC49807840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163096 C[C@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 InChI=1S/C29H35N3O6S/c1-22(24-13-7-3-8-14-24)32-29(34)25-17-26(37-20-28(33)31-16-10-4-9-15-30)19-27(18-25)38-39(35,36)21-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-19,22H,4,9-10,15-16,20-21,30H2,1H3,(H,31,33)(H,32,34)/t22-/m0/s1 VRFDWCQNOBGUBX-QFIPXVFZSA-N 16045 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-{[(1S)-1-phenylethyl]carbamoyl}phenyl 1-phenylmethanesulfonate::oxyacetamide 4 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647287 46516312 ZINC14960461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163097 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163100 CCOc1cc(cc(Br)c1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)OCc1ccccc1 InChI=1S/C28H30BrNO5/c1-5-34-22-12-18(11-19(29)26(22)32)24-23(27(33)35-15-17-9-7-6-8-10-17)16(2)30-20-13-28(3,4)14-21(31)25(20)24/h6-12,24-25,32H,5,13-15H2,1-4H3 OKJPVSHHXGHYDT-UHFFFAOYSA-N 50320673 CHEMBL1163700::benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78445396 104142202 CHEMBL1163700 ZINC04067426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163103 CSc1ccc(cc1)C(O)C(CO)NC(=O)c1cc2C(=O)CC(C)(C)Cc2n(-c2ccc(Cl)cc2)c1=O InChI=1S/C28H29ClN2O5S/c1-28(2)13-23-20(24(33)14-28)12-21(27(36)31(23)18-8-6-17(29)7-9-18)26(35)30-22(15-32)25(34)16-4-10-19(37-3)11-5-16/h4-12,22,25,32,34H,13-15H2,1-3H3,(H,30,35) ARMMLECMIRGCII-UHFFFAOYSA-N 50320672 1-(4-chlorophenyl)-N-(1,3-dihydroxy-1-(4-(methylthio)phenyl)propan-2-yl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide::CHEMBL1163651 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 22331258 104142201 CHEMBL1163651 ZINC49816802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163105 CCN1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1 InChI=1S/C24H28ClN5O2S/c1-2-28-11-13-29(14-12-28)10-9-26-22(31)18-5-8-20-21(15-18)27-24(33)30(23(20)32)16-17-3-6-19(25)7-4-17/h3-8,15H,2,9-14,16H2,1H3,(H,26,31)(H,27,33) UIYUJWUIUSNNKI-UHFFFAOYSA-N 50320671 3-(4-chlorobenzyl)-N-(2-(4-ethylpiperazin-1-yl)ethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide::CHEMBL1163648 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6616205 104142200 CHEMBL1163648 ZINC20644056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163110 Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1 InChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26) SWKYODCETJXWLS-UHFFFAOYSA-N 16726 CHEMBL203120::N-[5-bromo-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 3d Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11531641 46516946 CHEMBL203120 ZINC14961999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168355 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/m0/s1 HDMDKNWBBJEOCB-LOSJGSFVSA-N 50302839 CHEMBL570556::N-((2S,3R)-4-(4-(3-tert-butylphenyl)tetrahydro-2H-pyran-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10005121 104157200 CHEMBL570556 ZINC45256893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168356 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 RJXIEHBFRZLGTH-IZZNHLLZSA-N 50302841 CHEMBL571860::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1LI 3IVH 11754571 104157202 CHEMBL571860 ZINC36413296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168357 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 QXNFPOMRKODYSK-IZZNHLLZSA-N 50302838 CHEMBL572081::N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 842 3N4L,4I0J 45486979 104157199 CHEMBL572081 ZINC45286908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168358 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,27+/m0/s1 MERCNGFJQWZGEA-NYRYZVAPSA-N 50323493 CHEMBL1209106::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-3-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927945 117644814 CHEMBL1209106 ZINC62224461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168361 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C1CCOC1 InChI=1S/C27H34F2N2O4/c1-18(32)31-25(13-19-11-23(28)15-24(29)12-19)26(33)16-30-27(6-9-34-10-7-27)22-4-2-3-20(14-22)21-5-8-35-17-21/h2-4,11-12,14-15,21,25-26,30,33H,5-10,13,16-17H2,1H3,(H,31,32)/t21?,25-,26+/m0/s1 KBLUIKVYUUMQFP-PBTPRMJDSA-N 50328785 CHEMBL1269841::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(4-(3-(tetrahydrofuran-3-yl)phenyl)tetrahydro-2H-pyran-4-ylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942282 123107900 CHEMBL1269841 ZINC64512228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168362 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 InChI=1S/C26H30F2N4O3/c1-18(33)31-24(14-19-12-21(27)16-22(28)13-19)25(34)17-29-26(6-10-35-11-7-26)20-4-2-5-23(15-20)32-9-3-8-30-32/h2-5,8-9,12-13,15-16,24-25,29,34H,6-7,10-11,14,17H2,1H3,(H,31,33)/t24-,25+/m0/s1 UDAQMKVSZXLZGC-LOSJGSFVSA-N 50328786 CHEMBL1269840::N-((2S,3R)-4-(4-(3-(1H-pyrazol-1-yl)phenyl)tetrahydro-2H-pyran-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948341 123107901 CHEMBL1269840 ZINC64513461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168363 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)(C)C InChI=1S/C25H34F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(5,6)19-9-7-8-18(13-19)24(2,3)4/h7-11,13-14,22-23,28,31H,12,15H2,1-6H3,(H,29,30)/t22-,23+/m0/s1 LDGMEHDJYJLXOB-XZOQPEGZSA-N 50328783 CHEMBL1269949::N-((2S,3R)-4-(2-(3-tert-butylphenyl)propan-2-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944685 123107898 CHEMBL1269949 ZINC64526871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168364 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(c1)C(C)(C)C InChI=1S/C23H30F2N2O2/c1-15(28)27-21(11-17-9-19(24)12-20(25)10-17)22(29)14-26-13-16-6-5-7-18(8-16)23(2,3)4/h5-10,12,21-22,26,29H,11,13-14H2,1-4H3,(H,27,28)/t21-,22+/m0/s1 GUUXSDASFBPWFQ-FCHUYYIVSA-N 50328784 CHEMBL1269948::N-((2S,3R)-4-(3-tert-butylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52944055 123107899 CHEMBL1269948 ZINC64526870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168372 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(CF)CF InChI=1S/C25H30F4N2O2/c1-16(32)31-22(10-17-8-20(28)12-21(29)9-17)23(33)13-30-25(6-7-25)19-5-3-4-18(11-19)24(2,14-26)15-27/h3-5,8-9,11-12,22-23,30,33H,6-7,10,13-15H2,1-2H3,(H,31,32)/t22-,23+/m0/s1 SMTZXKMQADBRPC-XZOQPEGZSA-N 50328777 CHEMBL1270363::N-((2S,3R)-4-(1-(3-(1,3-difluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949507 123107892 CHEMBL1270363 ZINC64527530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168373 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1 SXBWNENFIQGMLK-FCHUYYIVSA-N 50328778 CHEMBL1270362::N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49831178 123107893 CHEMBL1270362 ZINC34947294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168374 C[C@@H]1C[C@]1(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C(F)F InChI=1S/C26H32F4N2O2/c1-15-13-26(15,19-7-5-6-18(11-19)25(3,4)24(29)30)31-14-23(34)22(32-16(2)33)10-17-8-20(27)12-21(28)9-17/h5-9,11-12,15,22-24,31,34H,10,13-14H2,1-4H3,(H,32,33)/t15-,22+,23-,26-/m1/s1 QGKXETIHOAJKQD-LUQKAGKMSA-N 50328775 CHEMBL1270459::N-((2S,3R)-4-((1R,2R)-1-(3-(1,1-difluoro-2-methylpropan-2-yl)phenyl)-2-methylcyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52943337 123107890 CHEMBL1270459 ZINC64527894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168375 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)CF InChI=1S/C25H31F3N2O2/c1-16(31)30-22(11-17-9-20(27)13-21(28)10-17)23(32)14-29-25(7-8-25)19-6-4-5-18(12-19)24(2,3)15-26/h4-6,9-10,12-13,22-23,29,32H,7-8,11,14-15H2,1-3H3,(H,30,31)/t22-,23+/m0/s1 BOKNVVDKNIATDN-XZOQPEGZSA-N 50328779 CHEMBL1270263::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-(1-fluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942135 123107894 CHEMBL1270263 ZINC64528471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168376 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1 InChI=1S/C23H32F2N4O2/c1-15(30)28-20(9-16-7-18(24)10-19(25)8-16)21(31)12-26-23(5-6-23)17-11-27-29(13-17)14-22(2,3)4/h7-8,10-11,13,20-21,26,31H,5-6,9,12,14H2,1-4H3,(H,28,30)/t20-,21+/m0/s1 VGPRQBUXKLBDJH-LEWJYISDSA-N 50328061 CHEMBL1258002::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-4-yl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52946886 123107176 CHEMBL1258002 ZINC60326916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168377 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C InChI=1S/C26H36F2N4O2/c1-17(33)32-21(12-18-10-19(27)13-20(28)11-18)22(34)15-31-26(8-6-5-7-9-26)24-14-23(25(2,3)4)29-16-30-24/h10-11,13-14,16,21-22,31,34H,5-9,12,15H2,1-4H3,(H,32,33)/t21-,22+/m0/s1 VVWGMEIQTOBDML-FCHUYYIVSA-N 50328049 CHEMBL1257302::N-((2S,3R)-4-(1-(6-tert-butylpyrimidin-4-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52950166 123107164 CHEMBL1257302 ZINC64539581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168380 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C InChI=1S/C26H34F2N2O2/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(9-6-10-26)20-8-5-7-19(14-20)25(2,3)4/h5,7-8,11-12,14-15,23-24,29,32H,6,9-10,13,16H2,1-4H3,(H,30,31)/t23-,24+/m0/s1 CQJCMAHTSPVMHW-BJKOFHAPSA-N 50328776 CHEMBL1270458::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclobutylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 610 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52945785 123107891 CHEMBL1270458 ZINC64527893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168387 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(=C)C(F)(F)F InChI=1S/C24H25F5N2O2/c1-14(24(27,28)29)17-4-3-5-18(11-17)23(6-7-23)30-13-22(33)21(31-15(2)32)10-16-8-19(25)12-20(26)9-16/h3-5,8-9,11-12,21-22,30,33H,1,6-7,10,13H2,2H3,(H,31,32)/t21-,22+/m0/s1 PMWZKFRZXLTHEJ-FCHUYYIVSA-N 50328780 CHEMBL1270262::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52949452 123107895 CHEMBL1270262 ZINC60327932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168420 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCOC1 InChI=1S/C25H30F2N2O3/c1-16(30)29-23(11-17-9-21(26)13-22(27)10-17)24(31)14-28-25(6-7-25)20-4-2-3-18(12-20)19-5-8-32-15-19/h2-4,9-10,12-13,19,23-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t19?,23-,24+/m0/s1 IROUFPLAOXNCIN-ZJWHSJSFSA-N 50328781 CHEMBL1270164::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-3-yl)phenyl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 760 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942213 123107896 CHEMBL1270164 ZINC64512740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168421 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C InChI=1S/C25H32F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(8-9-25)19-7-5-6-18(13-19)24(2,3)4/h5-7,10-11,13-14,22-23,28,31H,8-9,12,15H2,1-4H3,(H,29,30)/t22-,23+/m0/s1 PJNDAZQEJOLDIW-XZOQPEGZSA-N 50328050 CHEMBL1257303::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52942524 123107165 CHEMBL1257303 ZINC60327399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172663 CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 XFFOMNJIDRDDLQ-UHFFFAOYSA-N 50242014 CHEMBL464006::Morusin::Morusin, 3::TCMDC-124149::cid_5281671 Beta-secretase 1 Homo sapiens 59400 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281671 104098929 CHEMBL464006 C10106 ZINC05195808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172664 CC(C)(O)CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3 AFOKZNPZDXHDHD-UHFFFAOYSA-N 50343138 CHEMBL1719948::Morusinol Beta-secretase 1 Homo sapiens 135900 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481968 131346074 CHEMBL1719948 ZINC13125764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172665 CC(C)=CCc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c2C=CC(C)(C)Oc12 InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-27,29H,6H2,1-4H3 NCESNGZPMHRCJG-UHFFFAOYSA-N 50343136 CHEMBL1770312::Kuwanon A Beta-secretase 1 Homo sapiens 10600 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44258296 131346072 CHEMBL1770312 ZINC59735702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172666 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H YXOLAZRVSSWPPT-UHFFFAOYSA-N 26658 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one::2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone::2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one::2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one::CHEMBL28626::MLS000069618::Morin (19)::Morin (5)::Morin (Mor)::SMR000058259::cid_5281670::morin Beta-secretase 1 Homo sapiens 12300 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MRI 5AUY,8A0P,7E4B,6AE3,6TT8 5281670 57298370 75092 CHEMBL28626 411 C10105 ZINC03881558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172667 CC(C)=CCc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c2C=CC(C)(C)Oc12 InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-27,29H,6H2,1-4H3 NCESNGZPMHRCJG-UHFFFAOYSA-N 50343136 CHEMBL1770312::Kuwanon A Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44258296 131346072 CHEMBL1770312 ZINC59735702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172668 CC(C)=CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1O)c(CC=C(C)C)c2=O InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 UWQYBLOHTQWSQD-UHFFFAOYSA-N 50242015 CHEMBL518543::Kuwanon C, 4::kuwanon C Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481958 104098930 CHEMBL518543 ZINC14727558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172669 CC(C)=CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1O)c(CC=C(C)C)c2=O InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 UWQYBLOHTQWSQD-UHFFFAOYSA-N 50242015 CHEMBL518543::Kuwanon C, 4::kuwanon C Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481958 104098930 CHEMBL518543 ZINC14727558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172670 C\C(CO)=C\Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O InChI=1S/C25H24O8/c1-13(11-26)3-5-17-22(31)21-19(30)10-20-16(7-8-25(2,12-27)33-20)24(21)32-23(17)15-6-4-14(28)9-18(15)29/h3-4,6-10,26-30H,5,11-12H2,1-2H3/b13-3- KUZOHQFKZOINRC-DXNYSGJVSA-N 50343139 CHEMBL1770315::Mormin Beta-secretase 1 Homo sapiens 103500 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54587663 131346075 CHEMBL1770315 ZINC71334425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172671 CC(C)(O)C1Cc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)-c2ccc(O)cc2O1 InChI=1S/C25H24O7/c1-24(2)8-7-14-18(32-24)11-16(27)20-21(28)15-10-19(25(3,4)29)30-17-9-12(26)5-6-13(17)22(15)31-23(14)20/h5-9,11,19,26-27,29H,10H2,1-4H3 BKIVBOLDWRIFMA-UHFFFAOYSA-N 50343140 CHEMBL1770314::Neocyclomorusin Beta-secretase 1 Homo sapiens 146100 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481973 131346076 CHEMBL1770314 ZINC71341663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172672 CC(C)=CC1Oc2cc(O)ccc2-c2oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c12 InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3 GDQXJMLXEYSICD-UHFFFAOYSA-N 50343137 CHEMBL1770313::Cyclomorusin::Cycolmorusin, 2 Beta-secretase 1 Homo sapiens 101200 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50343137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50343137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481969 131346073 CHEMBL1770313 ZINC14951196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172673 CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 XFFOMNJIDRDDLQ-UHFFFAOYSA-N 50242014 CHEMBL464006::Morusin::Morusin, 3::TCMDC-124149::cid_5281671 Beta-secretase 1 Homo sapiens 64100 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281671 104098929 CHEMBL464006 C10106 ZINC05195808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172674 Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H ZSYPIPFQOQGYHH-UHFFFAOYSA-N 50269559 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one::CHEMBL463145::Norartocarpetin, 5::norartocarpetin Beta-secretase 1 Homo sapiens 82600 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481970 104115213 CHEMBL463145 ZINC14756811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50172675 Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H ZSYPIPFQOQGYHH-UHFFFAOYSA-N 50269559 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one::CHEMBL463145::Norartocarpetin, 5::norartocarpetin Beta-secretase 1 Homo sapiens 60600 ChEMBL 10.1016/j.bmcl.2011.03.060 10.7270/Q2QR4XF7 21511472 Cho, JK; Ryu, YB; Curtis-Long, MJ; Kim, JY; Kim, D; Lee, S; Lee, WS; Park, KH Gyeongsang National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5481970 104115213 CHEMBL463145 ZINC14756811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162051 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 InChI=1S/C34H42F2N4O5S/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)46(44,45)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1 KDRUCCZCGHVXGH-QAXCHELISA-N 50317025 CHEMBL1097319::N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(phenylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z74 3LPI 45105273 104151386 CHEMBL1097319 ZINC49784328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162053 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)C(=O)c1ccccc1 InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)35(45)27-16-23(3)15-26(20-27)33(43)39-30(19-24-17-28(36)21-29(37)18-24)32(42)31-22-41(14-11-38-31)34(44)25-9-7-6-8-10-25/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1 ZJLWDMHHAMNWRK-QAXCHELISA-N 50317063 CHEMBL1097318::N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((R)-4-benzoylpiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1150 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74A 3LNK 45105269 104151424 CHEMBL1097318 ZINC49783967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162054 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnc(C)n1C InChI=1S/C33H44F2N6O5S/c1-6-9-40(10-7-2)33(44)25-13-21(3)12-24(17-25)32(43)38-28(16-23-14-26(34)18-27(35)15-23)31(42)29-20-41(11-8-36-29)47(45,46)30-19-37-22(4)39(30)5/h12-15,17-19,28-29,31,36,42H,6-11,16,20H2,1-5H3,(H,38,43)/t28-,29+,31-/m0/s1 ZUUASFYEYPNRDP-FLBADVGZSA-N 50317037 CHEMBL1097331::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(1,2-dimethyl-1H-imidazol-5-ylsulfonyl)piperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888942 104151398 CHEMBL1097331 ZINC49785036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162060 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H40Cl2F2N4O5S/c1-4-9-41(10-5-2)34(45)24-13-21(3)12-23(17-24)33(44)40-30(16-22-14-25(37)18-26(38)15-22)32(43)31-20-42(11-8-39-31)48(46,47)27-6-7-28(35)29(36)19-27/h6-7,12-15,17-19,30-32,39,43H,4-5,8-11,16,20H2,1-3H3,(H,40,44)/t30-,31+,32-/m0/s1 YPQIEGDXNBKVGF-QAXCHELISA-N 50317035 CHEMBL1097329::N1-((1S,2S)-1-((R)-4-(3,4-dichlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888940 104151396 CHEMBL1097329 ZINC49783745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162063 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2)CCN1 InChI=1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1 ZHZSBUKNHGZRTJ-DSPMFFIESA-N 50317065 CHEMBL1097356::N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1S,2S)-1-((R)-4-benzylpiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z75 3LPJ 11707063 104151426 CHEMBL1097356 ZINC49783893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162064 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)c(OC)c1 InChI=1S/C36H46F2N4O7S/c1-6-11-41(12-7-2)36(45)26-15-23(3)14-25(19-26)35(44)40-30(18-24-16-27(37)20-28(38)17-24)34(43)31-22-42(13-10-39-31)50(46,47)29-8-9-32(48-4)33(21-29)49-5/h8-9,14-17,19-21,30-31,34,39,43H,6-7,10-13,18,22H2,1-5H3,(H,40,44)/t30-,31+,34-/m0/s1 ICKZAOQSKQYZHX-HHMOXRITSA-N 50317036 CHEMBL1097330::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(3,4-dimethoxyphenylsulfonyl)piperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888941 104151397 CHEMBL1097330 ZINC49802645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162065 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CNCCN1 InChI=1S/C28H38F2N4O3/c1-4-8-34(9-5-2)28(37)21-11-18(3)10-20(15-21)27(36)33-24(26(35)25-17-31-6-7-32-25)14-19-12-22(29)16-23(30)13-19/h10-13,15-16,24-26,31-32,35H,4-9,14,17H2,1-3H3,(H,33,36)/t24-,25+,26-/m0/s1 BBCDUUOCERVFDK-NXCFDTQHSA-N 50317064 CHEMBL1087579::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888965 104151425 CHEMBL1087579 ZINC49048517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162067 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O InChI=1S/C29H38F2N4O6S/c1-18-9-20(14-21(10-18)29(38)35-7-4-5-24(35)17-41-2)28(37)33-25(13-19-11-22(30)15-23(31)12-19)27(36)26-16-34(8-6-32-26)42(3,39)40/h9-12,14-15,24-27,32,36H,4-8,13,16-17H2,1-3H3,(H,33,37)/t24-,25+,26-,27+/m1/s1 IMGGISDXENNSOV-RAVGUYNFSA-N 50317062 CHEMBL1097355::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(methylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888964 104151423 CHEMBL1097355 ZINC49777632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162068 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)C1CC1 InChI=1S/C31H40F2N4O6S/c1-19-10-21(15-22(11-19)31(40)37-8-3-4-25(37)18-43-2)30(39)35-27(14-20-12-23(32)16-24(33)13-20)29(38)28-17-36(9-7-34-28)44(41,42)26-5-6-26/h10-13,15-16,25-29,34,38H,3-9,14,17-18H2,1-2H3,(H,35,39)/t25-,27+,28-,29+/m1/s1 AMLMNJLUYMKORW-MXYFDVTLSA-N 50317061 CHEMBL1097354::N-((1S,2S)-1-((R)-4-(cyclopropylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888963 104151422 CHEMBL1097354 ZINC49803209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162069 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)Cc1ccccc1 InChI=1S/C35H42F2N4O6S/c1-23-13-26(18-27(14-23)35(44)41-11-6-9-30(41)21-47-2)34(43)39-31(17-25-15-28(36)19-29(37)16-25)33(42)32-20-40(12-10-38-32)48(45,46)22-24-7-4-3-5-8-24/h3-5,7-8,13-16,18-19,30-33,38,42H,6,9-12,17,20-22H2,1-2H3,(H,39,43)/t30-,31+,32-,33+/m1/s1 YCZNILRLCNILQB-LVVLYVGBSA-N 50317060 CHEMBL1097353::N-((1S,2S)-1-((R)-4-(benzylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46861631 104151421 CHEMBL1097353 ZINC49793789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162070 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C32H40F2N6O6S/c1-20-9-22(14-23(10-20)32(43)40-7-4-5-26(40)18-46-3)31(42)37-27(13-21-11-24(33)15-25(34)12-21)30(41)28-16-39(8-6-35-28)47(44,45)29-17-38(2)19-36-29/h9-12,14-15,17,19,26-28,30,35,41H,4-8,13,16,18H2,1-3H3,(H,37,42)/t26-,27+,28-,30+/m1/s1 SSZWMOZAGUFOJM-UONLKORASA-N 50317059 CHEMBL1097352::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(1-methyl-1H-imidazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888962 104151420 CHEMBL1097352 ZINC49802597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162071 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)s1 InChI=1S/C32H37ClF2N4O6S2/c1-19-10-21(15-22(11-19)32(42)39-8-3-4-25(39)18-45-2)31(41)37-26(14-20-12-23(34)16-24(35)13-20)30(40)27-17-38(9-7-36-27)47(43,44)29-6-5-28(33)46-29/h5-6,10-13,15-16,25-27,30,36,40H,3-4,7-9,14,17-18H2,1-2H3,(H,37,41)/t25-,26+,27-,30+/m1/s1 ROLBGZGMDNTLMP-BXAWWBQVSA-N 50317058 CHEMBL1097351::N-((1S,2S)-1-((R)-4-(5-chlorothiophen-2-ylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888961 104151419 CHEMBL1097351 ZINC49793788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162073 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccncc1 InChI=1S/C33H41F2N5O5S/c1-4-11-39(12-5-2)33(43)25-15-22(3)14-24(19-25)32(42)38-29(18-23-16-26(34)20-27(35)17-23)31(41)30-21-40(13-10-37-30)46(44,45)28-6-8-36-9-7-28/h6-9,14-17,19-20,29-31,37,41H,4-5,10-13,18,21H2,1-3H3,(H,38,42)/t29-,30+,31-/m0/s1 MCXKQZCXENNNEH-YPKYBTACSA-N 50317040 CHEMBL1097334::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(pyridin-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888945 104151401 CHEMBL1097334 ZINC49802646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162074 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnoc1C InChI=1S/C32H41F2N5O6S/c1-5-8-38(9-6-2)32(42)24-12-20(3)11-23(16-24)31(41)37-27(15-22-13-25(33)17-26(34)14-22)30(40)28-19-39(10-7-35-28)46(43,44)29-18-36-45-21(29)4/h11-14,16-18,27-28,30,35,40H,5-10,15,19H2,1-4H3,(H,37,41)/t27-,28+,30-/m0/s1 JFYSYINVGNDMGK-LXQNXJGFSA-N 50317041 CHEMBL1097335::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(5-methylisoxazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888946 104151402 CHEMBL1097335 ZINC49783627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162077 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C32H42F2N6O5S/c1-5-8-39(9-6-2)32(43)24-12-21(3)11-23(16-24)31(42)37-27(15-22-13-25(33)17-26(34)14-22)30(41)28-18-40(10-7-35-28)46(44,45)29-19-38(4)20-36-29/h11-14,16-17,19-20,27-28,30,35,41H,5-10,15,18H2,1-4H3,(H,37,42)/t27-,28+,30-/m0/s1 RJPKZFOLDCVSNL-LXQNXJGFSA-N 50317038 CHEMBL1097332::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(1-methyl-1H-imidazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888943 104151399 CHEMBL1097332 ZINC49783890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162079 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccs1 InChI=1S/C32H40F2N4O5S2/c1-4-9-37(10-5-2)32(41)24-14-21(3)13-23(18-24)31(40)36-27(17-22-15-25(33)19-26(34)16-22)30(39)28-20-38(11-8-35-28)45(42,43)29-7-6-12-44-29/h6-7,12-16,18-19,27-28,30,35,39H,4-5,8-11,17,20H2,1-3H3,(H,36,40)/t27-,28+,30-/m0/s1 HPXTWKXHCWYIII-LXQNXJGFSA-N 50317039 CHEMBL1097333::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(thiophen-2-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 83 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888944 104151400 CHEMBL1097333 ZINC49783626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162082 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnc(C)n1C InChI=1S/C33H44F2N6O5S/c1-6-9-40(10-7-2)33(44)25-13-21(3)12-24(17-25)32(43)38-28(16-23-14-26(34)18-27(35)15-23)31(42)29-20-41(11-8-36-29)47(45,46)30-19-37-22(4)39(30)5/h12-15,17-19,28-29,31,36,42H,6-11,16,20H2,1-5H3,(H,38,43)/t28-,29+,31-/m0/s1 ZUUASFYEYPNRDP-FLBADVGZSA-N 50317037 CHEMBL1097331::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(1,2-dimethyl-1H-imidazol-5-ylsulfonyl)piperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888942 104151398 CHEMBL1097331 ZINC49785036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162087 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)c(OC)c1 InChI=1S/C36H46F2N4O7S/c1-6-11-41(12-7-2)36(45)26-15-23(3)14-25(19-26)35(44)40-30(18-24-16-27(37)20-28(38)17-24)34(43)31-22-42(13-10-39-31)50(46,47)29-8-9-32(48-4)33(21-29)49-5/h8-9,14-17,19-21,30-31,34,39,43H,6-7,10-13,18,22H2,1-5H3,(H,40,44)/t30-,31+,34-/m0/s1 ICKZAOQSKQYZHX-HHMOXRITSA-N 50317036 CHEMBL1097330::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-((R)-4-(3,4-dimethoxyphenylsulfonyl)piperazin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888941 104151397 CHEMBL1097330 ZINC49802645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162089 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H40Cl2F2N4O5S/c1-4-9-41(10-5-2)34(45)24-13-21(3)12-23(17-24)33(44)40-30(16-22-14-25(37)18-26(38)15-22)32(43)31-20-42(11-8-39-31)48(46,47)27-6-7-28(35)29(36)19-27/h6-7,12-15,17-19,30-32,39,43H,4-5,8-11,16,20H2,1-3H3,(H,40,44)/t30-,31+,32-/m0/s1 YPQIEGDXNBKVGF-QAXCHELISA-N 50317035 CHEMBL1097329::N1-((1S,2S)-1-((R)-4-(3,4-dichlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888940 104151396 CHEMBL1097329 ZINC49783745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162090 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(cc1)C#N InChI=1S/C35H41F2N5O5S/c1-4-11-41(12-5-2)35(45)27-15-23(3)14-26(19-27)34(44)40-31(18-25-16-28(36)20-29(37)17-25)33(43)32-22-42(13-10-39-32)48(46,47)30-8-6-24(21-38)7-9-30/h6-9,14-17,19-20,31-33,39,43H,4-5,10-13,18,22H2,1-3H3,(H,40,44)/t31-,32+,33-/m0/s1 BQPQHJCFRJBYMS-DSPMFFIESA-N 50317034 CHEMBL1097328::N1-((1S,2S)-1-((R)-4-(4-cyanophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888939 104151395 CHEMBL1097328 ZINC49784947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162091 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)cc1 InChI=1S/C35H44F2N4O6S/c1-5-12-40(13-6-2)35(44)26-16-23(3)15-25(20-26)34(43)39-31(19-24-17-27(36)21-28(37)18-24)33(42)32-22-41(14-11-38-32)48(45,46)30-9-7-29(47-4)8-10-30/h7-10,15-18,20-21,31-33,38,42H,5-6,11-14,19,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 AOGZWUVVSQQOOT-DSPMFFIESA-N 50317033 CHEMBL1097327::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(4-methoxyphenylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888938 104151394 CHEMBL1097327 ZINC49802167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162093 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(OC)c1 InChI=1S/C35H44F2N4O6S/c1-5-11-40(12-6-2)35(44)26-15-23(3)14-25(19-26)34(43)39-31(18-24-16-27(36)20-28(37)17-24)33(42)32-22-41(13-10-38-32)48(45,46)30-9-7-8-29(21-30)47-4/h7-9,14-17,19-21,31-33,38,42H,5-6,10-13,18,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 USGZVKLJVKRSOK-DSPMFFIESA-N 50317032 CHEMBL1097326::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(3-methoxyphenylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888937 104151393 CHEMBL1097326 ZINC49784518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162095 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C34H41ClF2N4O5S/c1-4-11-40(12-5-2)34(44)25-15-22(3)14-24(19-25)33(43)39-30(18-23-16-27(36)20-28(37)17-23)32(42)31-21-41(13-10-38-31)47(45,46)29-8-6-26(35)7-9-29/h6-9,14-17,19-20,30-32,38,42H,4-5,10-13,18,21H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1 UGPIQABPMNKODT-QAXCHELISA-N 50317031 CHEMBL1097325::N1-((1S,2S)-1-((R)-4-(4-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888936 104151392 CHEMBL1097325 ZINC49783807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162097 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O InChI=1S/C29H40F2N4O5S/c1-5-8-34(9-6-2)29(38)22-12-19(3)11-21(16-22)28(37)33-25(15-20-13-23(30)17-24(31)14-20)27(36)26-18-35(10-7-32-26)41(4,39)40/h11-14,16-17,25-27,32,36H,5-10,15,18H2,1-4H3,(H,33,37)/t25-,26+,27-/m0/s1 NJMFDNQZIQZAMU-VJGNERBWSA-N 50317046 CHEMBL1097340::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(methylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888951 104151407 CHEMBL1097340 ZINC49784018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162100 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 InChI=1S/C34H41ClF2N4O5S/c1-4-10-40(11-5-2)34(44)25-14-22(3)13-24(18-25)33(43)39-30(17-23-15-27(36)20-28(37)16-23)32(42)31-21-41(12-9-38-31)47(45,46)29-8-6-7-26(35)19-29/h6-8,13-16,18-20,30-32,38,42H,4-5,9-12,17,21H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1 KTTSFFUKOFPITO-QAXCHELISA-N 50317030 CHEMBL1097324::N1-((1S,2S)-1-((R)-4-(3-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888935 104151391 CHEMBL1097324 ZINC49784422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162101 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)CCC InChI=1S/C31H44F2N4O5S/c1-5-9-36(10-6-2)31(40)24-14-21(4)13-23(18-24)30(39)35-27(17-22-15-25(32)19-26(33)16-22)29(38)28-20-37(11-8-34-28)43(41,42)12-7-3/h13-16,18-19,27-29,34,38H,5-12,17,20H2,1-4H3,(H,35,39)/t27-,28+,29-/m0/s1 KOUPBDFEJJZQLP-NHKHRBQYSA-N 50317047 CHEMBL1097341::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(propylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888952 104151408 CHEMBL1097341 ZINC49777404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162102 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1Cl InChI=1S/C34H41ClF2N4O5S/c1-4-11-40(12-5-2)34(44)25-15-22(3)14-24(19-25)33(43)39-29(18-23-16-26(36)20-27(37)17-23)32(42)30-21-41(13-10-38-30)47(45,46)31-9-7-6-8-28(31)35/h6-9,14-17,19-20,29-30,32,38,42H,4-5,10-13,18,21H2,1-3H3,(H,39,43)/t29-,30+,32-/m0/s1 WAVXFWGNPISWSU-WTGSTYHVSA-N 50317029 CHEMBL1097323::N1-((1S,2S)-1-((R)-4-(2-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888934 104151390 CHEMBL1097323 ZINC49802166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162103 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C35H44F2N4O5S/c1-5-12-40(13-6-2)35(44)27-16-24(4)15-26(20-27)34(43)39-31(19-25-17-28(36)21-29(37)18-25)33(42)32-22-41(14-11-38-32)47(45,46)30-9-7-23(3)8-10-30/h7-10,15-18,20-21,31-33,38,42H,5-6,11-14,19,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1 JYPSWKIBLIGHIH-DSPMFFIESA-N 50317028 CHEMBL1097322::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-tosylpiperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888933 104151389 CHEMBL1097322 ZINC49793336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162110 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1 CQQMWBPWYUPVOC-PPESYSCFSA-N 50317048 CHEMBL1097342::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide::N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z76 3LPK 45105274 104151409 CHEMBL1097342 ZINC49802648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162111 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 InChI=1S/C34H40F2N4O6S/c1-22-13-24(18-25(14-22)34(43)40-11-6-7-28(40)21-46-2)33(42)38-30(17-23-15-26(35)19-27(36)16-23)32(41)31-20-39(12-10-37-31)47(44,45)29-8-4-3-5-9-29/h3-5,8-9,13-16,18-19,28,30-32,37,41H,6-7,10-12,17,20-21H2,1-2H3,(H,38,42)/t28-,30+,31-,32+/m1/s1 APTGNANQHRPHDT-HMMMRCIUSA-N 50317055 CHEMBL1097348::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(phenylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46861889 104151416 CHEMBL1097348 ZINC49802718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162114 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 InChI=1S/C34H39ClF2N4O6S/c1-21-11-23(16-24(12-21)34(44)41-9-4-6-28(41)20-47-2)33(43)39-30(15-22-13-26(36)18-27(37)14-22)32(42)31-19-40(10-8-38-31)48(45,46)29-7-3-5-25(35)17-29/h3,5,7,11-14,16-18,28,30-32,38,42H,4,6,8-10,15,19-20H2,1-2H3,(H,39,43)/t28-,30+,31-,32+/m1/s1 BATBIHFGKSMQCY-HMMMRCIUSA-N 50317056 CHEMBL1097349::N-((1S,2S)-1-((R)-4-(3-chlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888959 104151417 CHEMBL1097349 ZINC49777405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162118 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C29H38F2N4O5S/c1-3-4-9-34-17-21(15-27(34)36)29(38)33-25(14-20-12-22(30)16-23(31)13-20)28(37)26-18-35(10-8-32-26)41(39,40)24-7-5-6-19(2)11-24/h5-7,11-13,16,21,25-26,28,32,37H,3-4,8-10,14-15,17-18H2,1-2H3,(H,33,38)/t21?,25-,26+,28-/m0/s1 HPDGUUSJXUKDGG-HSTGIYNWSA-N 50317053 1-butyl-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-oxopyrrolidine-3-carboxamide::CHEMBL1097347 Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888957 104151414 CHEMBL1097347 ZINC49793787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50162119 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 InChI=1S/C22H27F2N3O4S/c1-14-4-3-5-19(8-14)32(30,31)27-7-6-25-21(13-27)22(29)20(26-15(2)28)11-16-9-17(23)12-18(24)10-16/h3-5,8-10,12,20-22,25,29H,6-7,11,13H2,1-2H3,(H,26,28)/t20-,21+,22-/m0/s1 NJDSZIIKVQYJRQ-BDTNDASRSA-N 50317054 CHEMBL1087742::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4350 ChEMBL 10.1016/j.bmcl.2010.03.050 10.7270/Q2BK1CH7 20347593 Cumming, J; Babu, S; Huang, Y; Carrol, C; Chen, X; Favreau, L; Greenlee, W; Guo, T; Kennedy, M; Kuvelkar, R; Le, T; Li, G; McHugh, N; Orth, P; Ozgur, L; Parker, E; Saionz, K; Stamford, A; Strickland, C; Tadesse, D; Voigt, J; Zhang, L; Zhang, Q Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46888958 104151415 CHEMBL1087742 ZINC49111506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163113 Oc1ccc(cc1CN1CCN(Cc2cc(ccc2O)-c2ccccc2)CC1)-c1ccccc1 InChI=1S/C30H30N2O2/c33-29-13-11-25(23-7-3-1-4-8-23)19-27(29)21-31-15-17-32(18-16-31)22-28-20-26(12-14-30(28)34)24-9-5-2-6-10-24/h1-14,19-20,33-34H,15-18,21-22H2 HMKBBOBHIWVVOD-UHFFFAOYSA-N 50320670 3,3'-(piperazine-1,4-diylbis(methylene))dibiphenyl-4-ol::CHEMBL1163649 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5031416 104142199 CHEMBL1163649 ZINC22465568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163115 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12 InChI=1S/C21H19BrN2O5/c1-27-18-4-2-3-13-11-15(21(26)29-19(13)18)20(25)23-16-12-14(22)5-6-17(16)24-7-9-28-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25) DZIFZHPCJJNRDT-UHFFFAOYSA-N 16743 Coumarin Compound, 10a::N-[5-bromo-2-(morpholin-4-yl)phenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11669760 46516963 ZINC14962073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163119 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O InChI=1S/C22H22BrN3O4/c23-16-5-6-19(26-9-7-25(8-10-26)11-12-27)18(14-16)24-21(28)17-13-15-3-1-2-4-20(15)30-22(17)29/h1-6,13-14,27H,7-12H2,(H,24,28) OIXRHSBEQHAKPC-UHFFFAOYSA-N 16742 Coumarin Compound, 9e::N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11698518 46516962 ZINC14962069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163133 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)-c1ccccc1C#N)c1ccccc1 InChI=1S/C29H32N4O3/c1-21(22-10-4-2-5-11-22)33-29(35)25-16-24(27-13-7-6-12-23(27)19-31)17-26(18-25)36-20-28(34)32-15-9-3-8-14-30/h2,4-7,10-13,16-18,21H,3,8-9,14-15,20,30H2,1H3,(H,32,34)(H,33,35)/t21-/m1/s1 YUEZQFWNMDKTLS-OAQYLSRUSA-N 16043 3-{[(5-aminopentyl)carbamoyl]methoxy}-5-(2-cyanophenyl)-N-[(1R)-1-phenylethyl]benzamide::oxyacetamide 2 Beta-secretase 1 Homo sapiens 21000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647285 46516310 ZINC13585512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163134 CC(NC(=O)NCCNC(=O)NC(C)C(O)=O)C(O)=O InChI=1S/C10H18N4O6/c1-5(7(15)16)13-9(19)11-3-4-12-10(20)14-6(2)8(17)18/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)(H2,11,13,19)(H2,12,14,20) RDVISZKVVPEWHR-UHFFFAOYSA-N 50320689 2,11-dimethyl-4,9-dioxo-3,5,8,10-tetraazadodecane-1,12-dioic acid::CHEMBL1164946 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3774706 104142218 CHEMBL1164946 ZINC04834855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163135 CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)cc(I)c1O InChI=1S/C18H19IN2O4/c1-3-24-16-9-13(8-15(19)18(16)23)10-20-21-17(22)11-25-14-6-4-12(2)5-7-14/h4-10,23H,3,11H2,1-2H3,(H,21,22) TXMJUTBKDJNPSI-UHFFFAOYSA-N 50320688 CHEMBL1164435::N'-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-2-(p-tolyloxy)acetohydrazide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6321626 104142217 CHEMBL1164435 ZINC32110866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163136 CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 InChI=1S/C35H41N3O9/c1-35(2,3)47-34(43)38-28(19-30(39)45-22-26-15-9-5-10-16-26)33(42)37-29(24-44-21-25-13-7-4-8-14-25)32(41)36-20-31(40)46-23-27-17-11-6-12-18-27/h4-18,28-29H,19-24H2,1-3H3,(H,36,41)(H,37,42)(H,38,43) IVTCHXBOFLVHPF-UHFFFAOYSA-N 50320687 CHEMBL1163234::benzyl 6-(2-(benzyloxy)-2-oxoethyl)-9-(benzyloxymethyl)-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3108347 104142216 CHEMBL1163234 ZINC72100127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163137 COc1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1O InChI=1S/C17H15Cl2NO5/c1-24-14-4-2-3-12(16(14)22)17(23)25-9-15(21)20-8-10-5-6-11(18)7-13(10)19/h2-7,22H,8-9H2,1H3,(H,20,21) ZIEVELVTQCELRW-UHFFFAOYSA-N 50320686 2-(2,4-dichlorobenzylamino)-2-oxoethyl 2-hydroxy-3-methoxybenzoate::CHEMBL1164434 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906726 104142215 CHEMBL1164434 ZINC49808520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163138 COc1cc(\C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc(Br)c1O InChI=1S/C23H21BrN2O5/c1-29-21-14-16(13-19(24)22(21)27)15-25-26-23(28)18-9-5-6-10-20(18)31-12-11-30-17-7-3-2-4-8-17/h2-10,13-15,27H,11-12H2,1H3,(H,26,28)/b25-15- YXCQTBVDZNMQCW-MYYYXRDXSA-N 50320685 CHEMBL1163708::N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)-2-(2-phenoxyethoxy)benzohydrazide Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6532460 104142214 CHEMBL1163708 ZINC49832442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163139 OC(CNC(=O)c1ccccc1NC(=O)c1ccccc1)CNC(=O)c1ccccc1NC(=O)c1ccccc1 InChI=1S/C31H28N4O5/c36-23(19-32-30(39)24-15-7-9-17-26(24)34-28(37)21-11-3-1-4-12-21)20-33-31(40)25-16-8-10-18-27(25)35-29(38)22-13-5-2-6-14-22/h1-18,23,36H,19-20H2,(H,32,39)(H,33,40)(H,34,37)(H,35,38) ATJMAVCVHIPISB-UHFFFAOYSA-N 50320684 CHEMBL1164743::N,N'-(2-hydroxypropane-1,3-diyl)bis(2-benzamidobenzamide) Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3718101 104142213 CHEMBL1164743 ZINC49807432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163140 OC(=O)c1cc(ccc1O)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCCCC2)o1 InChI=1S/C26H24FN7O4/c27-17-5-7-18(8-6-17)29-24-30-25(32-26(31-24)34-12-2-1-3-13-34)33-28-15-19-9-11-22(38-19)16-4-10-21(35)20(14-16)23(36)37/h4-11,14,35H,1-3,12-13,15H2,(H,36,37)(H,29,30,31,32) MSPIYAPLCSFHEM-UHFFFAOYSA-N 50320626 5-(5-((2-(4-(4-fluorophenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)hydrazono)methyl)furan-2-yl)-2-hydroxybenzoic acid::CHEMBL1165791 Beta-secretase 1 Homo sapiens 27900 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933476 104142155 CHEMBL1165791 ZINC16667896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163141 Cc1ccc(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(Br)cc(Br)c3O)n2)cc1 InChI=1S/C22H23Br2N7O2/c1-14-2-4-17(5-3-14)26-21-27-19(13-31-6-8-33-9-7-31)28-22(29-21)30-25-12-15-10-16(23)11-18(24)20(15)32/h2-5,10-11,32H,6-9,12-13H2,1H3,(H,26,27,28,29) XGFHJFNLCOXJRE-UHFFFAOYSA-N 50320607 2,4-dibromo-6-((2-(4-(morpholinomethyl)-6-(p-tolylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)phenol::CHEMBL1164691 Beta-secretase 1 Homo sapiens 48100 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933462 104142136 CHEMBL1164691 ZINC49807843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163142 Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 InChI=1S/C22H17Cl2N7O/c23-15-11-14(19(32)18(24)12-15)13-25-31-22-29-20(26-16-7-3-1-4-8-16)28-21(30-22)27-17-9-5-2-6-10-17/h1-12,32H,13H2,(H2,26,27,28,29,30) RKKIQLOXFHWBEB-UHFFFAOYSA-N 50320606 2-((2-(4,6-bis(phenylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)-4,6-dichlorophenol::CHEMBL1164690 Beta-secretase 1 Homo sapiens 11200 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933461 104142135 CHEMBL1164690 ZINC08695506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163143 O=C(CCCCC1SCCS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C35H37N3O2S2/c39-33(15-6-7-16-34-41-23-24-42-34)38-21-19-37(20-22-38)32-18-17-28(26-9-2-1-3-10-26)25-31(32)36-35(40)30-14-8-12-27-11-4-5-13-29(27)30/h1-5,8-14,17-18,25,34H,6-7,15-16,19-24H2,(H,36,40) PYKSFLFCPAYLIB-UHFFFAOYSA-N 50320600 1-{4-(4'-chlorophenyl)-2-[(naphthalene-1-carbonyl)-amino]-phenyl}-4-{(5-dithiolan)-pentanoyl}-piperazine::CHEMBL211097::N-(4-(4-(5-(1,3-dithiolan-2-yl)pentanoyl)piperazin-1-yl)biphenyl-3-yl)-1-naphthamide Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44413559 104142129 CHEMBL211097 ZINC34803888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163144 COc1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O InChI=1S/C24H26FN7O4/c1-35-20-13-16(5-10-19(20)36-15-21(33)34)14-26-31-23-28-22(27-18-8-6-17(25)7-9-18)29-24(30-23)32-11-3-2-4-12-32/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,33,34)(H,27,28,29,30) FTZXMTRXHPMUED-UHFFFAOYSA-N 50320628 (4-{[4-(4-fluoro-phenylamino)-6-piperidin-1-yl-[1,3,5]triazin-2-yl]-hydrazonomethyl}-2-methoxy-phenoxy)-acetic acid::2-(4-((2-(4-(4-fluorophenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)hydrazono)methyl)-2-methoxyphenoxy)acetic acid::CHEMBL209055 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90773041 104142157 CHEMBL209055 ZINC08853512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163145 CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 InChI=1S/C24H23ClN4O2S/c1-2-3-6-17-9-13-19(14-10-17)26-23-24(28-22-8-5-4-7-21(22)27-23)29-32(30,31)20-15-11-18(25)12-16-20/h4-5,7-16H,2-3,6H2,1H3,(H,26,27)(H,28,29) HXLYFWBBAJKYQR-UHFFFAOYSA-N 50320665 CHEMBL1165814::N-(3-(4-butylphenylamino)quinoxalin-2-yl)-4-chlorobenzenesulfonamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5135855 104142194 CHEMBL1165814 ZINC09554131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163146 COc1cc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NCc3ccc(C)cc3)c(=O)c2cc1OC InChI=1S/C26H25N3O5/c1-16-4-6-17(7-5-16)14-27-24(30)19-10-8-18(9-11-19)15-29-25(31)20-12-22(33-2)23(34-3)13-21(20)28-26(29)32/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,32) HKPPORWGLYITLI-UHFFFAOYSA-N 50320664 4-((6,7-dimethoxy-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(4-methylbenzyl)benzamide::CHEMBL1165202 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15988250 104142193 CHEMBL1165202 ZINC08592176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163147 CCc1ccc(cc1)N1C(=O)Nc2ccc(Br)cc2C1(O)C(=O)NCC(C)CN1CCC(C)CC1 InChI=1S/C27H35BrN4O3/c1-4-20-5-8-22(9-6-20)32-26(34)30-24-10-7-21(28)15-23(24)27(32,35)25(33)29-16-19(3)17-31-13-11-18(2)12-14-31/h5-10,15,18-19,35H,4,11-14,16-17H2,1-3H3,(H,29,33)(H,30,34) CCTYOYRECCRRRE-UHFFFAOYSA-N 50320663 6-bromo-3-(4-ethylphenyl)-4-hydroxy-N-(2-methyl-3-(4-methylpiperidin-1-yl)propyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide::CHEMBL1165280 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4140894 104142192 CHEMBL1165280 ZINC03620032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163148 CN(C)CCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc2C1 InChI=1S/C23H26N4O4S/c1-26(2)12-10-24-23(29)20-14-25-21-8-7-18(13-19(21)22(20)28)32(30,31)27-11-9-16-5-3-4-6-17(16)15-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,29)(H,25,28) OSSIMPPRXAZSQS-UHFFFAOYSA-N 50320662 6-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-(2-(dimethylamino)ethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide::CHEMBL1165815 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907194 104142191 CHEMBL1165815 ZINC49808627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163149 Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2cccc3ccccc23)nc(n1)N1CCOCC1 InChI=1S/C24H21I2N7O2/c25-17-12-16(21(34)19(26)13-17)14-27-32-23-29-22(30-24(31-23)33-8-10-35-11-9-33)28-20-7-3-5-15-4-1-2-6-18(15)20/h1-7,12-13,34H,8-11,14H2,(H,28,29,30,31) NBDYGSWIUMWLDG-UHFFFAOYSA-N 50320609 2,4-diiodo-6-((2-(4-morpholino-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)phenol::CHEMBL1165279 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933464 104142138 CHEMBL1165279 ZINC08427485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163150 CN(C)c1nc(N=NCc2cc(I)cc(I)c2O)nc(n1)N1CCOCC1 InChI=1S/C16H19I2N7O2/c1-24(2)15-20-14(21-16(22-15)25-3-5-27-6-4-25)23-19-9-10-7-11(17)8-12(18)13(10)26/h7-8,26H,3-6,9H2,1-2H3 XPEBFZBBLFYYHY-UHFFFAOYSA-N 50320608 2-((2-(4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)-4,6-diiodophenol::CHEMBL1163299 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933463 104142137 CHEMBL1163299 ZINC08872864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163151 Clc1ccc(CNc2nc(N=NCc3ccc(Cl)cc3)nc(n2)N2CCOCC2)cc1 InChI=1S/C21H21Cl2N7O/c22-17-5-1-15(2-6-17)13-24-19-26-20(28-21(27-19)30-9-11-31-12-10-30)29-25-14-16-3-7-18(23)8-4-16/h1-8H,9-14H2,(H,24,26,27,28) OSLVRCIIOLTFNN-UHFFFAOYSA-N 50320614 CHEMBL1163652::N-(4-chlorobenzyl)-4-(2-(4-chlorobenzylidene)hydrazinyl)-6-morpholino-1,3,5-triazin-2-amine Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933469 104142143 CHEMBL1163652 ZINC49816803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163152 Fc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1 InChI=1S/C33H31FN4O6S/c34-25-7-4-21(5-8-25)17-35-33(40)23-6-10-29(37-18-22-14-24(20-37)28-2-1-3-32(39)38(28)19-22)27(15-23)36-45(41,42)26-9-11-30-31(16-26)44-13-12-43-30/h1-11,15-16,22,24,36H,12-14,17-20H2,(H,35,40) CPAGKWRTCRNERV-UHFFFAOYSA-N 50320637 3-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-N-(4-fluoro-benzyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-benzamide::CHEMBL1164406 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46371748 104142166 CHEMBL1164406 ZINC49807700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163153 O=C(NCc1ccccc1)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1 InChI=1S/C33H32N4O6S/c38-32-8-4-7-28-25-15-23(20-37(28)32)19-36(21-25)29-11-9-24(33(39)34-18-22-5-2-1-3-6-22)16-27(29)35-44(40,41)26-10-12-30-31(17-26)43-14-13-42-30/h1-12,16-17,23,25,35H,13-15,18-21H2,(H,34,39) DVZBGODQVXXXFP-UHFFFAOYSA-N 50320636 CHEMBL1164405::N-Benzyl-3-(2,3-dihydro-benzo[1,4]dioxine-6-sulfonylamino)-4-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-benzamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16000372 104142165 CHEMBL1164405 ZINC49807698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163154 Clc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1 InChI=1S/C33H31ClN4O6S/c34-25-7-4-21(5-8-25)17-35-33(40)23-6-10-29(37-18-22-14-24(20-37)28-2-1-3-32(39)38(28)19-22)27(15-23)36-45(41,42)26-9-11-30-31(16-26)44-13-12-43-30/h1-11,15-16,22,24,36H,12-14,17-20H2,(H,35,40) ZKQLNPCDRWEWRW-UHFFFAOYSA-N 50320635 CHEMBL1163251::N-(4-Chloro-benzyl)-3-(2,3-dihydro-benzo[1,4]dioxine-6-sulfonylamino)-4-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-benzamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16004116 104142164 CHEMBL1163251 ZINC72110484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163155 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31) LGCAWTUFLILYSL-UHFFFAOYSA-N 16729 N-[5-phenyl-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide::Naphthyl Compound, 4d Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647412 46516949 ZINC14962012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163156 CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 InChI=1S/C31H31N3O3/c1-2-37-30(35)22-33-17-19-34(20-18-33)29-16-15-25(23-9-4-3-5-10-23)21-28(29)32-31(36)27-14-8-12-24-11-6-7-13-26(24)27/h3-16,21H,2,17-20,22H2,1H3,(H,32,36) VELNTZUBONHZJA-UHFFFAOYSA-N 16731 Naphthyl Compound, 5b::ethyl 2-{4-[2-(naphthalene-1-amido)-4-phenylphenyl]piperazin-1-yl}acetate Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11511564 46516951 ZINC14962018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163157 O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C40H38N4O3/c45-38(33-19-11-15-30-14-5-6-16-32(30)33)41-36-28-31(29-12-3-1-4-13-29)20-21-37(36)43-26-24-42(25-27-43)22-9-2-10-23-44-39(46)34-17-7-8-18-35(34)40(44)47/h1,3-8,11-21,28H,2,9-10,22-27H2,(H,41,45) HQMXPAYDWPIZSY-UHFFFAOYSA-N 16732 1-{4-(Phenyl)-2-[(naphthalene-1-carbonyl)-amino]-phenyl}-4-[1-(5-phthalimido)-pentyl]-piperazine::N-(2-{4-[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::Naphthyl Compound, 5c Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11700105 46516952 ZINC14962022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163158 Cc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1 InChI=1S/C34H34N4O6S/c1-22-5-7-23(8-6-22)18-35-34(40)25-9-11-30(37-19-24-15-26(21-37)29-3-2-4-33(39)38(29)20-24)28(16-25)36-45(41,42)27-10-12-31-32(17-27)44-14-13-43-31/h2-12,16-17,24,26,36H,13-15,18-21H2,1H3,(H,35,40) LNGUCJYTXJNRCT-UHFFFAOYSA-N 50320634 3-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-N-(4-methyl-benzyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-benzamide::CHEMBL1164306 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15993676 104142163 CHEMBL1164306 ZINC49808038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163159 Clc1ccccc1CNC(=O)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1 InChI=1S/C33H31ClN4O6S/c34-26-5-2-1-4-23(26)17-35-33(40)22-8-10-29(37-18-21-14-24(20-37)28-6-3-7-32(39)38(28)19-21)27(15-22)36-45(41,42)25-9-11-30-31(16-25)44-13-12-43-30/h1-11,15-16,21,24,36H,12-14,17-20H2,(H,35,40) NPVHTCYEWLCYMF-UHFFFAOYSA-N 50320633 CHEMBL1163250::N-(2-Chloro-benzyl)-3-(2,3-dihydro-benzo[1,4]dioxine-6-sulfonylamino)-4-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-benzamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16004117 104142162 CHEMBL1163250 ZINC58482329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163160 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cccc2ccccc12 InChI=1S/C34H31N3O/c38-34(31-17-9-15-28-14-7-8-16-30(28)31)35-32-24-29(27-12-5-2-6-13-27)18-19-33(32)37-22-20-36(21-23-37)25-26-10-3-1-4-11-26/h1-19,24H,20-23,25H2,(H,35,38) ABOBTXLSWCANMO-UHFFFAOYSA-N 16728 N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide::Naphthyl Compound, 4c Beta-secretase 1 Homo sapiens 1250 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11584133 46516948 ZINC14962007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163161 C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 InChI=1S/C30H35FN4O5S/c1-19(21-8-10-24(31)11-9-21)33-29(37)22-15-23(17-26(16-22)35-41(2,39)40)30(38)34-27(14-20-6-4-3-5-7-20)28(36)18-32-25-12-13-25/h3-11,15-17,19,25,27-28,32,35-36H,12-14,18H2,1-2H3,(H,33,37)(H,34,38)/t19-,27+,28-/m1/s1 XMAYUKKFZWBWNS-KHWNGSORSA-N 16408 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methanesulfonamidobenzene-1,3-dicarboxamide::hydroxyethylamine containing compound 9 Beta-secretase 1 Homo sapiens 63000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11169204 46516648 ZINC14961368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163162 O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m1/s1 KLXPIHNTOUDGPI-PGUFJCEWSA-N 16735 N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::N-(4-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}biphenyl-3-yl)naphthalene-1-carboxamide::Naphthyl Compound, 5f Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11555685 46516955 ZINC14962034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163163 O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m0/s1 KLXPIHNTOUDGPI-DHUJRADRSA-N 16734 N-(2-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}-5-phenylphenyl)naphthalene-1-carboxamide::N-(4-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1-yl}biphenyl-3-yl)naphthalene-1-carboxamide::Naphthyl Compound, 5e Beta-secretase 1 Homo sapiens 69 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11526735 46516954 ZINC14962030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163164 CC1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCCC3)c2c1 InChI=1S/C23H32N4O4S/c1-17-7-13-27(14-8-17)32(30,31)18-5-6-21-19(15-18)20(16-22(28)25-21)23(29)24-9-4-12-26-10-2-3-11-26/h5-6,15-17H,2-4,7-14H2,1H3,(H,24,29)(H,25,28) WACGPNVNQWLTNR-UHFFFAOYSA-N 50320654 6-(4-methylpiperidin-1-ylsulfonyl)-2-oxo-N-(3-(pyrrolidin-1-yl)propyl)-1,2-dihydroquinoline-4-carboxamide::CHEMBL1164127 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16003623 104142183 CHEMBL1164127 ZINC08662024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163165 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12 InChI=1S/C21H20BrN3O4/c1-28-18-4-2-3-13-11-15(21(27)29-19(13)18)20(26)24-16-12-14(22)5-6-17(16)25-9-7-23-8-10-25/h2-6,11-12,23H,7-10H2,1H3,(H,24,26) VFYUOROBPBKAFN-UHFFFAOYSA-N 16746 2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide::CHEMBL1165583::CHEMBL206557::Coumarin Compound, 10d Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621130 46516966 CHEMBL1165583CHEMBL206557 ZINC14962084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163166 Clc1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4ccc(cc4c3=O)N3CCOCC3)cc2)cc1 InChI=1S/C28H27ClN4O3S/c29-22-7-3-19(4-8-22)11-12-30-26(34)21-5-1-20(2-6-21)18-33-27(35)24-17-23(32-13-15-36-16-14-32)9-10-25(24)31-28(33)37/h1-10,17H,11-16,18H2,(H,30,34)(H,31,37) RKJKIYHSEWQSLH-UHFFFAOYSA-N 50320650 CHEMBL1164464::N-(4-chlorophenethyl)-4-((6-morpholino-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)benzamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4670102 104142179 CHEMBL1164464 ZINC02976101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163167 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)20-9-8-17(26)15-19(20)27-22(30)18-14-16-6-4-5-7-21(16)33-23(18)31/h4-9,14-15H,10-13H2,1-3H3,(H,27,30) NKNJPZKXSPBIFO-UHFFFAOYSA-N 16739 CHEMBL207083::Coumarin Compound, 9b::tert-butyl 4-{4-bromo-2-[(2-oxo-2H-chromene-3-)amido]phenyl}piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11512055 46516959 CHEMBL207083 ZINC14962057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163168 Clc1ccc(cc1)C1SCC(=O)N1Nc1nc(Nc2ccccc2)nc(n1)N1CCCCC1 InChI=1S/C23H24ClN7OS/c24-17-11-9-16(10-12-17)20-31(19(32)15-33-20)29-22-26-21(25-18-7-3-1-4-8-18)27-23(28-22)30-13-5-2-6-14-30/h1,3-4,7-12,20H,2,5-6,13-15H2,(H2,25,26,27,28,29) YKWQRRXPVMJRGS-UHFFFAOYSA-N 50320617 2-(4-chlorophenyl)-3-(4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-ylamino)thiazolidin-4-one::CHEMBL1165731 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5162066 104142146 CHEMBL1165731 ZINC08872549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163169 CCN1CCCC1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O InChI=1S/C23H25BrN4O2S/c1-2-27-10-4-7-18(27)13-25-21(29)16-8-9-19-20(12-16)26-23(31)28(22(19)30)14-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-12,18H,2,4,7,10,13-14H2,1H3,(H,25,29)(H,26,31) BSGDWXRINLXVLM-UHFFFAOYSA-N 50320649 3-(3-bromobenzyl)-N-((1-ethylpyrrolidin-2-yl)methyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide::CHEMBL1164837 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4088061 104142178 CHEMBL1164837 ZINC20102943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163170 Clc1nc(NCCN2CCOCC2)nc(NCc2ccc(I)cc2)n1 InChI=1S/C16H20ClIN6O/c17-14-21-15(19-5-6-24-7-9-25-10-8-24)23-16(22-14)20-11-12-1-3-13(18)4-2-12/h1-4H,5-11H2,(H2,19,20,21,22,23) IGNGBYRXCGBMGS-UHFFFAOYSA-N 50320616 6-chloro-N2-(4-iodobenzyl)-N4-(2-morpholinoethyl)-1,3,5-triazine-2,4-diamine::CHEMBL1163699 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906639 104142145 CHEMBL1163699 ZINC49832327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163171 Oc1c(cnc2ccc(cc12)S(=O)(=O)NC1CCCCNC1=O)C(=O)NCc1ccccc1 InChI=1S/C23H24N4O5S/c28-21-17-12-16(33(31,32)27-20-8-4-5-11-24-23(20)30)9-10-19(17)25-14-18(21)22(29)26-13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,14,20,27H,4-5,8,11,13H2,(H,24,30)(H,25,28)(H,26,29) RRNWQAVBVCSBQT-UHFFFAOYSA-N 50320648 CHEMBL1164363::N-benzyl-4-oxo-6-(N-(2-oxoazepan-3-yl)sulfamoyl)-1,4-dihydroquinoline-3-carboxamide Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46907048 104142177 CHEMBL1164363 ZINC49808160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163172 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 InChI=1S/C26H28BrN3O3/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)23-12-11-19(27)17-22(23)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,13-16H2,1-3H3,(H,28,31) YJJFMJAXEJFWKZ-UHFFFAOYSA-N 16724 CHEMBL381618::Naphthyl Compound, 3b::tert-butyl 4-[4-bromo-2-(naphthalene-1-amido)phenyl]piperazine-1-carboxylate Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11569760 46516944 CHEMBL381618 ZINC14961992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163173 Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)c(O)c(Br)c3C)nc(n2)N2CCOCC2)c1 InChI=1S/C23H25Br2N7O2/c1-13-4-5-14(2)18(10-13)27-21-28-22(30-23(29-21)32-6-8-34-9-7-32)31-26-12-16-11-17(24)20(33)19(25)15(16)3/h4-5,10-11,33H,6-9,12H2,1-3H3,(H,27,28,29,30) SFKIKXPSIQIVQO-UHFFFAOYSA-N 50320615 2,6-dibromo-4-((2-(4-(2,5-dimethylphenylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)-3-methylphenol::CHEMBL1163698 Beta-secretase 1 Homo sapiens 81800 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933470 104142144 CHEMBL1163698 ZINC49832315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163174 FC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O InChI=1S/C19H13F7N2O2S2/c20-17(21,18(22,23)24)19(25,26)32-13-8-4-2-6-11(13)27-15(29)9-14-16(30)28-10-5-1-3-7-12(10)31-14/h1-8,14H,9H2,(H,27,29)(H,28,30) PETXMYIFKTTWKZ-UHFFFAOYSA-N 50320647 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)-N-(2-(perfluoropropylthio)phenyl)acetamide::CHEMBL1164362 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3470183 104142176 CHEMBL1164362 ZINC01751589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163175 CCOc1nc(NCCN2CCOCC2)nc(NNc2ccc(I)cc2C)n1 InChI=1S/C18H26IN7O2/c1-3-28-18-22-16(20-6-7-26-8-10-27-11-9-26)21-17(23-18)25-24-15-5-4-14(19)12-13(15)2/h4-5,12,24H,3,6-11H2,1-2H3,(H2,20,21,22,23,25) LBYISFQAZNFOFA-UHFFFAOYSA-N 50320618 4-ethoxy-6-(2-(4-iodo-2-methylphenyl)hydrazinyl)-N-(2-morpholinoethyl)-1,3,5-triazin-2-amine::CHEMBL1163705 Beta-secretase 1 Homo sapiens 11900 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906682 104142147 CHEMBL1163705 ZINC49832354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163176 Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 InChI=1S/C20H17BrN2O4/c21-14-5-6-17(23-7-9-26-10-8-23)16(12-14)22-19(24)15-11-13-3-1-2-4-18(13)27-20(15)25/h1-6,11-12H,7-10H2,(H,22,24) DKJKFQQPHPZGBD-UHFFFAOYSA-N 16738 Coumarin Compound, 9a::N-[5-bromo-2-(morpholin-4-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11575549 46516958 ZINC14962053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163177 Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 InChI=1S/C22H17I2N7O/c23-15-11-14(19(32)18(24)12-15)13-25-31-22-29-20(26-16-7-3-1-4-8-16)28-21(30-22)27-17-9-5-2-6-10-17/h1-12,32H,13H2,(H2,26,27,28,29,30) NCHKLEQVEBBXBN-UHFFFAOYSA-N 50320610 2-((2-(4,6-bis(phenylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)-4,6-diiodophenol::CHEMBL1165658 Beta-secretase 1 Homo sapiens 25500 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933465 104142139 CHEMBL1165658 ZINC08427470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163178 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CCO)CC3)c(=O)oc12 InChI=1S/C23H24BrN3O5/c1-31-20-4-2-3-15-13-17(23(30)32-21(15)20)22(29)25-18-14-16(24)5-6-19(18)27-9-7-26(8-10-27)11-12-28/h2-6,13-14,28H,7-12H2,1H3,(H,25,29) NRUQTVOQUILFMC-UHFFFAOYSA-N 16747 Coumarin Compound, 10e::N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-8-methoxy-2-oxo-2H-chromene-3-carboxamide Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11497030 46516967 ZINC14962088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163179 OC(=O)CCCNC(=O)CCCCC(=O)C(c1ccccc1)c1ccccc1 InChI=1S/C23H27NO4/c25-20(14-7-8-15-21(26)24-17-9-16-22(27)28)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,23H,7-9,14-17H2,(H,24,26)(H,27,28) MSEWIDRXAUGLAT-UHFFFAOYSA-N 50320679 4-(6-oxo-7,7-diphenylheptanamido)butanoic acid::CHEMBL1164432 Beta-secretase 1 Homo sapiens 500000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46906685 104142208 CHEMBL1164432 ZINC49808391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163180 Cc1ccc(Nc2nc(N=NCc3ccc(Cl)c(Cl)c3)nc(n2)N2CCOCC2)c(Cl)c1 InChI=1S/C21H20Cl3N7O/c1-13-2-5-18(17(24)10-13)26-19-27-20(29-21(28-19)31-6-8-32-9-7-31)30-25-12-14-3-4-15(22)16(23)11-14/h2-5,10-11H,6-9,12H2,1H3,(H,26,27,28,29) JUZHOBYFFYACQU-UHFFFAOYSA-N 50320622 CHEMBL1164331::N-(2-chloro-4-methylphenyl)-4-(2-(3,4-dichlorobenzylidene)hydrazinyl)-6-morpholino-1,3,5-triazin-2-amine Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933473 104142151 CHEMBL1164331 ZINC49803618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163181 CCOC(=O)C(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 InChI=1S/C25H21NO7S/c1-2-33-25(30)22(13-15-7-9-16(27)10-8-15)26-34(31,32)17-11-12-20-21(14-17)24(29)19-6-4-3-5-18(19)23(20)28/h3-12,14,22,26-27H,2,13H2,1H3 RVGBWMZVTMFDNE-UHFFFAOYSA-N 50320669 CHEMBL1165064::ethyl 2-(9,10-dioxo-9,10-dihydroanthracene-2-sulfonamido)-3-(4-hydroxyphenyl)propanoate Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3959062 104142198 CHEMBL1165064 ZINC05225358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163182 Cc1ccc(Nc2nc(N=NCc3cccc(Br)c3)nc(n2)N2CCOCC2)cc1 InChI=1S/C21H22BrN7O/c1-15-5-7-18(8-6-15)24-19-25-20(27-21(26-19)29-9-11-30-12-10-29)28-23-14-16-3-2-4-17(22)13-16/h2-8,13H,9-12,14H2,1H3,(H,24,25,26,27) GJIHCMISKAOVKV-UHFFFAOYSA-N 50320621 4-(2-(3-bromobenzylidene)hydrazinyl)-6-morpholino-N-p-tolyl-1,3,5-triazin-2-amine::CHEMBL1164330 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933472 104142150 CHEMBL1164330 ZINC08872872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163183 CCc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc2ccc(CC)cc2)cc1 InChI=1S/C30H26N2O2S2/c1-3-17-9-13-19(14-10-17)35-29-25(31)23-24(28(34)22-8-6-5-7-21(22)27(23)33)26(32)30(29)36-20-15-11-18(4-2)12-16-20/h5-16H,3-4,31-32H2,1-2H3 UTMHRKRLUQQDSG-UHFFFAOYSA-N 50320668 1,4-diamino-2,3-bis(4-ethylphenylthio)anthracene-9,10-dione::CHEMBL1165724 Beta-secretase 1 Homo sapiens 253000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3126028 104142197 CHEMBL1165724 ZINC06197627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163184 Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Cl InChI=1S/C22H17Cl2N7/c23-18-12-11-15(13-19(18)24)14-25-31-22-29-20(26-16-7-3-1-4-8-16)28-21(30-22)27-17-9-5-2-6-10-17/h1-13H,14H2,(H2,26,27,28,29,30) MQSDDXYZMJABIK-UHFFFAOYSA-N 50320620 6-(2-(3,4-dichlorobenzylidene)hydrazinyl)-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine::CHEMBL1163704 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933471 104142149 CHEMBL1163704 ZINC06473809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50163185 NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)cc1 InChI=1S/C23H19N5O3S2/c24-33(30,31)19-13-11-18(12-14-19)25-20(29)15-32-23-26-21(16-7-3-1-4-8-16)22(27-28-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29)(H2,24,30,31) HIIGDUXYBHQEJB-UHFFFAOYSA-N 50320667 2-(5,6-diphenyl-1,2,4-triazin-3-ylthio)-N-(4-sulfamoylphenyl)acetamide::CHEMBL1165057 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmc.2010.03.043 10.7270/Q2ZG6SFR 20378363 Al-Nadaf, A; Abu Sheikha, G; Taha, MO Applied Science University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6405777 104142196 CHEMBL1165057 ZINC02064221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50168458 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)-n1cccn1 InChI=1S/C24H26F2N4O2/c1-16(31)29-22(12-17-10-19(25)14-20(26)11-17)23(32)15-27-24(6-7-24)18-4-2-5-21(13-18)30-9-3-8-28-30/h2-5,8-11,13-14,22-23,27,32H,6-7,12,15H2,1H3,(H,29,31)/t22-,23+/m0/s1 FJIMJPFTRLZRAJ-XZOQPEGZSA-N 50328782 CHEMBL1270163::N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 980 ChEMBL 10.1016/j.bmcl.2010.08.102 10.7270/Q2NZ87V9 20833041 Truong, AP; Toth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52948286 123107897 CHEMBL1270163 ZINC60326419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169567 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C25H36N10O8/c1-11(2)17(22(39)28-10-16(36)21(38)29-14-7-5-6-13(8-14)25(42)43)31-23(40)18(12(3)4)30-20(37)15(26)9-27-24(41)19-32-34-35-33-19/h5-8,11-12,15-18,36H,9-10,26H2,1-4H3,(H,27,41)(H,28,39)(H,29,38)(H,30,37)(H,31,40)(H,42,43)(H,32,33,34,35)/t15-,16?,17-,18-/m0/s1 XOZUEBLGNYWKPZ-CLTRGCNDSA-N 50333392 3-{3-[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-3-methyl-butyrylamino]-2-hydroxy-propionylamino}-benzoic acid::CHEMBL1645518 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53316830 125083494 CHEMBL1645518 ZINC66262891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169568 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C26H38N10O8/c1-12(2)8-17(22(39)29-11-18(37)23(40)30-15-7-5-6-14(9-15)26(43)44)31-24(41)19(13(3)4)32-21(38)16(27)10-28-25(42)20-33-35-36-34-20/h5-7,9,12-13,16-19,37H,8,10-11,27H2,1-4H3,(H,28,42)(H,29,39)(H,30,40)(H,31,41)(H,32,38)(H,43,44)(H,33,34,35,36)/t16-,17+,18?,19+/m1/s1 FBWLYRSKVQIJJZ-HFIAIYGTSA-N 50333395 3-{3-[(S)-2-((S)-2-{(R)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-propionylamino}-benzoic acid::CHEMBL1645521 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53324768 125083497 CHEMBL1645521 ZINC66260170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169569 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C25H35N9O9/c1-11(2)17(22(39)26-9-16(36)21(38)27-14-7-5-6-13(8-14)25(42)43)30-23(40)18(12(3)4)29-20(37)15(10-35)28-24(41)19-31-33-34-32-19/h5-8,11-12,15-18,35-36H,9-10H2,1-4H3,(H,26,39)(H,27,38)(H,28,41)(H,29,37)(H,30,40)(H,42,43)(H,31,32,33,34)/t15-,16?,17+,18+/m1/s1 RAQPNJHGBFMSMB-VGKGQJMESA-N 50333396 3-{2-Hydroxy-3-[(S)-2-((S)-2-{(R)-3-hydroxy-2-[(2Htetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-3-methyl-butyrylamino]-propionylamino}-benzoic acid::CHEMBL1645522 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53320787 125083498 CHEMBL1645522 C06396 ZINC66260234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50169570 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CN)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C24H38N6O7/c1-12(2)8-17(29-23(35)19(13(3)4)30-20(32)16(26)10-25)21(33)27-11-18(31)22(34)28-15-7-5-6-14(9-15)24(36)37/h5-7,9,12-13,16-19,31H,8,10-11,25-26H2,1-4H3,(H,27,33)(H,28,34)(H,29,35)(H,30,32)(H,36,37)/t16-,17-,18?,19-/m0/s1 IOPIZOANGNAAEY-WPOPZESYSA-N 50333393 3-(3-{(S)-2-[(S)-2-((S)-2,3-Diamino-propionylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-2-hydroxypropionylamino)-benzoic acid::CHEMBL1645519 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2010.11.042 10.7270/Q2SB461N 21183353 Wangsell, F; Nordeman, P; Savmarker, J; Emanuelsson, R; Jansson, K; Lindberg, J; Rosenquist, S; Samuelsson, B; Larhed, M Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53322100 125083495 CHEMBL1645519 ZINC66260166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161007 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O InChI=1S/C24H46N4O5S/c1-8-9-11-25-22(31)16(4)14-21(30)20(13-15(2)3)28-24(33)19(10-12-34-7)27-23(32)17(5)26-18(6)29/h15-17,19-21,30H,8-14H2,1-7H3,(H,25,31)(H,26,29)(H,27,32)(H,28,33)/t16-,17+,19+,20+,21+/m1/s1 IUSGWDAMBBJURY-DIZVHYTASA-N 50313796 (2R,4S,5S)-5-((S)-2-((S)-2-acetamidopropanamido)-4-(methylthio)butanamido)-N-butyl-4-hydroxy-2,7-dimethyloctanamide::CHEMBL1088215 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881519 104148157 CHEMBL1088215 C04341 ZINC49055081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161008 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 InChI=1S/C34H49N3O3/c1-24(2)27-14-8-13-26(19-27)22-35-23-31(38)30(20-25-11-6-5-7-12-25)36-33(40)28-15-9-16-29(21-28)34(3,4)37-18-10-17-32(37)39/h5-8,11-14,19,24,28-31,35,38H,9-10,15-18,20-23H2,1-4H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 ZTFBNTHPVBDCAM-BHSUFKTOSA-N 50313805 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopyrrolidin-1-yl)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077236 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881693 104148166 CHEMBL1077236 ZINC49777692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161009 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)C(C)C InChI=1S/C26H50N4O5S/c1-9-10-12-27-24(33)18(6)15-22(32)21(14-16(2)3)30-25(34)20(11-13-36-8)29-26(35)23(17(4)5)28-19(7)31/h16-18,20-23,32H,9-15H2,1-8H3,(H,27,33)(H,28,31)(H,29,35)(H,30,34)/t18-,20+,21+,22+,23+/m1/s1 CZCCRMUAYOHILJ-PMAMDCHESA-N 50313797 (2R,4S,5S)-5-((S)-2-((S)-2-acetamido-3-methylbutanamido)-4-(methylthio)butanamido)-N-butyl-4-hydroxy-2,7-dimethyloctanamide::CHEMBL1097007 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881567 104148158 CHEMBL1097007 ZINC49783964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161010 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O InChI=1S/C27H52N4O5S/c1-9-10-12-28-25(34)19(6)16-24(33)22(14-17(2)3)31-26(35)21(11-13-37-8)30-27(36)23(15-18(4)5)29-20(7)32/h17-19,21-24,33H,9-16H2,1-8H3,(H,28,34)(H,29,32)(H,30,36)(H,31,35)/t19-,21+,22+,23+,24+/m1/s1 PEWRQHFGBBTOMS-FFYZIMEISA-N 50313798 (2R,4S,5S)-5-((S)-2-((S)-2-acetamido-4-methylpentanamido)-4-(methylthio)butanamido)-N-butyl-4-hydroxy-2,7-dimethyloctanamide::CHEMBL1097361::N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XLI 3K5D 45259043 104148159 CHEMBL1097361 ZINC44460279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161011 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O InChI=1S/C25H48N4O5/c1-9-10-11-26-23(32)17(6)14-22(31)20(12-15(2)3)29-24(33)18(7)27-25(34)21(13-16(4)5)28-19(8)30/h15-18,20-22,31H,9-14H2,1-8H3,(H,26,32)(H,27,34)(H,28,30)(H,29,33)/t17-,18+,20+,21+,22+/m1/s1 YBUAWZQWIXYUFU-NQOGSSOHSA-N 16077 (2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]propanamido]-4-hydroxy-2,7-dimethyloctanamide::open-chain analog 103 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16077&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23647295 46516338 ZINC14960540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161012 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C(C)(C)NC(C)=O InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1 NGUMIHCAWWHVPZ-MTKOPPBXSA-N 50313800 (1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide::(1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide::CHEMBL1093388 Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AYH 3K5F 45259044 104148161 CHEMBL1093388 ZINC44460280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161013 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32+/m1/s1 MFPZDLDVZIAMTN-ZLESDFJESA-N 50313806 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopiperidin-1-yl)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077237 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46844428 104148167 CHEMBL1077237 ZINC49777770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161014 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)[C@@H](NC(C)=O)C(C)C InChI=1S/C30H49N3O4/c1-6-7-16-31-29(36)21(4)17-27(35)26(18-23-12-9-8-10-13-23)33-30(37)25-15-11-14-24(19-25)28(20(2)3)32-22(5)34/h8-10,12-13,20-21,24-28,35H,6-7,11,14-19H2,1-5H3,(H,31,36)(H,32,34)(H,33,37)/t21-,24+,25-,26+,27+,28+/m1/s1 YCKCGNOTIFRWCX-BLBYSKFESA-N 50313799 (1R,3S)-3-((S)-1-acetamido-2-methylpropyl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide::CHEMBL1092504 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46217866 104148160 CHEMBL1092504 ZINC49781104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161015 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(C)=O)c1 InChI=1S/C32H47N3O3/c1-22(2)26-14-9-13-25(17-26)20-33-21-30(37)29(18-24-11-7-6-8-12-24)34-31(38)27-15-10-16-28(19-27)32(4,5)35-23(3)36/h6-9,11-14,17,22,27-30,33,37H,10,15-16,18-21H2,1-5H3,(H,34,38)(H,35,36)/t27-,28+,29+,30+/m1/s1 JKZUWZCUDKMAKA-RYTSNQFKSA-N 50313802 (1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)cyclohexanecarboxamide::CHEMBL1084154 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881691 104148163 CHEMBL1084154 ZINC49792976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161016 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 InChI=1S/C34H49N3O3/c1-24(2)27-14-8-13-26(19-27)22-35-23-31(38)30(20-25-11-6-5-7-12-25)36-33(40)28-15-9-16-29(21-28)34(3,4)37-18-10-17-32(37)39/h5-8,11-14,19,24,28-31,35,38H,9-10,15-18,20-23H2,1-4H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 ZTFBNTHPVBDCAM-BHSUFKTOSA-N 50313805 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopyrrolidin-1-yl)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077236 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881693 104148166 CHEMBL1077236 ZINC49777692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161017 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C1(CCCC1)NC(C)=O InChI=1S/C31H49N3O4/c1-4-5-18-32-29(37)22(2)19-28(36)27(20-24-12-7-6-8-13-24)33-30(38)25-14-11-15-26(21-25)31(34-23(3)35)16-9-10-17-31/h6-8,12-13,22,25-28,36H,4-5,9-11,14-21H2,1-3H3,(H,32,37)(H,33,38)(H,34,35)/t22-,25-,26+,27+,28+/m1/s1 GHBPZWZTVLXXSE-RFSBGUOESA-N 50313801 (1R,3S)-3-(1-acetamidocyclopentyl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide::CHEMBL1084153 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881646 104148162 CHEMBL1084153 ZINC49775710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161018 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32+/m1/s1 MFPZDLDVZIAMTN-ZLESDFJESA-N 50313806 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopiperidin-1-yl)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077237 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46844428 104148167 CHEMBL1077237 ZINC49777770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161019 CCC(=O)NC(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C33H49N3O3/c1-6-31(38)36-33(4,5)28-17-11-16-27(20-28)32(39)35-29(19-24-12-8-7-9-13-24)30(37)22-34-21-25-14-10-15-26(18-25)23(2)3/h7-10,12-15,18,23,27-30,34,37H,6,11,16-17,19-22H2,1-5H3,(H,35,39)(H,36,38)/t27-,28+,29+,30+/m1/s1 PCVULHPMCAPMCJ-RYTSNQFKSA-N 50313803 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-propionamidopropan-2-yl)cyclohexanecarboxamide::CHEMBL1084432 Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881692 104148164 CHEMBL1084432 ZINC49777233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161020 CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C34H51N3O3/c1-7-32(39)37(6)34(4,5)29-18-12-17-28(21-29)33(40)36-30(20-25-13-9-8-10-14-25)31(38)23-35-22-26-15-11-16-27(19-26)24(2)3/h8-11,13-16,19,24,28-31,35,38H,7,12,17-18,20-23H2,1-6H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 LVGZIFOZGQDLRO-BHSUFKTOSA-N 50313804 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(N-methylpropionamido)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077232 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46844429 104148165 CHEMBL1077232 ZINC49792079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161021 CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C34H51N3O3/c1-7-32(39)37(6)34(4,5)29-18-12-17-28(21-29)33(40)36-30(20-25-13-9-8-10-14-25)31(38)23-35-22-26-15-11-16-27(19-26)24(2)3/h8-11,13-16,19,24,28-31,35,38H,7,12,17-18,20-23H2,1-6H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 LVGZIFOZGQDLRO-BHSUFKTOSA-N 50313804 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(N-methylpropionamido)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077232 Beta-secretase 1 Homo sapiens 660 ChEMBL 10.1016/j.bmcl.2010.01.139 10.7270/Q2TD9XHH 20172717 Hanessian, S; Shao, Z; Betschart, C; Rondeau, JM; Neumann, U; Tintelnot-Blomley, M Universit£ de Montr£al http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46844429 104148165 CHEMBL1077232 ZINC49792079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161026 C[C@@H](NC(=O)c1cc(CNC(=O)C(C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33FN4O4S/c1-19(22-10-12-24(29)13-11-22)32-26(34)23-14-21(15-25(16-23)33(3)38(4,36)37)18-31-27(35)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,35)(H,32,34)/t19-,28?/m1/s1 HTZKPKLJYLELSH-OJQMSQGESA-N 50313898 3-((2-amino-2-methyl-3-phenylpropylamino)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1082893 Beta-secretase 1 Homo sapiens 5720 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881749 104148259 CHEMBL1082893 ZINC49775559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161027 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(O)(CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(33)22-13-23(15-25(14-22)32(2)39(3,36)37)27(34)38-18-28(35,17-30)16-20-7-5-4-6-8-20/h4-15,19,35H,16-18,30H2,1-3H3,(H,31,33)/t19-,28?/m1/s1 WWWYAFACATVPMH-OJQMSQGESA-N 50313891 3-amino-2-benzyl-2-hydroxypropyl 3-((R)-1-(4-fluorophenyl)ethylcarbamoyl)-5-(N-methylmethylsulfonamido)benzoate::CHEMBL1087431 Beta-secretase 1 Homo sapiens 22200 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881490 104148252 CHEMBL1087431 ZINC49777456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161028 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NCC(O)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-27(35)23-13-22(14-25(15-23)32(2)39(3,37)38)26(34)30-17-28(36,18-33)16-20-7-5-4-6-8-20/h4-15,19,33,36H,16-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,28?/m1/s1 AIDCSWYNABJDHJ-OJQMSQGESA-N 50313890 CHEMBL1087432::N1-(2-benzyl-2,3-dihydroxypropyl)-N3-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)isophthalamide Beta-secretase 1 Homo sapiens 24900 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881491 104148251 CHEMBL1087432 ZINC49777458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161029 C[C@@H](NC(=O)c1cc(cc(c1)-c1nc(no1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-27(33-38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 VUPFGNXZZQQIIN-KWMCUTETSA-N 50313909 3-(3-((R)-2-amino-1-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1082894 Beta-secretase 1 Homo sapiens 1830 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11613697 104148270 CHEMBL1082894 ZINC49775561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161030 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28?/m1/s1 JVYHUOIVVLDSHT-OJQMSQGESA-N 16036 2-Amino-2-benzyl-3-hydroxypropyl-3-({[(1R)-1-(4-fluorophenyl)ethyl]amino}-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate::2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)benzoate::L-001151442::tertiary carbinamine ester 3 Beta-secretase 1 Homo sapiens 193 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2IS0 16094305 46516303 ZINC14960439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161031 COCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 InChI=1S/C29H36FN3O5S/c1-21(24-10-12-26(30)13-11-24)32-28(34)25-14-23(15-27(16-25)33(2)39(4,35)36)18-38-20-29(31,19-37-3)17-22-8-6-5-7-9-22/h5-16,21H,17-20,31H2,1-4H3,(H,32,34)/t21-,29?/m1/s1 WWPRRUFEAYIBJG-QYWNIODHSA-N 50313904 3-((2-amino-2-benzyl-3-methoxypropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1090060 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881612 104148265 CHEMBL1090060 ZINC49793426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161032 C[C@@H](NC(=O)c1cc(COC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O5S/c1-20(23-9-11-25(29)12-10-23)31-27(34)24-13-22(14-26(15-24)32(2)38(3,35)36)17-37-19-28(30,18-33)16-21-7-5-4-6-8-21/h4-15,20,33H,16-19,30H2,1-3H3,(H,31,34)/t20-,28-/m1/s1 KWOISCWHVUWIQV-PIIWDFAUSA-N 50313889 3-(((R)-2-amino-2-benzyl-3-hydroxypropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1086788 Beta-secretase 1 Homo sapiens 1370 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881492 104148250 CHEMBL1086788 ZINC49777507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161033 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1 QEJSJQVKMSAHHX-KWMCUTETSA-N 16041 3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::CHEMBL219601::L-001233771::oxadiazoyl tertiary carbinamine 8 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I02 2IRZ 11692473 46516308 CHEMBL219601 ZINC10339564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161034 C[C@@H](NC(=O)c1cc(COC[C@H](N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C27H32FN3O4S/c1-19(22-9-11-24(28)12-10-22)30-27(32)23-13-21(15-26(16-23)31(2)36(3,33)34)17-35-18-25(29)14-20-7-5-4-6-8-20/h4-13,15-16,19,25H,14,17-18,29H2,1-3H3,(H,30,32)/t19-,25-/m1/s1 QGPQPROZQHDVAL-KBMIEXCESA-N 50313903 3-(((R)-2-amino-3-phenylpropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1093085 Beta-secretase 1 Homo sapiens 10100 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881613 104148264 CHEMBL1093085 ZINC49071206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161035 C[C@@H](NC(=O)c1cc(cc(c1)-c1ncc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C29H31FN4O4S/c1-19(21-10-12-24(30)13-11-21)33-27(35)22-14-23(16-25(15-22)34(3)39(4,36)37)28-32-18-26(38-28)29(2,31)17-20-8-6-5-7-9-20/h5-16,18-19H,17,31H2,1-4H3,(H,33,35)/t19-,29-/m1/s1 XWKZFPZEUSXHQE-SONOPUAISA-N 50313896 3-(5-((R)-2-amino-1-phenylpropan-2-yl)oxazol-2-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1096683 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881795 104148257 CHEMBL1096683 ZINC49793676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161036 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(o1)C(C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C30H32FN3O4S/c1-20(22-10-12-25(31)13-11-22)33-29(35)24-16-23(17-26(18-24)34(3)39(4,36)37)27-14-15-28(38-27)30(2,32)19-21-8-6-5-7-9-21/h5-18,20H,19,32H2,1-4H3,(H,33,35)/t20-,30?/m1/s1 SPQNHSZTLTXJJP-UEWHNOOISA-N 50313895 3-(5-(2-amino-1-phenylpropan-2-yl)furan-2-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1092146 Beta-secretase 1 Homo sapiens 4 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11512310 104148256 CHEMBL1092146 ZINC49793402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161037 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc([nH]1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H31FN6O3S/c1-18(20-10-12-23(29)13-11-20)31-26(36)22-14-21(15-24(16-22)35(3)39(4,37)38)25-32-27(34-33-25)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,36)(H,32,33,34)/t18-,28-/m1/s1 HFGSXFMUOCGIOG-KWMCUTETSA-N 50313894 3-(5-((R)-2-amino-1-phenylpropan-2-yl)-1H-1,2,4-triazol-3-yl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1092147 Beta-secretase 1 Homo sapiens 4740 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11628169 104148255 CHEMBL1092147 ZINC49781107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161038 C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1 PTQRJCCBUDSHTQ-WHLCRQNOSA-N 16040 (3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)methyl (2R)-2-amino-2-methyl-3-phenylpropanoate::3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::tertiary carbinamine derived inhibitor 7 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 712 2PH6 16094313 46516307 ZINC14960453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161039 C[C@@H](NC(=O)c1cc(CNC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33FN4O5S/c1-19(22-9-11-24(29)12-10-22)32-26(35)23-13-21(14-25(15-23)33(2)39(3,37)38)17-31-27(36)28(30,18-34)16-20-7-5-4-6-8-20/h4-15,19,34H,16-18,30H2,1-3H3,(H,31,36)(H,32,35)/t19-,28?/m1/s1 LAZFBWADBQXRED-OJQMSQGESA-N 50313899 3-((2-amino-2-benzyl-3-hydroxypropanamido)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1085190 Beta-secretase 1 Homo sapiens 18100 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881697 104148260 CHEMBL1085190 ZINC49777349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161040 C[C@@H](NC(=O)c1cc(COCC(N)(CF)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33F2N3O4S/c1-20(23-9-11-25(30)12-10-23)32-27(34)24-13-22(14-26(15-24)33(2)38(3,35)36)17-37-19-28(31,18-29)16-21-7-5-4-6-8-21/h4-15,20H,16-19,31H2,1-3H3,(H,32,34)/t20-,28?/m1/s1 JHRQPLYTEMBTKO-HFLPEKOISA-N 50313901 3-((2-amino-2-benzyl-3-fluoropropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1093394 Beta-secretase 1 Homo sapiens 432 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11410190 104148262 CHEMBL1093394 ZINC49781358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161041 C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32F3N3O4S/c1-19(22-9-11-24(29)12-10-22)33-26(35)23-13-21(14-25(15-23)34(2)39(3,36)37)17-38-18-28(32,27(30)31)16-20-7-5-4-6-8-20/h4-15,19,27H,16-18,32H2,1-3H3,(H,33,35)/t19-,28?/m1/s1 XUQLLZRPXRLNKI-OJQMSQGESA-N 50313900 3-((2-amino-2-benzyl-3,3-difluoropropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1084135 Beta-secretase 1 Homo sapiens >20000 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11432989 104148261 CHEMBL1084135 ZINC49792784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161042 C[C@@H](NC(=O)c1cc(cc(c1)S(=O)(=O)CCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O6S2/c1-20(22-9-11-24(29)12-10-22)31-27(34)23-15-25(32(2)39(3,35)36)17-26(16-23)40(37,38)14-13-28(30,19-33)18-21-7-5-4-6-8-21/h4-12,15-17,20,33H,13-14,18-19,30H2,1-3H3,(H,31,34)/t20-,28?/m1/s1 IPHPXIDOPOXJRX-HFLPEKOISA-N 50313905 3-(3-amino-3-benzyl-4-hydroxybutylsulfonyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1083529 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881572 104148266 CHEMBL1083529 ZINC49775744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161043 C[C@@H](NC(=O)c1cc(CNC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H35FN4O4S/c1-20(23-9-11-25(29)12-10-23)32-27(35)24-13-22(14-26(15-24)33(2)38(3,36)37)17-31-18-28(30,19-34)16-21-7-5-4-6-8-21/h4-15,20,31,34H,16-19,30H2,1-3H3,(H,32,35)/t20-,28+/m1/s1 MFFYKCUQFUTDCE-NGOKVRLYSA-N 50313888 3-(((S)-2-amino-2-benzyl-3-hydroxypropylamino)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1083183 Beta-secretase 1 Homo sapiens 3470 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881524 104148249 CHEMBL1083183 ZINC49777137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161044 C[C@@H](NC(=O)c1cc(CNC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H35FN4O4S/c1-20(23-9-11-25(29)12-10-23)32-27(35)24-13-22(14-26(15-24)33(2)38(3,36)37)17-31-18-28(30,19-34)16-21-7-5-4-6-8-21/h4-15,20,31,34H,16-19,30H2,1-3H3,(H,32,35)/t20-,28+/m1/s1 MFFYKCUQFUTDCE-NGOKVRLYSA-N 50313888 3-(((S)-2-amino-2-benzyl-3-hydroxypropylamino)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1083183 Beta-secretase 1 Homo sapiens 10100 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881524 104148249 CHEMBL1083183 ZINC49777137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161045 C[C@@H](NC(=O)c1cc(CCC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C29H36FN3O4S/c1-21(24-11-13-26(30)14-12-24)32-28(35)25-16-23(17-27(18-25)33(2)38(3,36)37)10-7-15-29(31,20-34)19-22-8-5-4-6-9-22/h4-6,8-9,11-14,16-18,21,34H,7,10,15,19-20,31H2,1-3H3,(H,32,35)/t21-,29-/m1/s1 LRCBUQIMNATGBU-ONOMSOESSA-N 50313887 3-((R)-4-amino-4-benzyl-5-hydroxypentyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1083184 Beta-secretase 1 Homo sapiens 22400 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881525 104148248 CHEMBL1083184 ZINC49777138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161046 C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O4S/c1-20(23-10-12-25(29)13-11-23)31-27(33)24-14-22(15-26(16-24)32(3)37(4,34)35)18-36-19-28(2,30)17-21-8-6-5-7-9-21/h5-16,20H,17-19,30H2,1-4H3,(H,31,33)/t20-,28-/m1/s1 HEVVQTLSQHWKDS-PIIWDFAUSA-N 16039 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{[(2R)-2-amino-2-benzylpropoxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::tertiary carbinamine derived inhibitor 6 Beta-secretase 1 Homo sapiens 138 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16094307 46516306 ZINC14960451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161047 C[C@@H](NC(=O)c1cc(COCC(N)(CF)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H33F2N3O4S/c1-20(23-9-11-25(30)12-10-23)32-27(34)24-13-22(14-26(15-24)33(2)38(3,35)36)17-37-19-28(31,18-29)16-21-7-5-4-6-8-21/h4-15,20H,16-19,31H2,1-3H3,(H,32,34)/t20-,28?/m1/s1 JHRQPLYTEMBTKO-HFLPEKOISA-N 50313901 3-((2-amino-2-benzyl-3-fluoropropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1093394 Beta-secretase 1 Homo sapiens 997 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11410190 104148262 CHEMBL1093394 ZINC49781358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161048 C[C@@H](NC(=O)c1cc(NCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H35FN4O4S/c1-20(22-9-11-24(29)12-10-22)32-27(35)23-15-25(17-26(16-23)33(2)38(3,36)37)31-14-13-28(30,19-34)18-21-7-5-4-6-8-21/h4-12,15-17,20,31,34H,13-14,18-19,30H2,1-3H3,(H,32,35)/t20-,28?/m1/s1 WGADIRVPWBCVGT-HFLPEKOISA-N 50313907 3-(3-amino-3-benzyl-4-hydroxybutylamino)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1089043 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881570 104148268 CHEMBL1089043 ZINC49780688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161049 C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32F3N3O4S/c1-19(22-9-11-24(29)12-10-22)33-26(35)23-13-21(14-25(15-23)34(2)39(3,36)37)17-38-18-28(32,27(30)31)16-20-7-5-4-6-8-20/h4-15,19,27H,16-18,32H2,1-3H3,(H,33,35)/t19-,28?/m1/s1 XUQLLZRPXRLNKI-OJQMSQGESA-N 50313900 3-((2-amino-2-benzyl-3,3-difluoropropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1084135 Beta-secretase 1 Homo sapiens 925 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11432989 104148261 CHEMBL1084135 ZINC49792784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161050 C[C@@H](NC(=O)c1cc(SCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O4S2/c1-20(22-9-11-24(29)12-10-22)31-27(34)23-15-25(32(2)38(3,35)36)17-26(16-23)37-14-13-28(30,19-33)18-21-7-5-4-6-8-21/h4-12,15-17,20,33H,13-14,18-19,30H2,1-3H3,(H,31,34)/t20-,28?/m1/s1 FZMBGLPCAYNJMK-HFLPEKOISA-N 50313906 3-(3-amino-3-benzyl-4-hydroxybutylthio)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1092153 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881571 104148267 CHEMBL1092153 ZINC49781214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161051 C[C@@H](NC(=O)c1cc(COC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(22-9-11-24(29)12-10-22)31-26(34)23-13-21(14-25(15-23)32(2)39(3,36)37)17-38-27(35)28(30,18-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28?/m1/s1 BTLIREXMGMYALU-OJQMSQGESA-N 50313897 3-((R)-1-(4-fluorophenyl)ethylcarbamoyl)-5-(N-methylmethylsulfonamido)benzyl 2-amino-2-benzyl-3-hydroxypropanoate::CHEMBL1082547 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881696 104148258 CHEMBL1082547 ZINC49777294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161052 C[C@@H](NC(=O)c1cc(COC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H32FN3O6S/c1-19(22-9-11-24(29)12-10-22)31-26(34)23-13-21(14-25(15-23)32(2)39(3,36)37)17-38-27(35)28(30,18-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28?/m1/s1 BTLIREXMGMYALU-OJQMSQGESA-N 50313897 3-((R)-1-(4-fluorophenyl)ethylcarbamoyl)-5-(N-methylmethylsulfonamido)benzyl 2-amino-2-benzyl-3-hydroxypropanoate::CHEMBL1082547 Beta-secretase 1 Homo sapiens 684 7.2 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881696 104148258 CHEMBL1082547 ZINC49777294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50161053 C[C@@H](NC(=O)c1cc(OCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 InChI=1S/C28H34FN3O5S/c1-20(22-9-11-24(29)12-10-22)31-27(34)23-15-25(32(2)38(3,35)36)17-26(16-23)37-14-13-28(30,19-33)18-21-7-5-4-6-8-21/h4-12,15-17,20,33H,13-14,18-19,30H2,1-3H3,(H,31,34)/t20-,28?/m1/s1 ODGAGVBZJZEVES-HFLPEKOISA-N 50313908 3-(3-amino-3-benzyl-4-hydroxybutoxy)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1083498 Beta-secretase 1 Homo sapiens 70500 ChEMBL 10.1016/j.bmcl.2010.01.137 10.7270/Q21Z44JX 20176482 Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46881526 104148269 CHEMBL1083498 ZINC49777194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174175 O=C(CSc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1)c1c[nH]c2ccccc12 InChI=1S/C28H23N5OS/c34-26(23-16-30-25-13-7-5-11-22(23)25)18-35-28-32-31-27(33(28)17-19-8-2-1-3-9-19)14-20-15-29-24-12-6-4-10-21(20)24/h1-13,15-16,29-30H,14,17-18H2 YHGVDBOUQMZJIV-UHFFFAOYSA-N 50346131 2-(5-((1H-indol-3-yl)methyl)-4-benzyl-4H-1,2,4-triazol-3-ylthio)-1-(1H-indol-3-yl)ethanone::CHEMBL1782315 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1047096 131349062 CHEMBL1782315 ZINC00721922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174176 [O-][N+](=O)c1cccc(NC(=O)CSc2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)c1 InChI=1S/C26H18N4O3S/c27-16-23-22(18-8-3-1-4-9-18)15-24(19-10-5-2-6-11-19)29-26(23)34-17-25(31)28-20-12-7-13-21(14-20)30(32)33/h1-15H,17H2,(H,28,31) KWPZJHDJDNNJCS-UHFFFAOYSA-N 50346133 2-(3-cyano-4,6-diphenylpyridin-2-ylthio)-N-(3-nitrophenyl)acetamide::CHEMBL1782317 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1733213 131349064 CHEMBL1782317 ZINC08435414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174177 Clc1ccc(Cn2cc(cn2)N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1Cl InChI=1S/C22H15Br2Cl2N3O4S2/c23-16-2-6-19(7-3-16)34(30,31)29(35(32,33)20-8-4-17(24)5-9-20)18-12-27-28(14-18)13-15-1-10-21(25)22(26)11-15/h1-12,14H,13H2 CJFOTKBNGZVNHH-UHFFFAOYSA-N 50346132 4-bromo-N-(4-bromophenylsulfonyl)-N-(1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl)benzenesulfonamide::CHEMBL1782316 Beta-secretase 1 Homo sapiens 90000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4415300 131349063 CHEMBL1782316 ZINC08455492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174178 Fc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1 InChI=1S/C28H31FN8OS2/c29-20-9-3-4-10-21(20)31-24(38)18-39-28-32-22-12-11-19(17-23(22)40-28)30-25-33-26(36-13-5-1-6-14-36)35-27(34-25)37-15-7-2-8-16-37/h3-4,9-12,17H,1-2,5-8,13-16,18H2,(H,31,38)(H,30,33,34,35) QAIMXGRABZAGBL-UHFFFAOYSA-N 50346135 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(2-fluorophenyl)acetamide::CHEMBL1782319 Beta-secretase 1 Homo sapiens 10200 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4253932 131349066 CHEMBL1782319 ZINC08438285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174179 Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(cs3)-c3ccccc3)n2C)cc1 InChI=1S/C23H22N6O2S2/c1-15-8-10-17(11-9-15)24-20(30)12-19-27-28-23(29(19)2)33-14-21(31)26-22-25-18(13-32-22)16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3,(H,24,30)(H,25,26,31) UUVGORWUJOEGHW-UHFFFAOYSA-N 50346134 2-(4-methyl-5-(2-oxo-2-(4-phenylthiazol-2-ylamino)ethylthio)-4H-1,2,4-triazol-3-yl)-N-p-tolylacetamide::CHEMBL1782318 Beta-secretase 1 Homo sapiens 21000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4373382 131349065 CHEMBL1782318 ZINC08442180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174180 Cc1cc(C)nc(NC(Nc2cccc(c2)[N+]([O-])=O)=NC(=O)N2c3ccccc3Sc3ccccc23)n1 InChI=1S/C26H21N7O3S/c1-16-14-17(2)28-24(27-16)30-25(29-18-8-7-9-19(15-18)33(35)36)31-26(34)32-20-10-3-5-12-22(20)37-23-13-6-4-11-21(23)32/h3-15H,1-2H3,(H2,27,28,29,30,31,34) SQOLEEWNZSMGAF-UHFFFAOYSA-N 50346125 CHEMBL1782310::N-((4,6-dimethylpyrimidin-2-ylamino)(3-nitrophenylamino)methylene)-10H-phenothiazine-10-carboxamide Beta-secretase 1 Homo sapiens 28600 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6513352 131349056 CHEMBL1782310 ZINC17160059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174181 FC(F)(C(=O)Nc1sc2CCCCCCc2c1C#N)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2CCCCCCc2c1C#N InChI=1S/C28H26F8N4O2S2/c29-25(30,23(41)39-21-17(13-37)15-9-5-1-3-7-11-19(15)43-21)27(33,34)28(35,36)26(31,32)24(42)40-22-18(14-38)16-10-6-2-4-8-12-20(16)44-22/h1-12H2,(H,39,41)(H,40,42) XTZIDZWATABSGT-UHFFFAOYSA-N 50346137 CHEMBL1782321::N1,N6-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediamide Beta-secretase 1 Homo sapiens 12200 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4573536 131349068 CHEMBL1782321 ZINC08397773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174182 Clc1cccc(Cc2cnc(NC(=O)c3ccc(CSc4nnc(-c5ccncc5)n4-c4ccccc4)cc3)s2)c1Cl InChI=1S/C31H22Cl2N6OS2/c32-26-8-4-5-23(27(26)33)17-25-18-35-30(42-25)36-29(40)22-11-9-20(10-12-22)19-41-31-38-37-28(21-13-15-34-16-14-21)39(31)24-6-2-1-3-7-24/h1-16,18H,17,19H2,(H,35,36,40) SNKWIWHCDHQOKB-UHFFFAOYSA-N 50346124 CHEMBL1782309::N-(5-(2,3-dichlorobenzyl)thiazol-2-yl)-4-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio)methyl)benzamide Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5181282 131349055 CHEMBL1782309 ZINC08399839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174184 CCc1nnc(NC(=O)CSc2nc(cc(-c3ccccc3)c2C#N)-c2ccc(F)cc2)s1 InChI=1S/C24H18FN5OS2/c1-2-22-29-30-24(33-22)28-21(31)14-32-23-19(13-26)18(15-6-4-3-5-7-15)12-20(27-23)16-8-10-17(25)11-9-16/h3-12H,2,14H2,1H3,(H,28,30,31) LGBTZTVEMHLZST-UHFFFAOYSA-N 50346127 2-(3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-ylthio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide::CHEMBL1504056 Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1717763 131349058 CHEMBL1504056 ZINC08448587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174185 O=C(COC(=O)CSc1nc(cc(n1)-c1ccccc1)-c1ccccc1)Nc1sc2CCCCc2c1C#N InChI=1S/C29H24N4O3S2/c30-16-22-21-13-7-8-14-25(21)38-28(22)33-26(34)17-36-27(35)18-37-29-31-23(19-9-3-1-4-10-19)15-24(32-29)20-11-5-2-6-12-20/h1-6,9-12,15H,7-8,13-14,17-18H2,(H,33,34) UVOFFIFUGBNYOK-UHFFFAOYSA-N 50346136 2-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylamino)-2-oxoethyl 2-(4,6-diphenylpyrimidin-2-ylthio)acetate::CHEMBL1782320 Beta-secretase 1 Homo sapiens 34500 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3921980 131349067 CHEMBL1782320 ZINC71281775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174186 COc1ccc(CCNC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1OC InChI=1S/C32H40N8O3S2/c1-42-25-12-9-22(19-26(25)43-2)13-14-33-28(41)21-44-32-35-24-11-10-23(20-27(24)45-32)34-29-36-30(39-15-5-3-6-16-39)38-31(37-29)40-17-7-4-8-18-40/h9-12,19-20H,3-8,13-18,21H2,1-2H3,(H,33,41)(H,34,36,37,38) UHWNBAWBSGYSFV-UHFFFAOYSA-N 50329115 2-(6-(4,6-di(piperidin-1-yl)-1,3,5-triazin-2-ylamino)benzo[d]thiazol-2-ylthio)-N-(3,4-dimethoxyphenethyl)acetamide::CHEMBL1269608 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4557993 123108230 CHEMBL1269608 ZINC08438283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174187 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 CQTBDEGWLSDJEP-JMAXQNTPSA-N 50100436 CHEMBL412768::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149643 103997206 CHEMBL412768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174188 COc1ccc(cc1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(SCC(=O)N(c2ccccc2)c2ccc3ccccc3c2)n1 InChI=1S/C37H26ClN3O2S/c1-43-32-19-14-27(15-20-32)35-22-33(26-11-16-29(38)17-12-26)34(23-39)37(40-35)44-24-36(42)41(30-9-3-2-4-10-30)31-18-13-25-7-5-6-8-28(25)21-31/h2-22H,24H2,1H3 DTSMWMHXVPOCNT-UHFFFAOYSA-N 50346128 2-(4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-ylthio)-N-(naphthalen-2-yl)-N-phenylacetamide::CHEMBL1782312 Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3131985 131349059 CHEMBL1782312 ZINC06157007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174189 Fc1ccc(cc1)-c1cc(nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N)-c1ccccc1 InChI=1S/C30H28FN3OS/c31-24-8-6-22(7-9-24)25-13-27(23-4-2-1-3-5-23)33-29(26(25)17-32)36-18-28(35)34-30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,13,19-21H,10-12,14-16,18H2,(H,34,35) BCTBPZMGPBMYQZ-UHFFFAOYSA-N 50346126 CHEMBL1782311::N-Adamantan-1-yl-2-[3-cyano-4-(4-fluoro-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-acetamide Beta-secretase 1 Homo sapiens 118000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4538151 131349057 CHEMBL1782311 ZINC08448580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174190 Cc1nc(NC(NC(=O)Nc2ccccc2)=NC(=O)Nc2ccccc2)nc2ccccc12 InChI=1S/C24H21N7O2/c1-16-19-14-8-9-15-20(19)28-21(25-16)29-22(30-23(32)26-17-10-4-2-5-11-17)31-24(33)27-18-12-6-3-7-13-18/h2-15H,1H3,(H4,25,26,27,28,29,30,31,32,33) AGXZZJOGIFNFEQ-UHFFFAOYSA-N 50346130 CHEMBL1782314 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5558983 131349061 CHEMBL1782314 ZINC08836022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174191 Cc1nn(c(Cl)c1C1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1)-c1ccccc1 InChI=1S/C27H21ClN6OS/c1-17-22(24(28)34(33-17)19-12-6-3-7-13-19)25-29-21-15-9-8-14-20(21)23-26(35-25)30-27(32-31-23)36-16-18-10-4-2-5-11-18/h2-15,25,29H,16H2,1H3 KUCNQAWXKKEWKJ-UHFFFAOYSA-N 50346129 3-(benzylthio)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepine::CHEMBL1782313 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmcl.2009.04.113 10.7270/Q22807X0 19447035 Xu, W; Chen, G; Liew, OW; Zuo, Z; Jiang, H; Zhu, W Singapore Polytechnic http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6411782 131349060 CHEMBL1782313 ZINC02073732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176481 CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24) JCEVTYZGXQGFEM-UHFFFAOYSA-N 50352867 CHEMBL1824357 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672299 136359553 CHEMBL1824357 ZINC72183186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176482 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23) PDTDVARFGYKUMS-UHFFFAOYSA-N 50352847 CHEMBL1824358 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672300 136359533 CHEMBL1824358 ZINC72177496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176483 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cnccn1 InChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,14-5-8-25-11-14)13-4-2-3-12(9-13)15-10-20-6-7-21-15/h2-11H,1H3,(H2,19,22) NXXHXFSKVSTXAG-UHFFFAOYSA-N 50352848 CHEMBL1824359 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675695 136359534 CHEMBL1824359 ZINC72179416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176484 CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N5O2S/c1-3-17(27)18-8-16(11-29-18)21(19(28)26(2)20(22)25-21)15-6-4-5-13(7-15)14-9-23-12-24-10-14/h4-12H,3H2,1-2H3,(H2,22,25) QKCQMQCRKHZUPK-UHFFFAOYSA-N 50352884 CHEMBL1824353 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672298 136359570 CHEMBL1824353 ZINC72183325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176485 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1 InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,16-7-9-25-12-16)15-6-2-4-13(10-15)14-5-3-8-21-11-14/h2-12H,1H3,(H2,20,22) AOGBXAFIKRFUPJ-UHFFFAOYSA-N 50352885 CHEMBL1824354 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 532 3S7M 15949919 136359571 CHEMBL1824354 ZINC34803241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176486 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23) VCKGJRZFNMIOEB-UHFFFAOYSA-N 50352886 CHEMBL1824355 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661919 136359572 CHEMBL1824355 ZINC72183327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176487 CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1 InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-6-8-26-11-14)13-4-5-16(20)15(9-13)12-3-2-7-22-10-12/h2-11H,1H3,(H2,21,23) SXYPETJOWBBGQK-UHFFFAOYSA-N 50352866 CHEMBL1824356 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56679000 136359552 CHEMBL1824356 ZINC72183329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176488 CCc1cc(c(C)s1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H21N5OS/c1-4-17-9-18(13(2)28-17)21(19(27)26(3)20(22)25-21)16-7-5-6-14(8-16)15-10-23-12-24-11-15/h5-12H,4H2,1-3H3,(H2,22,25) VLFTWHOZHAMTTE-UHFFFAOYSA-N 50352881 CHEMBL1824350 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675694 136359567 CHEMBL1824350 ZINC72183042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174311 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1 FSQSHDXWJKXBPP-XZWHSSHBSA-N 15797 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)-propyl]-5-methyl -N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-iodophenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL373533::hydroxyethyl secondary amine (HEA) inhibitor 6b Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2011.05.007 10.7270/Q22Z15W0 21621412 Monceaux, CJ; Hirata-Fukae, C; Lam, PC; Totrov, MM; Matsuoka, Y; Carlier, PR Virginia Tech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search F2I 2IQG 11628951 46516082 CHEMBL373533 ZINC24904840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174312 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.05.007 10.7270/Q22Z15W0 21621412 Monceaux, CJ; Hirata-Fukae, C; Lam, PC; Totrov, MM; Matsuoka, Y; Carlier, PR Virginia Tech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174313 OC1CC(Nc2cccc(c2)-c2cn(nn2)[C@H](CNCc2cccc(Br)c2)Cc2ccccc2)C(O)CC1Nc1cccc(c1)C#C InChI=1S/C38H39BrN6O2/c1-2-26-11-7-15-31(18-26)41-34-21-38(47)35(22-37(34)46)42-32-16-8-13-29(20-32)36-25-45(44-43-36)33(19-27-9-4-3-5-10-27)24-40-23-28-12-6-14-30(39)17-28/h1,3-18,20,25,33-35,37-38,40-42,46-47H,19,21-24H2/t33-,34?,35?,37?,38?/m0/s1 RUGFNHQZILQKGD-NOECDHMVSA-N 50346959 CHEMBL1795873 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.bmcl.2011.05.007 10.7270/Q22Z15W0 21621412 Monceaux, CJ; Hirata-Fukae, C; Lam, PC; Totrov, MM; Matsuoka, Y; Carlier, PR Virginia Tech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56680040 136353645 CHEMBL1795873 ZINC72175183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174314 OC1CC(O)C(CC1Nc1cccc(c1)C#C)Nc1cccc(c1)-c1cn(nn1)[C@H](CNCc1cccc(Br)c1)Cc1ccccc1 InChI=1S/C38H39BrN6O2/c1-2-26-11-7-15-31(18-26)41-34-21-35(38(47)22-37(34)46)42-32-16-8-13-29(20-32)36-25-45(44-43-36)33(19-27-9-4-3-5-10-27)24-40-23-28-12-6-14-30(39)17-28/h1,3-18,20,25,33-35,37-38,40-42,46-47H,19,21-24H2/t33-,34?,35?,37?,38?/m0/s1 MTQZRUPTXKMEGE-NOECDHMVSA-N 50346960 CHEMBL1795874 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2011.05.007 10.7270/Q22Z15W0 21621412 Monceaux, CJ; Hirata-Fukae, C; Lam, PC; Totrov, MM; Matsuoka, Y; Carlier, PR Virginia Tech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56663019 136353646 CHEMBL1795874 ZINC72175694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174315 COc1cccc(CNC[C@H](Cc2ccccc2)n2cc(nn2)-c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H40N6O4S/c1-26(29-15-9-6-10-16-29)38-36(43)31-20-30(21-32(22-31)41(2)47(4,44)45)35-25-42(40-39-35)33(18-27-12-7-5-8-13-27)24-37-23-28-14-11-17-34(19-28)46-3/h5-17,19-22,25-26,33,37H,18,23-24H2,1-4H3,(H,38,43)/t26-,33+/m1/s1 SYQOYHREUKLDAM-NYFMKLKXSA-N 50346957 CHEMBL1795871 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmcl.2011.05.007 10.7270/Q22Z15W0 21621412 Monceaux, CJ; Hirata-Fukae, C; Lam, PC; Totrov, MM; Matsuoka, Y; Carlier, PR Virginia Tech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53307133 136353643 CHEMBL1795871 ZINC72176269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50174316 C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(nn1)[C@H](CNCc1cccc(Br)c1)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C35H37BrN6O3S/c1-25(28-14-8-5-9-15-28)38-35(43)30-19-29(20-32(21-30)41(2)46(3,44)45)34-24-42(40-39-34)33(18-26-11-6-4-7-12-26)23-37-22-27-13-10-16-31(36)17-27/h4-17,19-21,24-25,33,37H,18,22-23H2,1-3H3,(H,38,43)/t25-,33+/m1/s1 ZJUGXFYQRWKLPE-HPMVVLTCSA-N 50346958 CHEMBL1795872 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2011.05.007 10.7270/Q22Z15W0 21621412 Monceaux, CJ; Hirata-Fukae, C; Lam, PC; Totrov, MM; Matsuoka, Y; Carlier, PR Virginia Tech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50346958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50346958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53307134 136353644 CHEMBL1795872 ZINC72176865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176662 CN1C(N)=NC(C1=O)(c1csc(Cl)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C18H14ClN5OS/c1-24-16(25)18(23-17(24)20,14-6-15(19)26-9-14)13-4-2-3-11(5-13)12-7-21-10-22-8-12/h2-10H,1H3,(H2,20,23) ABAOMGTVATUZIR-UHFFFAOYSA-N 50352882 CHEMBL1824351 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661918 136359568 CHEMBL1824351 ZINC72183503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176663 CN1C(N)=NC(C1=O)(c1cc(C)sc1Cl)c1cccc(c1)-c1cncnc1 InChI=1S/C19H16ClN5OS/c1-11-6-15(16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(7-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24) ZWXIWSLPGZVVNP-UHFFFAOYSA-N 50352883 CHEMBL1824352 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658437 136359569 CHEMBL1824352 ZINC72183505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176664 CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H23FN6O/c1-29-21(31)23(28-22(29)25,17-13-27-30(14-17)18-8-2-3-9-18)16-7-4-6-15(12-16)19-10-5-11-26-20(19)24/h4-7,10-14,18H,2-3,8-9H2,1H3,(H2,25,28) APLGTNIWHISFNN-UHFFFAOYSA-N 50352876 CHEMBL1824345 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56665390 136359562 CHEMBL1824345 ZINC72183163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176665 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cncnc1 InChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,15-5-6-25-10-15)14-4-2-3-12(7-14)13-8-20-11-21-9-13/h2-11H,1H3,(H2,19,22) GCIHPVGAAJVLEF-UHFFFAOYSA-N 50352877 CHEMBL1824346 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658436 136359563 CHEMBL1824346 ZINC72177500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176666 CCC(CC)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C24H27FN6O/c1-4-16(5-2)14-31-15-19(13-28-31)24(22(32)30(3)23(26)29-24)18-9-6-8-17(12-18)20-10-7-11-27-21(20)25/h6-13,15-16H,4-5,14H2,1-3H3,(H2,26,29) YZUUNTCUAMHFQT-UHFFFAOYSA-N 50352874 CHEMBL1824343 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668819 136359560 CHEMBL1824343 ZINC72182745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176682 CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H23FN6O/c1-3-4-11-29-14-17(13-26-29)22(20(30)28(2)21(24)27-22)16-8-5-7-15(12-16)18-9-6-10-25-19(18)23/h5-10,12-14H,3-4,11H2,1-2H3,(H2,24,27) FSNVWNQXKNFHPF-UHFFFAOYSA-N 50352875 CHEMBL1824344 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950004 136359561 CHEMBL1824344 ZINC34803417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176683 CCc1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C20H19N5OS/c1-3-17-8-16(11-27-17)20(18(26)25(2)19(21)24-20)15-6-4-5-13(7-15)14-9-22-12-23-10-14/h4-12H,3H2,1-2H3,(H2,21,24) GAYCZOAOOLHOPO-UHFFFAOYSA-N 50352880 CHEMBL1824349 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668820 136359566 CHEMBL1824349 ZINC72183040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176684 CN1C(N)=NC(C1=O)(c1csc(C)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H17N5OS/c1-12-6-16(10-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(7-15)14-8-21-11-22-9-14/h3-11H,1-2H3,(H2,20,23) UDYLXYFIJLPZAV-UHFFFAOYSA-N 50352878 CHEMBL1824347 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56682313 136359564 CHEMBL1824347 ZINC72183165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176685 CN1C(N)=NC(C1=O)(c1ccsc1C)c1cccc(c1)-c1cncnc1 InChI=1S/C19H17N5OS/c1-12-16(6-7-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(8-15)14-9-21-11-22-10-14/h3-11H,1-2H3,(H2,20,23) AWSZXXRYNSNVQU-UHFFFAOYSA-N 50352879 CHEMBL1824348 Beta-secretase 1 Homo sapiens 1310 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678999 136359565 CHEMBL1824348 ZINC72183167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176686 CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cncnc1 InChI=1S/C22H23N7O/c1-28-20(30)22(27-21(28)23,18-12-26-29(13-18)19-7-2-3-8-19)17-6-4-5-15(9-17)16-10-24-14-25-11-16/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,23,27) RSBLHFREHLCSDX-UHFFFAOYSA-N 50352864 CHEMBL1824142 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672294 136359550 CHEMBL1824142 ZINC72181010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176687 CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1 IKJXVRPWMOVIMY-FQEVSTJZSA-N 50352852 CHEMBL1824145 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675689 136359538 CHEMBL1824145 ZINC72182338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176688 CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C23H25FN6O/c1-15(2)9-11-30-14-18(13-27-30)23(21(31)29(3)22(25)28-23)17-7-4-6-16(12-17)19-8-5-10-26-20(19)24/h4-8,10,12-15H,9,11H2,1-3H3,(H2,25,28) KBZBWMIJRAOKSO-UHFFFAOYSA-N 50352872 CHEMBL1824341 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678998 136359558 CHEMBL1824341 ZINC72182877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176689 CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H27FN6O/c1-23(2,3)10-12-31-15-18(14-28-31)24(21(32)30(4)22(26)29-24)17-8-5-7-16(13-17)19-9-6-11-27-20(19)25/h5-9,11,13-15H,10,12H2,1-4H3,(H2,26,29) PKUREZXQXDANPA-UHFFFAOYSA-N 50352873 CHEMBL1824342 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658435 136359559 CHEMBL1824342 ZINC72182879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176690 CN1C(N)=NC(C1=O)(c1cnn(CCC2CCCCC2)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C25H29N7O/c1-31-23(33)25(30-24(31)26,21-9-5-8-19(12-21)20-13-27-17-28-14-20)22-15-29-32(16-22)11-10-18-6-3-2-4-7-18/h5,8-9,12-18H,2-4,6-7,10-11H2,1H3,(H2,26,30) IMPSJODCGOEHNO-UHFFFAOYSA-N 50352865 CHEMBL1824143 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56682312 136359551 CHEMBL1824143 ZINC72180463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176691 CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1 IKJXVRPWMOVIMY-HXUWFJFHSA-N 50352850 CHEMBL1824335 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668818 136359536 CHEMBL1824335 ZINC72182337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176692 CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H23FN6O/c1-14(2)12-29-13-17(11-26-29)22(20(30)28(3)21(24)27-22)16-7-4-6-15(10-16)18-8-5-9-25-19(18)23/h4-11,13-14H,12H2,1-3H3,(H2,24,27) FCODAEYPNNQDQH-UHFFFAOYSA-N 50352871 CHEMBL1824340 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950003 136359557 CHEMBL1824340 ZINC34803413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176693 CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26) SYHWIMVHWVXBDN-UHFFFAOYSA-N 50352849 CHEMBL1824360 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675696 136359535 CHEMBL1824360 ZINC72183355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176694 CCC(=O)c1cc(cs1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)/t22-/m0/s1 SYHWIMVHWVXBDN-QFIPXVFZSA-N 50352854 CHEMBL1824361 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668821 136359540 CHEMBL1824361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176695 CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H23N7O/c1-14(2)11-28-12-18(10-25-28)21(19(29)27(3)20(22)26-21)17-6-4-5-15(7-17)16-8-23-13-24-9-16/h4-10,12-14H,11H2,1-3H3,(H2,22,26) GJCACXYIYRCVKX-UHFFFAOYSA-N 50352860 CHEMBL1824138 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950005 136359546 CHEMBL1824138 ZINC34803422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176696 CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H25N7O/c1-15(2)7-8-29-13-19(12-26-29)22(20(30)28(3)21(23)27-22)18-6-4-5-16(9-18)17-10-24-14-25-11-17/h4-6,9-15H,7-8H2,1-3H3,(H2,23,27) DUYKHVPWTFUMKA-UHFFFAOYSA-N 50352861 CHEMBL1824139 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658717 136359547 CHEMBL1824139 ZINC72179237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176697 CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1 IKJXVRPWMOVIMY-HXUWFJFHSA-N 50352850 CHEMBL1824335 Beta-secretase 1 Homo sapiens >2500 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668818 136359536 CHEMBL1824335 ZINC72182337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176698 CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C19H15F4N7O/c1-29-16(31)19(28-17(29)24,13-7-27-30(8-13)9-18(21,22)23)12-2-3-15(20)14(4-12)11-5-25-10-26-6-11/h2-8,10H,9H2,1H3,(H2,24,28) FCWFCMGXLUBIQD-UHFFFAOYSA-N 50352858 CHEMBL1824136 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950085 136359544 CHEMBL1824136 ZINC34803601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176699 CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26) VGIXLLYAMZATOQ-UHFFFAOYSA-N 50352859 CHEMBL1824137 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56669107 136359545 CHEMBL1824137 ZINC72183224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176700 CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1 FLYFOUIVIYZLRH-FQEVSTJZSA-N 50352853 CHEMBL1824338 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661917 136359539 CHEMBL1824338 ZINC72182869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176701 CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C21H20F2N6O/c1-12(2)29-11-14(10-26-29)21(19(30)28(3)20(24)27-21)13-6-7-17(22)16(9-13)15-5-4-8-25-18(15)23/h4-12H,1-3H3,(H2,24,27) HNEPKJNWZLGKMM-UHFFFAOYSA-N 50352870 CHEMBL1824339 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672297 136359556 CHEMBL1824339 ZINC72183016 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176702 CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28) AMYWYRFRJYJRAM-UHFFFAOYSA-N 50352862 CHEMBL1824140 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658718 136359548 CHEMBL1824140 ZINC72183226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176703 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26) XLKFXPAKZSTNHX-UHFFFAOYSA-N 50352868 CHEMBL1824336 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950086 136359554 CHEMBL1824336 ZINC34803609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176704 CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26) CRGYAUNBGVFARQ-UHFFFAOYSA-N 50352863 CHEMBL1824141 Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950006 136359549 CHEMBL1824141 ZINC34803427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176705 CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F InChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26) WTRPZTMQYKOUOO-UHFFFAOYSA-N 50352869 CHEMBL1824337 Beta-secretase 1 Homo sapiens 1170 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672296 136359555 CHEMBL1824337 ZINC72182226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176706 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24) DNDFMOOQRXKYQL-UHFFFAOYSA-N 50352856 CHEMBL1824134 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 591 3S7L 56682567 136359542 CHEMBL1824134 ZINC72181808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176707 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25) QFKPRVADZPYBNW-UHFFFAOYSA-N 50352857 CHEMBL1824135 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11990755 136359543 CHEMBL1824135 ZINC72181810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176708 CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C18H17N7O/c1-24-10-15(9-22-24)18(16(26)25(2)17(19)23-18)14-5-3-4-12(6-14)13-7-20-11-21-8-13/h3-11H,1-2H3,(H2,19,23) CORGHEXKCNZSJU-UHFFFAOYSA-N 50352855 CHEMBL1824133 Beta-secretase 1 Homo sapiens 4400 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56679262 136359541 CHEMBL1824133 ZINC72181806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176709 CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C21H20F2N6O/c1-12(2)29-11-14(10-26-29)21(19(30)28(3)20(24)27-21)13-6-7-17(22)16(9-13)15-5-4-8-25-18(15)23/h4-12H,1-3H3,(H2,24,27) HNEPKJNWZLGKMM-UHFFFAOYSA-N 50352870 CHEMBL1824339 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672297 136359556 CHEMBL1824339 ZINC72183016 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176710 CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H25N7O/c1-15(2)7-8-29-13-19(12-26-29)22(20(30)28(3)21(23)27-22)18-6-4-5-16(9-18)17-10-24-14-25-11-17/h4-6,9-15H,7-8H2,1-3H3,(H2,23,27) DUYKHVPWTFUMKA-UHFFFAOYSA-N 50352861 CHEMBL1824139 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658717 136359547 CHEMBL1824139 ZINC72179237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176711 CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1 IKJXVRPWMOVIMY-HXUWFJFHSA-N 50352850 CHEMBL1824335 Beta-secretase 1 Homo sapiens 1960 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668818 136359536 CHEMBL1824335 ZINC72182337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176712 CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28) AMYWYRFRJYJRAM-UHFFFAOYSA-N 50352862 CHEMBL1824140 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658718 136359548 CHEMBL1824140 ZINC72183226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176713 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26) XLKFXPAKZSTNHX-UHFFFAOYSA-N 50352868 CHEMBL1824336 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950086 136359554 CHEMBL1824336 ZINC34803609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176714 CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26) CRGYAUNBGVFARQ-UHFFFAOYSA-N 50352863 CHEMBL1824141 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950006 136359549 CHEMBL1824141 ZINC34803427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176715 CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F InChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26) WTRPZTMQYKOUOO-UHFFFAOYSA-N 50352869 CHEMBL1824337 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672296 136359555 CHEMBL1824337 ZINC72182226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176716 CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1 FLYFOUIVIYZLRH-FQEVSTJZSA-N 50352853 CHEMBL1824338 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661917 136359539 CHEMBL1824338 ZINC72182869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176717 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25) QFKPRVADZPYBNW-UHFFFAOYSA-N 50352857 CHEMBL1824135 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11990755 136359543 CHEMBL1824135 ZINC72181810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176718 CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C19H15F4N7O/c1-29-16(31)19(28-17(29)24,13-7-27-30(8-13)9-18(21,22)23)12-2-3-15(20)14(4-12)11-5-25-10-26-6-11/h2-8,10H,9H2,1H3,(H2,24,28) FCWFCMGXLUBIQD-UHFFFAOYSA-N 50352858 CHEMBL1824136 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950085 136359544 CHEMBL1824136 ZINC34803601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176719 CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26) VGIXLLYAMZATOQ-UHFFFAOYSA-N 50352859 CHEMBL1824137 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56669107 136359545 CHEMBL1824137 ZINC72183224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176720 CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H23N7O/c1-14(2)11-28-12-18(10-25-28)21(19(29)27(3)20(22)26-21)17-6-4-5-15(7-17)16-8-23-13-24-9-16/h4-10,12-14H,11H2,1-3H3,(H2,22,26) GJCACXYIYRCVKX-UHFFFAOYSA-N 50352860 CHEMBL1824138 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950005 136359546 CHEMBL1824138 ZINC34803422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176721 CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C18H17N7O/c1-24-10-15(9-22-24)18(16(26)25(2)17(19)23-18)14-5-3-4-12(6-14)13-7-20-11-21-8-13/h3-11H,1-2H3,(H2,19,23) CORGHEXKCNZSJU-UHFFFAOYSA-N 50352855 CHEMBL1824133 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56679262 136359541 CHEMBL1824133 ZINC72181806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176722 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24) DNDFMOOQRXKYQL-UHFFFAOYSA-N 50352856 CHEMBL1824134 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 591 3S7L 56682567 136359542 CHEMBL1824134 ZINC72181808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176723 CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26) SYHWIMVHWVXBDN-UHFFFAOYSA-N 50352849 CHEMBL1824360 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675696 136359535 CHEMBL1824360 ZINC72183355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176727 CN1C(N)=NC(C1=O)(c1csc(C)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H17N5OS/c1-12-6-16(10-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(7-15)14-8-21-11-22-9-14/h3-11H,1-2H3,(H2,20,23) UDYLXYFIJLPZAV-UHFFFAOYSA-N 50352878 CHEMBL1824347 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56682313 136359564 CHEMBL1824347 ZINC72183165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176728 CN1C(N)=NC(C1=O)(c1ccsc1C)c1cccc(c1)-c1cncnc1 InChI=1S/C19H17N5OS/c1-12-16(6-7-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(8-15)14-9-21-11-22-10-14/h3-11H,1-2H3,(H2,20,23) AWSZXXRYNSNVQU-UHFFFAOYSA-N 50352879 CHEMBL1824348 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678999 136359565 CHEMBL1824348 ZINC72183167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176729 CCc1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C20H19N5OS/c1-3-17-8-16(11-27-17)20(18(26)25(2)19(21)24-20)15-6-4-5-13(7-15)14-9-22-12-23-10-14/h4-12H,3H2,1-2H3,(H2,21,24) GAYCZOAOOLHOPO-UHFFFAOYSA-N 50352880 CHEMBL1824349 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668820 136359566 CHEMBL1824349 ZINC72183040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176730 CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H27FN6O/c1-23(2,3)10-12-31-15-18(14-28-31)24(21(32)30(4)22(26)29-24)17-8-5-7-16(13-17)19-9-6-11-27-20(19)25/h5-9,11,13-15H,10,12H2,1-4H3,(H2,26,29) PKUREZXQXDANPA-UHFFFAOYSA-N 50352873 CHEMBL1824342 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658435 136359559 CHEMBL1824342 ZINC72182879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176731 CCC(CC)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C24H27FN6O/c1-4-16(5-2)14-31-15-19(13-28-31)24(22(32)30(3)23(26)29-24)18-9-6-8-17(12-18)20-10-7-11-27-21(20)25/h6-13,15-16H,4-5,14H2,1-3H3,(H2,26,29) YZUUNTCUAMHFQT-UHFFFAOYSA-N 50352874 CHEMBL1824343 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668819 136359560 CHEMBL1824343 ZINC72182745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176732 CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H23FN6O/c1-3-4-11-29-14-17(13-26-29)22(20(30)28(2)21(24)27-22)16-8-5-7-15(12-16)18-9-6-10-25-19(18)23/h5-10,12-14H,3-4,11H2,1-2H3,(H2,24,27) FSNVWNQXKNFHPF-UHFFFAOYSA-N 50352875 CHEMBL1824344 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950004 136359561 CHEMBL1824344 ZINC34803417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176733 CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cccnc1F InChI=1S/C23H23FN6O/c1-29-21(31)23(28-22(29)25,17-13-27-30(14-17)18-8-2-3-9-18)16-7-4-6-15(12-16)19-10-5-11-26-20(19)24/h4-7,10-14,18H,2-3,8-9H2,1H3,(H2,25,28) APLGTNIWHISFNN-UHFFFAOYSA-N 50352876 CHEMBL1824345 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56665390 136359562 CHEMBL1824345 ZINC72183163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176734 CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cncnc1 InChI=1S/C22H23N7O/c1-28-20(30)22(27-21(28)23,18-12-26-29(13-18)19-7-2-3-8-19)17-6-4-5-15(9-17)16-10-24-14-25-11-16/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,23,27) RSBLHFREHLCSDX-UHFFFAOYSA-N 50352864 CHEMBL1824142 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672294 136359550 CHEMBL1824142 ZINC72181010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176735 CN1C(N)=NC(C1=O)(c1cnn(CCC2CCCCC2)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C25H29N7O/c1-31-23(33)25(30-24(31)26,21-9-5-8-19(12-21)20-13-27-17-28-14-20)22-15-29-32(16-22)11-10-18-6-3-2-4-7-18/h5,8-9,12-18H,2-4,6-7,10-11H2,1H3,(H2,26,30) IMPSJODCGOEHNO-UHFFFAOYSA-N 50352865 CHEMBL1824143 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56682312 136359551 CHEMBL1824143 ZINC72180463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176736 CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1 IKJXVRPWMOVIMY-HXUWFJFHSA-N 50352850 CHEMBL1824335 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668818 136359536 CHEMBL1824335 ZINC72182337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176737 CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H23FN6O/c1-14(2)12-29-13-17(11-26-29)22(20(30)28(3)21(24)27-22)16-7-4-6-15(10-16)18-8-5-9-25-19(18)23/h4-11,13-14H,12H2,1-3H3,(H2,24,27) FCODAEYPNNQDQH-UHFFFAOYSA-N 50352871 CHEMBL1824340 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950003 136359557 CHEMBL1824340 ZINC34803413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176738 CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1 IKJXVRPWMOVIMY-FQEVSTJZSA-N 50352852 CHEMBL1824145 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675689 136359538 CHEMBL1824145 ZINC72182338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176739 CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C23H25FN6O/c1-15(2)9-11-30-14-18(13-27-30)23(21(31)29(3)22(25)28-23)17-7-4-6-16(12-17)19-8-5-10-26-20(19)24/h4-8,10,12-15H,9,11H2,1-3H3,(H2,25,28) KBZBWMIJRAOKSO-UHFFFAOYSA-N 50352872 CHEMBL1824341 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678998 136359558 CHEMBL1824341 ZINC72182877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176740 CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1 InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-6-8-26-11-14)13-4-5-16(20)15(9-13)12-3-2-7-22-10-12/h2-11H,1H3,(H2,21,23) SXYPETJOWBBGQK-UHFFFAOYSA-N 50352866 CHEMBL1824356 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56679000 136359552 CHEMBL1824356 ZINC72183329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176741 CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24) JCEVTYZGXQGFEM-UHFFFAOYSA-N 50352867 CHEMBL1824357 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672299 136359553 CHEMBL1824357 ZINC72183186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176742 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1 InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,16-7-9-25-12-16)15-6-2-4-13(10-15)14-5-3-8-21-11-14/h2-12H,1H3,(H2,20,22) AOGBXAFIKRFUPJ-UHFFFAOYSA-N 50352885 CHEMBL1824354 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 532 3S7M 15949919 136359571 CHEMBL1824354 ZINC34803241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176743 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23) VCKGJRZFNMIOEB-UHFFFAOYSA-N 50352886 CHEMBL1824355 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661919 136359572 CHEMBL1824355 ZINC72183327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176744 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23) PDTDVARFGYKUMS-UHFFFAOYSA-N 50352847 CHEMBL1824358 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672300 136359533 CHEMBL1824358 ZINC72177496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176745 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cnccn1 InChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,14-5-8-25-11-14)13-4-2-3-12(9-13)15-10-20-6-7-21-15/h2-11H,1H3,(H2,19,22) NXXHXFSKVSTXAG-UHFFFAOYSA-N 50352848 CHEMBL1824359 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675695 136359534 CHEMBL1824359 ZINC72179416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176746 CN1C(N)=NC(C1=O)(c1cc(C)sc1Cl)c1cccc(c1)-c1cncnc1 InChI=1S/C19H16ClN5OS/c1-11-6-15(16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(7-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24) ZWXIWSLPGZVVNP-UHFFFAOYSA-N 50352883 CHEMBL1824352 Beta-secretase 1 Homo sapiens 2230 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658437 136359569 CHEMBL1824352 ZINC72183505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176747 CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N5O2S/c1-3-17(27)18-8-16(11-29-18)21(19(28)26(2)20(22)25-21)15-6-4-5-13(7-15)14-9-23-12-24-10-14/h4-12H,3H2,1-2H3,(H2,22,25) QKCQMQCRKHZUPK-UHFFFAOYSA-N 50352884 CHEMBL1824353 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56672298 136359570 CHEMBL1824353 ZINC72183325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176748 CCc1cc(c(C)s1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H21N5OS/c1-4-17-9-18(13(2)28-17)21(19(27)26(3)20(22)25-21)16-7-5-6-14(8-16)15-10-23-12-24-11-15/h5-12H,4H2,1-3H3,(H2,22,25) VLFTWHOZHAMTTE-UHFFFAOYSA-N 50352881 CHEMBL1824350 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675694 136359567 CHEMBL1824350 ZINC72183042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176749 CN1C(N)=NC(C1=O)(c1csc(Cl)c1)c1cccc(c1)-c1cncnc1 InChI=1S/C18H14ClN5OS/c1-24-16(25)18(23-17(24)20,14-6-15(19)26-9-14)13-4-2-3-11(5-13)12-7-21-10-22-8-12/h2-10H,1H3,(H2,20,23) ABAOMGTVATUZIR-UHFFFAOYSA-N 50352882 CHEMBL1824351 Beta-secretase 1 Homo sapiens 340 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661918 136359568 CHEMBL1824351 ZINC72183503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176724 CCC(=O)c1cc(cs1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)/t22-/m0/s1 SYHWIMVHWVXBDN-QFIPXVFZSA-N 50352854 CHEMBL1824361 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668821 136359540 CHEMBL1824361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176725 CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)/t22-/m1/s1 SYHWIMVHWVXBDN-JOCHJYFZSA-N 50352851 CHEMBL1824362 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56682314 136359537 CHEMBL1824362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176726 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cncnc1 InChI=1S/C18H15N5OS/c1-23-16(24)18(22-17(23)19,15-5-6-25-10-15)14-4-2-3-12(7-14)13-8-20-11-21-9-13/h2-11H,1H3,(H2,19,22) GCIHPVGAAJVLEF-UHFFFAOYSA-N 50352877 CHEMBL1824346 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2011.07.057 10.7270/Q2WQ045T 21835615 Malamas, MS; Erdei, J; Gunawan, I; Barnes, K; Hui, Y; Johnson, M; Robichaud, A; Zhou, P; Yan, Y; Solvibile, W; Turner, J; Fan, KY; Chopra, R; Bard, J; Pangalos, MN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50352877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50352877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56658436 136359563 CHEMBL1824346 ZINC72177500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175711 C(CCCNc1c2Cc3ccccc3-c2nc2ccccc12)CCCNc1c2Cc3ccccc3-c2nc2ccccc12 InChI=1S/C39H36N4/c1(2-12-22-40-36-30-18-8-10-20-34(30)42-38-28-16-6-4-14-26(28)24-32(36)38)3-13-23-41-37-31-19-9-11-21-35(31)43-39-29-17-7-5-15-27(29)25-33(37)39/h4-11,14-21H,1-3,12-13,22-25H2,(H,40,42)(H,41,43) NQXQNWAFOUTKOY-UHFFFAOYSA-N 50351019 CHEMBL1819180 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.ejmech.2011.07.004 10.7270/Q2NP24TK 21798635 Rizzo, S; Bisi, A; Bartolini, M; Mancini, F; Belluti, F; Gobbi, S; Andrisano, V; Rampa, A Institut f£r Molekulare Physiologie http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54577607 136357705 CHEMBL1819180 ZINC72113363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175715 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) ITZOKHKOFJOBFS-UHFFFAOYSA-N 8963 CHEMBL32823::Homodimeric Tacrine Analog 3b::N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 3b::Tacrine-Based Inhibitor 2f::tacrine homobivalent compound 3a Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.ejmech.2011.07.004 10.7270/Q2NP24TK 21798635 Rizzo, S; Bisi, A; Bartolini, M; Mancini, F; Belluti, F; Gobbi, S; Andrisano, V; Rampa, A Institut f£r Molekulare Physiologie http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AA7 2CKM,5EI5 9549196 46509739 CHEMBL32823 ZINC01893945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175737 Clc1ccc2c(NCCCCCCCNc3c4Cc5ccccc5-c4nc4ccccc34)c3CCCCc3nc2c1 InChI=1S/C36H37ClN4/c37-25-18-19-29-33(23-25)40-31-16-8-6-14-27(31)34(29)38-20-10-2-1-3-11-21-39-35-28-15-7-9-17-32(28)41-36-26-13-5-4-12-24(26)22-30(35)36/h4-5,7,9,12-13,15,17-19,23H,1-3,6,8,10-11,14,16,20-22H2,(H,38,40)(H,39,41) ASEDWXNMPGNYLM-UHFFFAOYSA-N 50351015 CHEMBL1819176 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.ejmech.2011.07.004 10.7270/Q2NP24TK 21798635 Rizzo, S; Bisi, A; Bartolini, M; Mancini, F; Belluti, F; Gobbi, S; Andrisano, V; Rampa, A Institut f£r Molekulare Physiologie http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54577394 136357701 CHEMBL1819176 ZINC72113149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175820 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 InChI=1S/C43H57FN8O8/c1-25(2)33(49-36(54)29(45)24-46-39(57)34-32(44)38(56)51-42(60)50-34)40(58)48-31(23-27-16-8-4-9-17-27)37(55)47-30(22-26-14-6-3-7-15-26)35(53)41(59)52-43(20-12-13-21-43)28-18-10-5-11-19-28/h3,5-7,10-11,14-15,18-19,25,27,29-31,33,35,53H,4,8-9,12-13,16-17,20-24,45H2,1-2H3,(H,46,57)(H,47,55)(H,48,58)(H,49,54)(H,52,59)(H2,50,51,56,60)/t29-,30-,31-,33-,35+/m0/s1 LTSSGZJJBZPCHB-ALHILFDASA-N 50351104 CHEMBL1817746 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675287 136357790 CHEMBL1817746 ZINC95538131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175821 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C40H53FN8O8/c1-22(2)31(47-34(51)27(42)21-43-37(54)32-30(41)36(53)49-40(57)48-32)38(55)46-29(20-25-15-9-5-10-16-25)35(52)45-28(19-24-13-7-4-8-14-24)33(50)39(56)44-23(3)26-17-11-6-12-18-26/h4,6-8,11-14,17-18,22-23,25,27-29,31,33,50H,5,9-10,15-16,19-21,42H2,1-3H3,(H,43,54)(H,44,56)(H,45,52)(H,46,55)(H,47,51)(H2,48,49,53,57)/t23-,27+,28+,29+,31+,33-/m1/s1 YTPPPCLKJALCED-SGEPHUTMSA-N 50351098 CHEMBL1817734 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661551 136357784 CHEMBL1817734 ZINC95538132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175822 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 InChI=1S/C40H53FN8O8/c1-22(2)19-28(45-37(55)30(23(3)4)46-33(51)26(42)21-43-36(54)31-29(41)35(53)48-39(57)47-31)34(52)44-27(20-24-13-7-5-8-14-24)32(50)38(56)49-40(17-11-12-18-40)25-15-9-6-10-16-25/h5-10,13-16,22-23,26-28,30,32,50H,11-12,17-21,42H2,1-4H3,(H,43,54)(H,44,52)(H,45,55)(H,46,51)(H,49,56)(H2,47,48,53,57)/t26-,27-,28-,30-,32+/m0/s1 LASZOZWSYSUVFR-WZJUEYCOSA-N 50351103 CHEMBL1817745 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53379400 136357789 CHEMBL1817745 ZINC95548951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175823 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175824 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C37H49FN8O8/c1-19(2)16-26(32(49)42-25(17-22-12-8-6-9-13-22)30(47)36(53)41-21(5)23-14-10-7-11-15-23)43-35(52)28(20(3)4)44-31(48)24(39)18-40-34(51)29-27(38)33(50)46-37(54)45-29/h6-15,19-21,24-26,28,30,47H,16-18,39H2,1-5H3,(H,40,51)(H,41,53)(H,42,49)(H,43,52)(H,44,48)(H2,45,46,50,54)/t21-,24+,25+,26+,28+,30-/m1/s1 NKNVZXDWHZNMMD-PESMZXGFSA-N 50351097 CHEMBL1817733 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668394 136357783 CHEMBL1817733 ZINC95538225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175825 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 InChI=1S/C44H59FN8O8/c1-26(2)34(50-37(55)30(46)25-47-40(58)35-33(45)39(57)52-43(61)51-35)41(59)49-32(24-28-17-9-4-10-18-28)38(56)48-31(23-27-15-7-3-8-16-27)36(54)42(60)53-44(21-13-6-14-22-44)29-19-11-5-12-20-29/h3,5,7-8,11-12,15-16,19-20,26,28,30-32,34,36,54H,4,6,9-10,13-14,17-18,21-25,46H2,1-2H3,(H,47,58)(H,48,56)(H,49,59)(H,50,55)(H,53,60)(H2,51,52,57,61)/t30-,31-,32-,34-,36+/m0/s1 RVHSDAOQVMREME-JWHZZQKUSA-N 50351106 CHEMBL1817777 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661417 136357792 CHEMBL1817777 ZINC95538168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175826 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175827 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 InChI=1S/C41H55FN8O8/c1-23(2)20-29(46-38(56)31(24(3)4)47-34(52)27(43)22-44-37(55)32-30(42)36(54)49-40(58)48-32)35(53)45-28(21-25-14-8-5-9-15-25)33(51)39(57)50-41(18-12-7-13-19-41)26-16-10-6-11-17-26/h5-6,8-11,14-17,23-24,27-29,31,33,51H,7,12-13,18-22,43H2,1-4H3,(H,44,55)(H,45,53)(H,46,56)(H,47,52)(H,50,57)(H2,48,49,54,58)/t27-,28-,29-,31-,33+/m0/s1 FGRGBNKEYKXTEC-ABRMRKKTSA-N 50351105 CHEMBL1817776 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668288 136357791 CHEMBL1817776 ZINC95538343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175828 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 InChI=1S/C41H55FN8O8/c1-23(2)31(47-34(52)27(43)22-44-37(55)32-30(42)36(54)49-40(58)48-32)38(56)46-29(21-25-16-10-6-11-17-25)35(53)45-28(20-24-14-8-5-9-15-24)33(51)39(57)50-41(3,4)26-18-12-7-13-19-26/h5,7-9,12-15,18-19,23,25,27-29,31,33,51H,6,10-11,16-17,20-22,43H2,1-4H3,(H,44,55)(H,45,53)(H,46,56)(H,47,52)(H,50,57)(H2,48,49,54,58)/t27-,28-,29-,31-,33+/m0/s1 RUMRSFFWBQFKDM-ABRMRKKTSA-N 50351102 CHEMBL1817742 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56668395 136357788 CHEMBL1817742 ZINC95538195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175829 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 InChI=1S/C38H51FN8O8/c1-20(2)17-26(43-35(53)28(21(3)4)44-31(49)24(40)19-41-34(52)29-27(39)33(51)46-37(55)45-29)32(50)42-25(18-22-13-9-7-10-14-22)30(48)36(54)47-38(5,6)23-15-11-8-12-16-23/h7-16,20-21,24-26,28,30,48H,17-19,40H2,1-6H3,(H,41,52)(H,42,50)(H,43,53)(H,44,49)(H,47,54)(H2,45,46,51,55)/t24-,25-,26-,28-,30+/m0/s1 WIJNMWSAVOCDLS-ZYNCTLHBSA-N 50351101 CHEMBL1817741 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56681945 136357787 CHEMBL1817741 ZINC95538221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175830 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 InChI=1S/C40H53FN8O8/c1-22(2)31(47-34(51)27(42)21-43-37(54)32-30(41)36(53)49-40(57)48-32)38(55)46-29(20-25-15-9-5-10-16-25)35(52)45-28(19-24-13-7-4-8-14-24)33(50)39(56)44-23(3)26-17-11-6-12-18-26/h4,6-8,11-14,17-18,22-23,25,27-29,31,33,50H,5,9-10,15-16,19-21,42H2,1-3H3,(H,43,54)(H,44,56)(H,45,52)(H,46,55)(H,47,51)(H2,48,49,53,57)/t23-,27-,28-,29-,31-,33+/m0/s1 YTPPPCLKJALCED-MTWZPNGPSA-N 50351100 CHEMBL1817738 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678617 136357786 CHEMBL1817738 ZINC95538194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175831 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 InChI=1S/C37H49FN8O8/c1-19(2)16-26(32(49)42-25(17-22-12-8-6-9-13-22)30(47)36(53)41-21(5)23-14-10-7-11-15-23)43-35(52)28(20(3)4)44-31(48)24(39)18-40-34(51)29-27(38)33(50)46-37(54)45-29/h6-15,19-21,24-26,28,30,47H,16-18,39H2,1-5H3,(H,40,51)(H,41,53)(H,42,49)(H,43,52)(H,44,48)(H2,45,46,50,54)/t21-,24-,25-,26-,28-,30+/m0/s1 NKNVZXDWHZNMMD-YPXROBOASA-N 50351099 CHEMBL1817737 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmc.2011.07.002 10.7270/Q20Z73NP 21803585 Tagad, HD; Hamada, Y; Nguyen, JT; Hidaka, K; Hamada, T; Sohma, Y; Kimura, T; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678616 136357785 CHEMBL1817737 ZINC95538218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175840 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1 AHRZKIYTKFDQGC-GOSISDBHSA-N 50351929 CHEMBL1821820 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465916 136358615 CHEMBL1821820 ZINC72177882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175841 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C(C)=O)C(=O)NCCC(C)(C)C InChI=1S/C27H33N3O2/c1-17(26(32)29-13-12-27(3,4)5)14-21-16-20-15-19(10-11-24(20)30-25(21)28)23-9-7-6-8-22(23)18(2)31/h6-11,15-17H,12-14H2,1-5H3,(H2,28,30)(H,29,32) SZARSNWHVAWQRF-UHFFFAOYSA-N 50351940 CHEMBL1821830 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53466062 136358626 CHEMBL1821830 ZINC72179803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175842 CC(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C(=O)NCCC(C)(C)C InChI=1S/C25H29N5O/c1-16(24(31)29-11-9-25(2,3)4)12-20-14-19-13-17(7-8-21(19)30-23(20)27)22-18(15-26)6-5-10-28-22/h5-8,10,13-14,16H,9,11-12H2,1-4H3,(H2,27,30)(H,29,31) HYWGNSXXNDFBQD-UHFFFAOYSA-N 50351939 CHEMBL1821829 Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53466061 136358625 CHEMBL1821829 ZINC72178665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175851 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cnccn1 InChI=1S/C25H25N5O/c1-16-5-3-4-6-22(16)18-7-8-23-19(12-18)13-20(24(26)30-23)11-17(2)25(31)29-15-21-14-27-9-10-28-21/h3-10,12-14,17H,11,15H2,1-2H3,(H2,26,30)(H,29,31)/t17-/m1/s1 YENQOHPBORWMLX-QGZVFWFLSA-N 50351933 CHEMBL1821824 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465989 136358619 CHEMBL1821824 ZINC72179081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175852 COc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1 InChI=1S/C25H32N4O2/c1-16(24(30)28-12-10-25(2,3)4)13-19-15-18-14-17(8-9-20(18)29-23(19)26)22-21(31-5)7-6-11-27-22/h6-9,11,14-16H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30) XRTJBGHFZMXONU-UHFFFAOYSA-N 50351938 CHEMBL1821828 Beta-secretase 1 Homo sapiens 97 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465993 136358624 CHEMBL1821828 ZINC72178663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175853 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cncs1 InChI=1S/C24H24N4OS/c1-15-5-3-4-6-21(15)17-7-8-22-18(10-17)11-19(23(25)28-22)9-16(2)24(29)27-13-20-12-26-14-30-20/h3-8,10-12,14,16H,9,13H2,1-2H3,(H2,25,28)(H,27,29) KSWWBLYGIZHTMF-UHFFFAOYSA-N 50351932 CHEMBL1821823 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53237781 136358618 CHEMBL1821823 ZINC72142902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175856 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1Cl)C(=O)NCCC(C)(C)C InChI=1S/C24H29ClN4O/c1-15(23(30)28-11-9-24(2,3)4)12-18-14-17-13-16(7-8-20(17)29-22(18)26)21-19(25)6-5-10-27-21/h5-8,10,13-15H,9,11-12H2,1-4H3,(H2,26,29)(H,28,30)/t15-/m1/s1 KJTIMMBPKQWGQS-OAHLLOKOSA-N 50351937 CHEMBL1821827 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465992 136358623 CHEMBL1821827 ZINC68246411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175866 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cccnc1 InChI=1S/C26H26N4O/c1-17-6-3-4-8-23(17)20-9-10-24-21(13-20)14-22(25(27)30-24)12-18(2)26(31)29-16-19-7-5-11-28-15-19/h3-11,13-15,18H,12,16H2,1-2H3,(H2,27,30)(H,29,31) NPNWFUIRKKRIEZ-UHFFFAOYSA-N 50351931 CHEMBL1821822 Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465918 136358617 CHEMBL1821822 ZINC72179223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175872 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1 ZVOWIRUWKAUSAB-QGZVFWFLSA-N 50351936 CHEMBL1821826 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68M 5I3V 53465991 136358622 CHEMBL1821826 ZINC72179707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175875 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1 InChI=1S/C27H33N3O2/c1-17-7-5-6-8-23(17)19-9-10-24-20(14-19)15-21(25(28)30-24)13-18(2)26(31)29-22-11-12-32-27(3,4)16-22/h5-10,14-15,18,22H,11-13,16H2,1-4H3,(H2,28,30)(H,29,31)/t18-,22-/m1/s1 QMSHBBGXSXAGOO-XMSQKQJNSA-N 50351935 CHEMBL1821728 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3RS 3RSV 53346491 136358621 CHEMBL1821728 ZINC72178837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175879 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1ccccc1 InChI=1S/C27H27N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h3-13,15-16,19H,14,17H2,1-2H3,(H2,28,30)(H,29,31)/t19-/m1/s1 USPPVRYTYZVYSL-LJQANCHMSA-N 50351930 CHEMBL1821821 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465917 136358616 CHEMBL1821821 ZINC72179221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175885 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCOCC1 InChI=1S/C26H31N3O2/c1-17-5-3-4-6-23(17)20-7-8-24-21(14-20)15-22(25(27)29-24)13-18(2)26(30)28-16-19-9-11-31-12-10-19/h3-8,14-15,18-19H,9-13,16H2,1-2H3,(H2,27,29)(H,28,30)/t18-/m1/s1 ZZLASUXQDJCLCY-GOSISDBHSA-N 50351934 CHEMBL1821825 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465990 136358620 CHEMBL1821825 ZINC72177951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175886 Nc1ccc2cc(ccc2n1)-c1ccccc1Cl InChI=1S/C15H11ClN2/c16-13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(17)18-14/h1-9H,(H2,17,18) CLWNPHZHMCTISO-UHFFFAOYSA-N 50351941 CHEMBL1821804 Beta-secretase 1 Homo sapiens 10800 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465788 136358627 CHEMBL1821804 ZINC72142341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175888 Nc1ccc2cc(ccc2n1)-c1cccc(Cl)c1 InChI=1S/C15H11ClN2/c16-13-3-1-2-10(9-13)11-4-6-14-12(8-11)5-7-15(17)18-14/h1-9H,(H2,17,18) NGUCVVFVOGTYPE-UHFFFAOYSA-N 50351942 CHEMBL1821805 Beta-secretase 1 Homo sapiens 7200 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465789 136358628 CHEMBL1821805 ZINC72177693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175892 Nc1ccc2cc(ccc2n1)-c1ccccc1 InChI=1S/C15H12N2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h1-10H,(H2,16,17) JMQQPOWQXSLUPD-UHFFFAOYSA-N 50351913 CHEMBL1821802 Beta-secretase 1 Homo sapiens 22600 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465786 136358599 CHEMBL1821802 ZINC70494235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175896 Cc1ccccc1-c1ccc2nc(N)ccc2c1 InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) CGNIKISUVFSKGJ-UHFFFAOYSA-N 50351914 CHEMBL1821803 Beta-secretase 1 Homo sapiens 10600 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465787 136358600 CHEMBL1821803 ZINC72178571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175898 Nc1ccc2c(Br)cccc2n1 InChI=1S/C9H7BrN2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H,(H2,11,12) KBQIVWNPOZQTTE-UHFFFAOYSA-N 50351911 CHEMBL1821800 Beta-secretase 1 Homo sapiens 209000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 22674193 136358597 CHEMBL1821800 ZINC26474716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175901 Nc1ccc2cc(ccc2n1)-c1ccsc1 InChI=1S/C13H10N2S/c14-13-4-2-10-7-9(1-3-12(10)15-13)11-5-6-16-8-11/h1-8H,(H2,14,15) SKHMHSCEONTQTF-UHFFFAOYSA-N 50351912 CHEMBL1821801 Beta-secretase 1 Homo sapiens 38800 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RSV 3RSX 53346492 136358598 CHEMBL1821801 ZINC72179642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175904 Nc1ccc2cccc(Br)c2n1 InChI=1S/C9H7BrN2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H,(H2,11,12) JCZCFNGKDJIKQI-UHFFFAOYSA-N 50351909 CHEMBL1821798 Beta-secretase 1 Homo sapiens 540000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 33746207 136358595 CHEMBL1821798 ZINC26474701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175909 Nc1ccc2ccc(Br)cc2n1 InChI=1S/C9H7BrN2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H,(H2,11,12) VKPJHDQCHZUELB-UHFFFAOYSA-N 50351910 CHEMBL1821799 Beta-secretase 1 Homo sapiens 266000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45489778 136358596 CHEMBL1821799 ZINC40435290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175911 Nc1ccc2cc(Br)ccc2n1 InChI=1S/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) GSKICCPQEZRQEC-UHFFFAOYSA-N 50154591 6-Bromo-quinolin-2-ylamine::CHEMBL189197 Beta-secretase 1 Homo sapiens 266000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50154591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50154591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11183666 104042255 CHEMBL189197 ZINC13584273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175913 Nc1ccc2ccccc2n1 InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) GCMNJUJAKQGROZ-UHFFFAOYSA-N 14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 900000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2AQ 7WPM,7ORU,2OHL,5G65 11379 46514664 CHEMBL61236 ZINC19074717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175922 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 InChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31)/t19-/m1/s1 MQOILMOKFLJWRN-LJQANCHMSA-N 50351924 CHEMBL1821815 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465850 136358610 CHEMBL1821815 ZINC72177258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175945 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 InChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31) MQOILMOKFLJWRN-UHFFFAOYSA-N 50351923 CHEMBL1821814 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53237109 136358609 CHEMBL1821814 ZINC72179166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175961 Nc1ccc2cc(ccc2n1)C1CCCCC1 InChI=1S/C15H18N2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17) BHVZMOQDUOPYBI-UHFFFAOYSA-N 50351916 CHEMBL1821807 Beta-secretase 1 Homo sapiens 296000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465791 136358602 CHEMBL1821807 ZINC72142904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175974 CC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1 InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23) IFUYBWIZKMAADM-UHFFFAOYSA-N 50351917 CHEMBL1821808 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RTH 3RTH 53346493 136358603 CHEMBL1821808 ZINC72178387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175975 Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1 InChI=1S/C26H31N3O/c1-18-7-5-6-10-23(18)20-11-13-24-22(15-20)16-21(26(27)29-24)12-14-25(30)28-17-19-8-3-2-4-9-19/h5-7,10-11,13,15-16,19H,2-4,8-9,12,14,17H2,1H3,(H2,27,29)(H,28,30) WHCBVAPBSFXPHD-UHFFFAOYSA-N 50351921 CHEMBL1821812 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465849 136358607 CHEMBL1821812 ZINC72178037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50175989 Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1 InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29) JBOWUKRDBGMOJZ-UHFFFAOYSA-N 50351920 CHEMBL1821811 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RTN 3RTN 53236890 136358606 CHEMBL1821811 ZINC72177291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176000 Nc1ccc2cc(ccc2n1)-c1ccc(Cl)cc1 InChI=1S/C15H11ClN2/c16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(17)18-14/h1-9H,(H2,17,18) CAWHKPJUIVRGRJ-UHFFFAOYSA-N 50351915 CHEMBL1821806 Beta-secretase 1 Homo sapiens 2000000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465790 136358601 CHEMBL1821806 ZINC72177288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176003 CN(C1CCCCC1)C(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C InChI=1S/C26H31N3O/c1-18-8-6-7-11-23(18)19-12-14-24-21(16-19)17-20(26(27)28-24)13-15-25(30)29(2)22-9-4-3-5-10-22/h6-8,11-12,14,16-17,22H,3-5,9-10,13,15H2,1-2H3,(H2,27,28) GIIJYEDQRPSYMU-UHFFFAOYSA-N 50351919 CHEMBL1821810 Beta-secretase 1 Homo sapiens 5200 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465848 136358605 CHEMBL1821810 ZINC72178147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176010 Nc1nc2ccccc2cc1CCC(=O)NCC1CCCCC1 InChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23) YOUIXYWUUXULRM-UHFFFAOYSA-N 50351922 CHEMBL1821813 Beta-secretase 1 Homo sapiens 14200 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3RU 3RU1 53346495 136358608 CHEMBL1821813 ZINC72142734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176017 Nc1ccc2cc(Br)ccc2n1 InChI=1S/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) GSKICCPQEZRQEC-UHFFFAOYSA-N 50154591 6-Bromo-quinolin-2-ylamine::CHEMBL189197 Beta-secretase 1 Homo sapiens 338000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50154591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50154591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11183666 104042255 CHEMBL189197 ZINC13584273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176030 CN(C1CCCCC1)C(=O)CCc1cc2ccccc2nc1N InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21) GRFOHUBBUMAJMM-UHFFFAOYSA-N 50351918 CHEMBL1821809 Beta-secretase 1 Homo sapiens 38400 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RTM 3RTM 53346494 136358604 CHEMBL1821809 ZINC72177385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176035 CN(C1CCCCC1)C(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C InChI=1S/C26H31N3O/c1-18-8-6-7-11-23(18)19-12-14-24-21(16-19)17-20(26(27)28-24)13-15-25(30)29(2)22-9-4-3-5-10-22/h6-8,11-12,14,16-17,22H,3-5,9-10,13,15H2,1-2H3,(H2,27,28) GIIJYEDQRPSYMU-UHFFFAOYSA-N 50351919 CHEMBL1821810 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465848 136358605 CHEMBL1821810 ZINC72178147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176037 Nc1ccc2ccccc2n1 InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) GCMNJUJAKQGROZ-UHFFFAOYSA-N 14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 800000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2AQ 7WPM,7ORU,2OHL,5G65 11379 46514664 CHEMBL61236 ZINC19074717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176042 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCOCC1 InChI=1S/C26H31N3O2/c1-17-5-3-4-6-23(17)20-7-8-24-21(14-20)15-22(25(27)29-24)13-18(2)26(30)28-16-19-9-11-31-12-10-19/h3-8,14-15,18-19H,9-13,16H2,1-2H3,(H2,27,29)(H,28,30)/t18-/m1/s1 ZZLASUXQDJCLCY-GOSISDBHSA-N 50351934 CHEMBL1821825 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465990 136358620 CHEMBL1821825 ZINC72177951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176064 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1Cl)C(=O)NCCC(C)(C)C InChI=1S/C24H29ClN4O/c1-15(23(30)28-11-9-24(2,3)4)12-18-14-17-13-16(7-8-20(17)29-22(18)26)21-19(25)6-5-10-27-21/h5-8,10,13-15H,9,11-12H2,1-4H3,(H2,26,29)(H,28,30)/t15-/m1/s1 KJTIMMBPKQWGQS-OAHLLOKOSA-N 50351937 CHEMBL1821827 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465992 136358623 CHEMBL1821827 ZINC68246411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176065 Nc1ccc2ccc(Br)cc2n1 InChI=1S/C9H7BrN2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H,(H2,11,12) VKPJHDQCHZUELB-UHFFFAOYSA-N 50351910 CHEMBL1821799 Beta-secretase 1 Homo sapiens 460000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45489778 136358596 CHEMBL1821799 ZINC40435290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176066 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cnccn1 InChI=1S/C25H25N5O/c1-16-5-3-4-6-22(16)18-7-8-23-19(12-18)13-20(24(26)30-23)11-17(2)25(31)29-15-21-14-27-9-10-28-21/h3-10,12-14,17H,11,15H2,1-2H3,(H2,26,30)(H,29,31)/t17-/m1/s1 YENQOHPBORWMLX-QGZVFWFLSA-N 50351933 CHEMBL1821824 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465989 136358619 CHEMBL1821824 ZINC72179081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176067 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1 ZVOWIRUWKAUSAB-QGZVFWFLSA-N 50351936 CHEMBL1821826 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68M 5I3V 53465991 136358622 CHEMBL1821826 ZINC72179707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176068 Nc1ccc2c(Br)cccc2n1 InChI=1S/C9H7BrN2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H,(H2,11,12) KBQIVWNPOZQTTE-UHFFFAOYSA-N 50351911 CHEMBL1821800 Beta-secretase 1 Homo sapiens 400000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 22674193 136358597 CHEMBL1821800 ZINC26474716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176069 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cncs1 InChI=1S/C24H24N4OS/c1-15-5-3-4-6-21(15)17-7-8-22-18(10-17)11-19(23(25)28-22)9-16(2)24(29)27-13-20-12-26-14-30-20/h3-8,10-12,14,16H,9,13H2,1-2H3,(H2,25,28)(H,27,29) KSWWBLYGIZHTMF-UHFFFAOYSA-N 50351932 CHEMBL1821823 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53237781 136358618 CHEMBL1821823 ZINC72142902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176070 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1 InChI=1S/C27H33N3O2/c1-17-7-5-6-8-23(17)19-9-10-24-20(14-19)15-21(25(28)30-24)13-18(2)26(31)29-22-11-12-32-27(3,4)16-22/h5-10,14-15,18,22H,11-13,16H2,1-4H3,(H2,28,30)(H,29,31)/t18-,22-/m1/s1 QMSHBBGXSXAGOO-XMSQKQJNSA-N 50351935 CHEMBL1821728 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3RS 3RSV 53346491 136358621 CHEMBL1821728 ZINC72178837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176071 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cccnc1 InChI=1S/C26H26N4O/c1-17-6-3-4-8-23(17)20-9-10-24-21(13-20)14-22(25(27)30-24)12-18(2)26(31)29-16-19-7-5-11-28-15-19/h3-11,13-15,18H,12,16H2,1-2H3,(H2,27,30)(H,29,31) NPNWFUIRKKRIEZ-UHFFFAOYSA-N 50351931 CHEMBL1821822 Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465918 136358617 CHEMBL1821822 ZINC72179223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176072 Nc1ccc2cccc(Br)c2n1 InChI=1S/C9H7BrN2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H,(H2,11,12) JCZCFNGKDJIKQI-UHFFFAOYSA-N 50351909 CHEMBL1821798 Beta-secretase 1 Homo sapiens 562000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 33746207 136358595 CHEMBL1821798 ZINC26474701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176073 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1ccccc1 InChI=1S/C27H27N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h3-13,15-16,19H,14,17H2,1-2H3,(H2,28,30)(H,29,31)/t19-/m1/s1 USPPVRYTYZVYSL-LJQANCHMSA-N 50351930 CHEMBL1821821 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465917 136358616 CHEMBL1821821 ZINC72179221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176074 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1 AHRZKIYTKFDQGC-GOSISDBHSA-N 50351929 CHEMBL1821820 Beta-secretase 1 Homo sapiens 0.650000 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465916 136358615 CHEMBL1821820 ZINC72177882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176075 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C(C)=O)C(=O)NCCC(C)(C)C InChI=1S/C27H33N3O2/c1-17(26(32)29-13-12-27(3,4)5)14-21-16-20-15-19(10-11-24(20)30-25(21)28)23-9-7-6-8-22(23)18(2)31/h6-11,15-17H,12-14H2,1-5H3,(H2,28,30)(H,29,32) SZARSNWHVAWQRF-UHFFFAOYSA-N 50351940 CHEMBL1821830 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53466062 136358626 CHEMBL1821830 ZINC72179803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176076 CCCC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33) KSRGIPYZQZCBMH-UHFFFAOYSA-N 50351928 CHEMBL1821819 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RVI 3RVI 53465915 136358614 CHEMBL1821819 ZINC72177973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176077 CC(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C(=O)NCCC(C)(C)C InChI=1S/C25H29N5O/c1-16(24(31)29-11-9-25(2,3)4)12-20-14-19-13-17(7-8-21(19)30-23(20)27)22-18(15-26)6-5-10-28-22/h5-8,10,13-14,16H,9,11-12H2,1-4H3,(H2,27,30)(H,29,31) HYWGNSXXNDFBQD-UHFFFAOYSA-N 50351939 CHEMBL1821829 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53466061 136358625 CHEMBL1821829 ZINC72178665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176078 CC(C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 InChI=1S/C29H37N3O/c1-19(2)26(29(33)31-18-21-10-5-4-6-11-21)17-24-16-23-15-22(13-14-27(23)32-28(24)30)25-12-8-7-9-20(25)3/h7-9,12-16,19,21,26H,4-6,10-11,17-18H2,1-3H3,(H2,30,32)(H,31,33) MUOYKKPOPPKXNF-UHFFFAOYSA-N 50351927 CHEMBL1821818 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465914 136358613 CHEMBL1821818 ZINC72177453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176079 COc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1 InChI=1S/C25H32N4O2/c1-16(24(30)28-12-10-25(2,3)4)13-19-15-18-14-17(8-9-20(18)29-23(19)26)22-21(31-5)7-6-11-27-22/h6-9,11,14-16H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30) XRTJBGHFZMXONU-UHFFFAOYSA-N 50351938 CHEMBL1821828 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465993 136358624 CHEMBL1821828 ZINC72178663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176080 CCC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 InChI=1S/C28H35N3O/c1-3-21(28(32)30-18-20-10-5-4-6-11-20)15-24-17-23-16-22(13-14-26(23)31-27(24)29)25-12-8-7-9-19(25)2/h7-9,12-14,16-17,20-21H,3-6,10-11,15,18H2,1-2H3,(H2,29,31)(H,30,32) SHGMHNFVZNZZBT-UHFFFAOYSA-N 50351926 CHEMBL1821817 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465913 136358612 CHEMBL1821817 ZINC72177492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50176081 C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 InChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31)/t19-/m0/s1 MQOILMOKFLJWRN-IBGZPJMESA-N 50351925 CHEMBL1821816 Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1021/jm200544q 10.7270/Q23J3DBN 21707077 Cheng, Y; Judd, TC; Bartberger, MD; Brown, J; Chen, K; Fremeau, RT; Hickman, D; Hitchcock, SA; Jordan, B; Li, V; Lopez, P; Louie, SW; Luo, Y; Michelsen, K; Nixey, T; Powers, TS; Rattan, C; Sickmier, EA; St Jean, DJ; Wahl, RC; Wen, PH; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465851 136358611 CHEMBL1821816 ZINC72179166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198828 NC1=Nc2ccc(Oc3ccccc3)cc2CN1CCC(=O)NC1C2CC3CC(C2)CC1C3 InChI=1S/C27H32N4O2/c28-27-29-24-7-6-23(33-22-4-2-1-3-5-22)15-21(24)16-31(27)9-8-25(32)30-26-19-11-17-10-18(13-19)14-20(26)12-17/h1-7,15,17-20,26H,8-14,16H2,(H2,28,29)(H,30,32) ZHZIZFNYUMYNFD-UHFFFAOYSA-N 50359378 CHEMBL1929417 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmc.2011.09.061 10.7270/Q24F1R52 22019465 Huang, W; Tang, L; Shi, Y; Huang, S; Xu, L; Sheng, R; Wu, P; Li, J; Zhou, N; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390627 136963402 CHEMBL1929417 ZINC73197228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203196 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C40H63N7O12S/c1-21(2)18-29(46-38(56)28(16-17-60-8)45-39(57)34(22(3)4)43-25(7)48)31(49)20-32(50)41-23(5)35(53)42-24(6)36(54)44-27(14-15-33(51)52)37(55)47-30(40(58)59)19-26-12-10-9-11-13-26/h9-13,21-24,27-31,34,49H,14-20H2,1-8H3,(H,41,50)(H,42,53)(H,43,48)(H,44,54)(H,45,57)(H,46,56)(H,47,55)(H,51,52)(H,58,59)/t23-,24-,27-,28-,29?,30-,31?,34-/m0/s1 PBJARZNGNUUMIK-XTSZIGBQSA-N 50108557 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Sta-Ala-Ala-Glu-Phe-COOH)::CHEMBL90615 Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322114 104003775 CHEMBL90615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203197 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H67N7O12S/c1-22(2)19-30(47-39(57)29(17-18-62-9)46-41(59)35(23(3)4)44-26(8)50)32(51)21-33(52)49-36(24(5)6)40(58)43-25(7)37(55)45-28(15-16-34(53)54)38(56)48-31(42(60)61)20-27-13-11-10-12-14-27/h10-14,22-25,28-32,35-36,51H,15-21H2,1-9H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,49,52)(H,53,54)(H,60,61)/t25-,28-,29-,30?,31-,32?,35-,36-/m0/s1 IUBJRDXEGAYCQB-ZLXUVULKSA-N 50108549 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(N-acetyl-Val-Met-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL265041 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322189 104003767 CHEMBL265041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203198 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H66N6O11S/c1-22(2)19-31(46-39(55)30(17-18-59-9)45-40(56)35(24(5)6)43-26(8)48)33(49)21-28(23(3)4)37(53)42-25(7)36(52)44-29(15-16-34(50)51)38(54)47-32(41(57)58)20-27-13-11-10-12-14-27/h10-14,22-25,28-33,35,49H,15-21H2,1-9H3,(H,42,53)(H,43,48)(H,44,52)(H,45,56)(H,46,55)(H,47,54)(H,50,51)(H,57,58)/t25-,28-,29-,30-,31-,32-,33?,35-/m0/s1 MTWXTVPPJSYYJK-LESYJUMMSA-N 50108544 4-(2-{5-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-4-hydroxy-2-isopropyl-7-methyl-octanoylamino}-propionylamino)-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Hydroxyethylene-Ala-Glu-Phe-COOH)::CHEMBL90043 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322208 104003762 CHEMBL90043 ZINC95545447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203199 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C90H142N26O34/c1-10-41(5)69(115-82(142)57(35-61(93)121)110-84(144)67(94)44(8)118)86(146)104-48(20-15-16-30-91)75(135)116-71(45(9)119)88(148)105-50(23-27-63(124)125)73(133)102-52(25-29-65(128)129)77(137)114-70(42(6)11-2)87(147)112-59(38-117)83(143)103-51(24-28-64(126)127)76(136)113-68(40(3)4)85(145)111-56(34-60(92)120)81(141)108-55(33-47-37-97-39-99-47)80(140)109-58(36-66(130)131)78(138)100-43(7)72(132)101-49(22-26-62(122)123)74(134)107-54(32-46-18-13-12-14-19-46)79(139)106-53(89(149)150)21-17-31-98-90(95)96/h12-14,18-19,37,39-45,48-59,67-71,117-119H,10-11,15-17,20-36,38,91,94H2,1-9H3,(H2,92,120)(H2,93,121)(H,97,99)(H,100,138)(H,101,132)(H,102,133)(H,103,143)(H,104,146)(H,105,148)(H,106,139)(H,107,134)(H,108,141)(H,109,140)(H,110,144)(H,111,145)(H,112,147)(H,113,136)(H,114,137)(H,115,142)(H,116,135)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,149,150)(H4,95,96,98)/t41-,42-,43-,44+,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,67-,68-,69-,70-,71-/m0/s1 HSGORUIVNXTGPR-FHSSQAERSA-N 50108527 CHEMBL426153::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-His-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931844 104003745 CHEMBL426153 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203200 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C90H146N24O34/c1-12-42(7)69(113-82(140)57(37-61(93)119)108-84(142)67(94)45(10)116)86(144)102-48(22-17-18-32-91)75(133)114-71(46(11)117)88(146)103-50(25-29-63(122)123)73(131)100-52(27-31-65(126)127)77(135)112-70(43(8)13-2)87(145)110-59(39-115)83(141)101-51(26-30-64(124)125)76(134)111-68(41(5)6)85(143)109-56(36-60(92)118)81(139)105-54(34-40(3)4)79(137)107-58(38-66(128)129)78(136)98-44(9)72(130)99-49(24-28-62(120)121)74(132)106-55(35-47-20-15-14-16-21-47)80(138)104-53(89(147)148)23-19-33-97-90(95)96/h14-16,20-21,40-46,48-59,67-71,115-117H,12-13,17-19,22-39,91,94H2,1-11H3,(H2,92,118)(H2,93,119)(H,98,136)(H,99,130)(H,100,131)(H,101,141)(H,102,144)(H,103,146)(H,104,138)(H,105,139)(H,106,132)(H,107,137)(H,108,142)(H,109,143)(H,110,145)(H,111,134)(H,112,135)(H,113,140)(H,114,133)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,147,148)(H4,95,96,97)/t42-,43-,44-,45+,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,67-,68-,69-,70-,71-/m0/s1 LTBVNUGPGNNKSJ-AYXHQXFASA-N 50108529 CHEMBL437425::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931845 104003747 CHEMBL437425 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203201 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C45H71N7O12S/c1-25(2)38(47-28(6)53)44(62)49-32(20-21-65-7)42(60)50-33(22-29-14-10-8-11-15-29)35(54)24-36(55)52-39(26(3)4)43(61)46-27(5)40(58)48-31(18-19-37(56)57)41(59)51-34(45(63)64)23-30-16-12-9-13-17-30/h9,12-13,16-17,25-27,29,31-35,38-39,54H,8,10-11,14-15,18-24H2,1-7H3,(H,46,61)(H,47,53)(H,48,58)(H,49,62)(H,50,60)(H,51,59)(H,52,55)(H,56,57)(H,63,64)/t27-,31-,32-,33-,34-,35?,38-,39-/m0/s1 XLWOXYSITVACEO-SKBLUVQWSA-N 50108542 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-ACHPA-Ala-Glu-Phe-COOH)::CHEMBL89118 Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322127 104003760 CHEMBL89118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203202 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C33H58N6O11S/c1-16(2)14-23(38-30(46)21(12-13-51-9)36-32(48)27(17(3)4)35-20(8)40)24(41)15-25(42)39-28(18(5)6)31(47)34-19(7)29(45)37-22(33(49)50)10-11-26(43)44/h16-19,21-24,27-28,41H,10-15H2,1-9H3,(H,34,47)(H,35,40)(H,36,48)(H,37,45)(H,38,46)(H,39,42)(H,43,44)(H,49,50)/t19-,21-,22-,23?,24?,27-,28-/m0/s1 IHIVHKGVTWSIFN-OOFRUJBGSA-N 50108548 2-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-pentanedioic acid(Ac-Val-Met-Sta-Val-Ala-Glu-COOH)::CHEMBL327386 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44321972 104003766 CHEMBL327386 ZINC26577974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203203 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O InChI=1S/C25H46N4O7S/c1-13(2)11-18(19(31)12-20(32)29-22(15(5)6)25(35)36)28-23(33)17(9-10-37-8)27-24(34)21(14(3)4)26-16(7)30/h13-15,17-19,21-22,31H,9-12H2,1-8H3,(H,26,30)(H,27,34)(H,28,33)(H,29,32)(H,35,36)/t17-,18?,19?,21-,22-/m0/s1 ZNUTWYPCQLLNMQ-LYRWKLJTSA-N 50108552 2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyric acid(Ac-Val-Met-Sta-Val-COOH)::CHEMBL89438 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322158 104003770 CHEMBL89438 ZINC26578369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203204 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C45H65N7O12S/c1-25(2)38(47-28(6)53)44(62)49-32(20-21-65-7)42(60)50-33(22-29-14-10-8-11-15-29)35(54)24-36(55)52-39(26(3)4)43(61)46-27(5)40(58)48-31(18-19-37(56)57)41(59)51-34(45(63)64)23-30-16-12-9-13-17-30/h8-17,25-27,31-35,38-39,54H,18-24H2,1-7H3,(H,46,61)(H,47,53)(H,48,58)(H,49,62)(H,50,60)(H,51,59)(H,52,55)(H,56,57)(H,63,64)/t27-,31-,32-,33-,34-,35?,38-,39-/m0/s1 FVNJQIUNJUDCNE-SKBLUVQWSA-N 50108520 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-AHPPA-Ala-Glu-Phe-COOH)::CHEMBL89530 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322157 104003738 CHEMBL89530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203205 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C86H138N24O34/c1-10-39(5)66(109-78(136)53(34-57(89)115)104-80(138)64(90)42(8)112)82(140)100-45(20-15-16-30-87)73(131)110-68(43(9)113)84(142)101-47(23-27-60(119)120)71(129)98-49(25-29-62(123)124)75(133)108-67(40(6)11-2)83(141)106-55(37-111)79(137)99-48(24-28-61(121)122)74(132)107-65(38(3)4)81(139)105-52(33-56(88)114)70(128)94-36-58(116)96-54(35-63(125)126)76(134)95-41(7)69(127)97-46(22-26-59(117)118)72(130)103-51(32-44-18-13-12-14-19-44)77(135)102-50(85(143)144)21-17-31-93-86(91)92/h12-14,18-19,38-43,45-55,64-68,111-113H,10-11,15-17,20-37,87,90H2,1-9H3,(H2,88,114)(H2,89,115)(H,94,128)(H,95,134)(H,96,116)(H,97,127)(H,98,129)(H,99,137)(H,100,140)(H,101,142)(H,102,135)(H,103,130)(H,104,138)(H,105,139)(H,106,141)(H,107,132)(H,108,133)(H,109,136)(H,110,131)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,143,144)(H4,91,92,93)/t39-,40-,41-,42+,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,64-,65-,66-,67-,68-/m0/s1 JYMWGUOHJHXNFZ-DIZCYQSMSA-N 50108540 CHEMBL440612::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Gly-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931852 104003758 CHEMBL440612 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203206 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C87H140N24O34/c1-11-39(5)66(110-79(137)54(35-58(90)116)105-81(139)64(91)43(9)113)83(141)100-46(21-16-17-31-88)73(131)111-68(44(10)114)85(143)101-48(24-28-60(119)120)71(129)98-50(26-30-62(123)124)75(133)109-67(40(6)12-2)84(142)107-56(37-112)80(138)99-49(25-29-61(121)122)74(132)108-65(38(3)4)82(140)106-53(34-57(89)115)76(134)95-42(8)70(128)103-55(36-63(125)126)77(135)96-41(7)69(127)97-47(23-27-59(117)118)72(130)104-52(33-45-19-14-13-15-20-45)78(136)102-51(86(144)145)22-18-32-94-87(92)93/h13-15,19-20,38-44,46-56,64-68,112-114H,11-12,16-18,21-37,88,91H2,1-10H3,(H2,89,115)(H2,90,116)(H,95,134)(H,96,135)(H,97,127)(H,98,129)(H,99,138)(H,100,141)(H,101,143)(H,102,136)(H,103,128)(H,104,130)(H,105,139)(H,106,140)(H,107,142)(H,108,132)(H,109,133)(H,110,137)(H,111,131)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,144,145)(H4,92,93,94)/t39-,40-,41-,42-,43+,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-,67-,68-/m0/s1 XUFPXUBAFOXPMD-FQFGCTNHSA-N 50108530 CHEMBL413728::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Ala-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931846 104003748 CHEMBL413728 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203207 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C88H144N24O32/c1-12-42(7)68(111-80(136)57(37-60(91)117)106-82(138)66(92)45(10)114)84(140)101-48(22-17-18-32-89)75(131)112-70(46(11)115)86(142)102-50(25-29-63(121)122)73(129)99-52(27-31-65(125)126)77(133)110-69(43(8)13-2)85(141)108-58(39-113)81(137)100-51(26-30-64(123)124)76(132)109-67(41(5)6)83(139)107-56(36-59(90)116)79(135)104-54(34-40(3)4)72(128)96-38-61(118)97-44(9)71(127)98-49(24-28-62(119)120)74(130)105-55(35-47-20-15-14-16-21-47)78(134)103-53(87(143)144)23-19-33-95-88(93)94/h14-16,20-21,40-46,48-58,66-70,113-115H,12-13,17-19,22-39,89,92H2,1-11H3,(H2,90,116)(H2,91,117)(H,96,128)(H,97,118)(H,98,127)(H,99,129)(H,100,137)(H,101,140)(H,102,142)(H,103,134)(H,104,135)(H,105,130)(H,106,138)(H,107,139)(H,108,141)(H,109,132)(H,110,133)(H,111,136)(H,112,131)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,143,144)(H4,93,94,95)/t42-,43-,44-,45+,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1 SOLXONVLXPVSAK-NHDCHZJKSA-N 50108532 CHEMBL437918::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Gly-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens 119000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931848 104003750 CHEMBL437918 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203208 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C89H146N24O32/c1-13-42(7)68(112-81(137)58(38-61(92)118)107-83(139)66(93)46(11)115)85(141)102-49(23-18-19-33-90)75(131)113-70(47(12)116)87(143)103-51(26-30-63(121)122)73(129)100-53(28-32-65(125)126)77(133)111-69(43(8)14-2)86(142)109-59(39-114)82(138)101-52(27-31-64(123)124)76(132)110-67(41(5)6)84(140)108-57(37-60(91)117)80(136)105-55(35-40(3)4)78(134)98-44(9)71(127)97-45(10)72(128)99-50(25-29-62(119)120)74(130)106-56(36-48-21-16-15-17-22-48)79(135)104-54(88(144)145)24-20-34-96-89(94)95/h15-17,21-22,40-47,49-59,66-70,114-116H,13-14,18-20,23-39,90,93H2,1-12H3,(H2,91,117)(H2,92,118)(H,97,127)(H,98,134)(H,99,128)(H,100,129)(H,101,138)(H,102,141)(H,103,143)(H,104,135)(H,105,136)(H,106,130)(H,107,139)(H,108,140)(H,109,142)(H,110,132)(H,111,133)(H,112,137)(H,113,131)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,144,145)(H4,94,95,96)/t42-,43-,44-,45-,46+,47+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-,67-,68-,69-,70-/m0/s1 RFLVXJJYBPYGLI-SZNOTNTHSA-N 50108534 CHEMBL427580::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Ala-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931849 104003752 CHEMBL427580 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203209 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C46H67N7O12S/c1-26(2)22-34(52-43(61)33(20-21-66-7)51-45(63)40(27(3)4)48-29(6)54)37(55)25-38(56)49-35(23-30-14-10-8-11-15-30)44(62)47-28(5)41(59)50-32(18-19-39(57)58)42(60)53-36(46(64)65)24-31-16-12-9-13-17-31/h8-17,26-28,32-37,40,55H,18-25H2,1-7H3,(H,47,62)(H,48,54)(H,49,56)(H,50,59)(H,51,63)(H,52,61)(H,53,60)(H,57,58)(H,64,65)/t28-,32-,33-,34?,35-,36-,37?,40-/m0/s1 KNEVGEUAYGVXMT-FMBDCQCDSA-N 50108550 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-phenyl-propionylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Sta-Phe-Ala-Glu-Phe-COOH)::CHEMBL89703 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322206 104003768 CHEMBL89703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203210 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C92H152N24O32/c1-14-45(9)71(115-84(140)61(40-64(95)121)110-86(142)69(96)48(12)118)88(144)104-51(24-19-20-34-93)77(133)116-73(49(13)119)90(146)105-53(27-31-66(124)125)75(131)102-55(29-33-68(128)129)79(135)114-72(46(10)15-2)89(145)112-62(41-117)85(141)103-54(28-32-67(126)127)78(134)113-70(44(7)8)87(143)111-60(39-63(94)120)83(139)108-58(37-43(5)6)81(137)107-57(36-42(3)4)80(136)100-47(11)74(130)101-52(26-30-65(122)123)76(132)109-59(38-50-22-17-16-18-23-50)82(138)106-56(91(147)148)25-21-35-99-92(97)98/h16-18,22-23,42-49,51-62,69-73,117-119H,14-15,19-21,24-41,93,96H2,1-13H3,(H2,94,120)(H2,95,121)(H,100,136)(H,101,130)(H,102,131)(H,103,141)(H,104,144)(H,105,146)(H,106,138)(H,107,137)(H,108,139)(H,109,132)(H,110,142)(H,111,143)(H,112,145)(H,113,134)(H,114,135)(H,115,140)(H,116,133)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,147,148)(H4,97,98,99)/t45-,46-,47-,48+,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-,72-,73-/m0/s1 SUDGRAZHRSEMMC-LUYHITCQSA-N 50108524 CHEMBL265158::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Leu-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens 45000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931842 104003742 CHEMBL265158 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203211 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H65N7O12S/c1-23(2)20-30(47-39(57)29(17-19-62-7)46-41(59)36(24(3)4)44-26(6)50)33(51)22-34(52)49-18-11-14-32(49)40(58)43-25(5)37(55)45-28(15-16-35(53)54)38(56)48-31(42(60)61)21-27-12-9-8-10-13-27/h8-10,12-13,23-25,28-33,36,51H,11,14-22H2,1-7H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,53,54)(H,60,61)/t25-,28-,29-,30?,31-,32+,33?,36-/m0/s1 GIKNDGTXDZTXKV-ULFJMECDSA-N 50108546 4-{2-[(1-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoyl}-pyrrolidine-2-carbonyl)-amino]-propionylamino}-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Sta-Pro-Ala-Glu-Phe-COOH)::CHEMBL420418 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322068 104003764 CHEMBL420418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203212 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 CQTBDEGWLSDJEP-JMAXQNTPSA-N 50100436 CHEMBL412768::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149643 103997206 CHEMBL412768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203213 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C93H144N24O34/c1-10-44(5)72(116-85(143)60(40-64(96)122)111-87(145)70(97)47(8)119)89(147)105-51(25-18-19-35-94)78(136)117-74(48(9)120)91(149)106-53(28-32-66(125)126)76(134)103-55(30-34-68(129)130)80(138)115-73(45(6)11-2)90(148)113-62(42-118)86(144)104-54(29-33-67(127)128)79(137)114-71(43(3)4)88(146)112-59(39-63(95)121)84(142)109-58(38-50-23-16-13-17-24-50)83(141)110-61(41-69(131)132)81(139)101-46(7)75(133)102-52(27-31-65(123)124)77(135)108-57(37-49-21-14-12-15-22-49)82(140)107-56(92(150)151)26-20-36-100-93(98)99/h12-17,21-24,43-48,51-62,70-74,118-120H,10-11,18-20,25-42,94,97H2,1-9H3,(H2,95,121)(H2,96,122)(H,101,139)(H,102,133)(H,103,134)(H,104,144)(H,105,147)(H,106,149)(H,107,140)(H,108,135)(H,109,142)(H,110,141)(H,111,145)(H,112,146)(H,113,148)(H,114,137)(H,115,138)(H,116,143)(H,117,136)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,98,99,100)/t44-,45-,46-,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-,71-,72-,73-,74-/m0/s1 IFEYRAGCAOMQQL-NVWYVINMSA-N 50108518 CHEMBL266203::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Phe-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931841 104003736 CHEMBL266203 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203214 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C72H114N16O29/c1-9-35(6)58(87-65(109)43(21-25-55(100)101)79-62(106)41(19-23-53(96)97)81-71(115)59(37(8)90)88-61(105)39(74)17-13-14-26-73)70(114)85-48(32-89)68(112)80-42(20-24-54(98)99)64(108)86-57(34(4)5)69(113)83-45(29-50(75)92)67(111)82-44(27-33(2)3)49(91)31-51(93)77-46(30-56(102)103)66(110)76-36(7)60(104)78-40(18-22-52(94)95)63(107)84-47(72(116)117)28-38-15-11-10-12-16-38/h10-12,15-16,33-37,39-49,57-59,89-91H,9,13-14,17-32,73-74H2,1-8H3,(H2,75,92)(H,76,110)(H,77,93)(H,78,104)(H,79,106)(H,80,112)(H,81,115)(H,82,111)(H,83,113)(H,84,107)(H,85,114)(H,86,108)(H,87,109)(H,88,105)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,116,117)/t35-,36-,37+,39-,40-,41-,42-,43-,44?,45-,46-,47-,48-,49-,57-,58-,59-/m0/s1 LBQXLGXDGRWGSD-BOYFSSGISA-N 50108537 CHEMBL2370074::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta(S-OH)-D-A-E-F Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16148496 104003755 CHEMBL2370074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203215 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O InChI=1S/C35H59N7O14S/c1-16(2)13-23(42-32(52)22(11-12-57-8)41-34(54)29(17(3)4)38-20(7)43)25(44)15-26(45)39-24(14-28(48)49)33(53)36-18(5)30(50)40-21(9-10-27(46)47)31(51)37-19(6)35(55)56/h16-19,21-25,29,44H,9-15H2,1-8H3,(H,36,53)(H,37,51)(H,38,43)(H,39,45)(H,40,50)(H,41,54)(H,42,52)(H,46,47)(H,48,49)(H,55,56)/t18-,19-,21-,22-,23?,24-,25?,29-/m0/s1 QSIMCAZLYQOMAV-YECPNBGISA-N 50108545 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-carboxy-propionylamino)-propionylamino]-4-(1-carboxy-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Sta-Asp-Ala-Glu-Ala-COOH)::CHEMBL2370096 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73354525 104003763 CHEMBL2370096 ZINC95542385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203216 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H65N9O15/c1-20(2)16-27(48-40(63)28(18-31(44)53)49-37(60)22(5)45-38(61)25(43)12-14-33(55)56)30(52)19-32(54)51-35(21(3)4)41(64)46-23(6)36(59)47-26(13-15-34(57)58)39(62)50-29(42(65)66)17-24-10-8-7-9-11-24/h7-11,20-23,25-30,35,52H,12-19,43H2,1-6H3,(H2,44,53)(H,45,61)(H,46,64)(H,47,59)(H,48,63)(H,49,60)(H,50,62)(H,51,54)(H,55,56)(H,57,58)(H,65,66)/t22-,23-,25-,26-,27?,28-,29-,30?,35-/m0/s1 HJPVPUJHAOBTLW-HJCFKMPISA-N 50108526 4-{2-[2-(4-{2-[2-(2-Amino-4-carboxy-butyrylamino)-propionylamino]-3-carbamoyl-propionylamino}-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-butyrylamino]-propionylamino}-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(NH2-Glu-Ala-Asn-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL2370117 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73350049 104003744 CHEMBL2370117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203217 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C72H114N16O29/c1-9-35(6)58(87-65(109)43(21-25-55(100)101)79-62(106)41(19-23-53(96)97)81-71(115)59(37(8)90)88-61(105)39(74)17-13-14-26-73)70(114)85-48(32-89)68(112)80-42(20-24-54(98)99)64(108)86-57(34(4)5)69(113)83-45(29-50(75)92)67(111)82-44(27-33(2)3)49(91)31-51(93)77-46(30-56(102)103)66(110)76-36(7)60(104)78-40(18-22-52(94)95)63(107)84-47(72(116)117)28-38-15-11-10-12-16-38/h10-12,15-16,33-37,39-49,57-59,89-91H,9,13-14,17-32,73-74H2,1-8H3,(H2,75,92)(H,76,110)(H,77,93)(H,78,104)(H,79,106)(H,80,112)(H,81,115)(H,82,111)(H,83,113)(H,84,107)(H,85,114)(H,86,108)(H,87,109)(H,88,105)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,116,117)/t35-,36-,37+,39-,40-,41-,42-,43-,44?,45-,46-,47-,48-,49+,57-,58-,59-/m0/s1 LBQXLGXDGRWGSD-VPWUNZEZSA-N 50108533 CHEMBL2370095::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta(R-OH)-D-A-E-F Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16148708 104003751 CHEMBL2370095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203218 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C90H147N27O34/c1-10-41(5)68(116-81(143)56(37-60(93)122)111-83(145)66(94)44(8)119)85(147)106-47(21-15-16-32-91)75(137)117-70(45(9)120)87(149)107-50(25-29-62(125)126)73(135)104-52(27-31-64(129)130)77(139)115-69(42(6)11-2)86(148)113-58(39-118)82(144)105-51(26-30-63(127)128)76(138)114-67(40(3)4)84(146)112-55(36-59(92)121)80(142)103-48(22-17-33-99-89(95)96)72(134)110-57(38-65(131)132)78(140)101-43(7)71(133)102-49(24-28-61(123)124)74(136)109-54(35-46-19-13-12-14-20-46)79(141)108-53(88(150)151)23-18-34-100-90(97)98/h12-14,19-20,40-45,47-58,66-70,118-120H,10-11,15-18,21-39,91,94H2,1-9H3,(H2,92,121)(H2,93,122)(H,101,140)(H,102,133)(H,103,142)(H,104,135)(H,105,144)(H,106,147)(H,107,149)(H,108,141)(H,109,136)(H,110,134)(H,111,145)(H,112,146)(H,113,148)(H,114,138)(H,115,139)(H,116,143)(H,117,137)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,95,96,99)(H4,97,98,100)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1 ZWZHXXZTHFTPLD-MJIPZAAXSA-N 50108536 CHEMBL411367::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Arg-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931851 104003754 CHEMBL411367 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203219 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N9O15/c1-21(2)17-28(49-41(64)29(19-32(46)55)50-43(66)37(23(5)6)53-39(62)26(45)13-15-34(57)58)31(54)20-33(56)52-36(22(3)4)42(65)47-24(7)38(61)48-27(14-16-35(59)60)40(63)51-30(44(67)68)18-25-11-9-8-10-12-25/h8-12,21-24,26-31,36-37,54H,13-20,45H2,1-7H3,(H2,46,55)(H,47,65)(H,48,61)(H,49,64)(H,50,66)(H,51,63)(H,52,56)(H,53,62)(H,57,58)(H,59,60)(H,67,68)/t24-,26-,27-,28?,29-,30-,31?,36-,37-/m0/s1 JKPIGOLCXAOIJV-DABCXOIOSA-N 50108528 4-{2-[2-(4-{2-[2-(2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-carbamoyl-propionylamino}-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-butyrylamino]-propionylamino}-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(NH2-Glu-Val-Asn-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL2370116 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73354529 104003746 CHEMBL2370116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203220 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H62N8O12/c1-19(2)15-25(44-36(55)26(17-29(40)49)45-37(56)32(41)20(3)4)28(48)18-30(50)47-33(21(5)6)38(57)42-22(7)34(53)43-24(13-14-31(51)52)35(54)46-27(39(58)59)16-23-11-9-8-10-12-23/h8-12,19-22,24-28,32-33,48H,13-18,41H2,1-7H3,(H2,40,49)(H,42,57)(H,43,53)(H,44,55)(H,45,56)(H,46,54)(H,47,50)(H,51,52)(H,58,59)/t22-,24-,25?,26-,27-,28?,32-,33-/m0/s1 JEJHICBBMUGNFZ-LHDPOSOWSA-N 50108555 4-[2-(2-{4-[2-(2-Amino-3-methyl-butyrylamino)-3-carbamoyl-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(NH2-Val-Asn-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL2370094 Beta-secretase 1 Homo sapiens 9000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73351551 104003773 CHEMBL2370094 ZINC95544664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203221 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O)C(C)(C)C InChI=1S/C36H63N7O12S/c1-17(2)15-25(42-33(51)24(13-14-56-10)41-35(53)29(18(3)4)39-22(9)44)26(45)16-27(46)43-30(19(5)6)34(52)37-20(7)31(49)40-23(11-12-28(47)48)32(50)38-21(8)36(54)55/h17-21,23-26,29-30,45H,11-16H2,1-10H3,(H,37,52)(H,38,50)(H,39,44)(H,40,49)(H,41,53)(H,42,51)(H,43,46)(H,47,48)(H,54,55)/t20-,21-,23-,24-,25?,26?,29-,30-/m0/s1 WBFXLAYXXOHYRY-FIEODYIPSA-N 50108522 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Sta-Val-Ala-Glu-Ala-COOH)::CHEMBL2370115 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73348464 104003740 CHEMBL2370115 ZINC95607939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203222 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C88H142N24O35/c1-11-39(5)66(110-78(137)53(34-57(90)117)104-81(140)64(92)42(8)114)83(142)100-46(21-16-17-31-89)73(132)111-68(43(9)115)85(144)101-48(24-28-60(121)122)71(130)98-50(26-30-62(125)126)75(134)109-67(40(6)12-2)84(143)107-56(37-113)80(139)99-49(25-29-61(123)124)74(133)108-65(38(3)4)82(141)105-54(35-58(91)118)79(138)112-69(44(10)116)86(145)106-55(36-63(127)128)76(135)96-41(7)70(129)97-47(23-27-59(119)120)72(131)103-52(33-45-19-14-13-15-20-45)77(136)102-51(87(146)147)22-18-32-95-88(93)94/h13-15,19-20,38-44,46-56,64-69,113-116H,11-12,16-18,21-37,89,92H2,1-10H3,(H2,90,117)(H2,91,118)(H,96,135)(H,97,129)(H,98,130)(H,99,139)(H,100,142)(H,101,144)(H,102,136)(H,103,131)(H,104,140)(H,105,141)(H,106,145)(H,107,143)(H,108,133)(H,109,134)(H,110,137)(H,111,132)(H,112,138)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,93,94,95)/t39-,40-,41-,42+,43+,44?,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-,67-,68-,69-/m0/s1 ZHDRSJWNMCFHCE-PWWADMGWSA-N 50108525 CHEMBL2370091::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Thr-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73348463 104003743 CHEMBL2370091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203223 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C89H144N24O34S/c1-11-41(5)68(112-81(139)56(37-60(92)118)107-83(141)66(93)44(8)115)85(143)102-47(21-16-17-32-90)75(133)113-70(45(9)116)87(145)103-49(24-28-62(121)122)72(130)99-51(26-30-64(125)126)77(135)111-69(42(6)12-2)86(144)109-58(39-114)82(140)100-50(25-29-63(123)124)76(134)110-67(40(3)4)84(142)108-55(36-59(91)117)80(138)101-52(31-34-148-10)74(132)106-57(38-65(127)128)78(136)97-43(7)71(129)98-48(23-27-61(119)120)73(131)105-54(35-46-19-14-13-15-20-46)79(137)104-53(88(146)147)22-18-33-96-89(94)95/h13-15,19-20,40-45,47-58,66-70,114-116H,11-12,16-18,21-39,90,93H2,1-10H3,(H2,91,117)(H2,92,118)(H,97,136)(H,98,129)(H,99,130)(H,100,140)(H,101,138)(H,102,143)(H,103,145)(H,104,137)(H,105,131)(H,106,132)(H,107,141)(H,108,142)(H,109,144)(H,110,134)(H,111,135)(H,112,139)(H,113,133)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,94,95,96)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1 VNOIDBZEGUIAAL-MJIPZAAXSA-N 50108543 CHEMBL405808::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Met-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931853 104003761 CHEMBL405808 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203224 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C92H153N25O32/c1-12-45(7)71(116-84(141)61(41-64(96)122)111-86(143)69(97)48(10)119)88(145)106-52(25-18-20-36-94)78(135)117-73(49(11)120)90(147)107-54(28-32-66(125)126)76(133)104-56(30-34-68(129)130)80(137)115-72(46(8)13-2)89(146)113-62(42-118)85(142)105-55(29-33-67(127)128)79(136)114-70(44(5)6)87(144)112-60(40-63(95)121)83(140)109-58(38-43(3)4)81(138)103-51(24-17-19-35-93)75(132)101-47(9)74(131)102-53(27-31-65(123)124)77(134)110-59(39-50-22-15-14-16-23-50)82(139)108-57(91(148)149)26-21-37-100-92(98)99/h14-16,22-23,43-49,51-62,69-73,118-120H,12-13,17-21,24-42,93-94,97H2,1-11H3,(H2,95,121)(H2,96,122)(H,101,132)(H,102,131)(H,103,138)(H,104,133)(H,105,142)(H,106,145)(H,107,147)(H,108,139)(H,109,140)(H,110,134)(H,111,143)(H,112,144)(H,113,146)(H,114,136)(H,115,137)(H,116,141)(H,117,135)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,98,99,100)/t45-,46-,47-,48+,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-,72-,73-/m0/s1 YYGKMEHTMNAWHZ-LUYHITCQSA-N 50108531 CHEMBL406089::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Lys-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931847 104003749 CHEMBL406089 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203225 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C91H150N24O32/c1-14-44(9)70(114-82(138)59(39-62(94)120)108-84(140)67(95)47(12)117)87(143)103-50(24-19-20-34-92)76(132)115-72(48(13)118)89(145)104-52(27-31-64(123)124)74(130)101-54(29-33-66(127)128)78(134)113-71(45(10)15-2)88(144)110-60(40-116)83(139)102-53(28-32-65(125)126)77(133)111-69(43(7)8)86(142)109-58(38-61(93)119)80(136)106-56(36-41(3)4)81(137)112-68(42(5)6)85(141)99-46(11)73(129)100-51(26-30-63(121)122)75(131)107-57(37-49-22-17-16-18-23-49)79(135)105-55(90(146)147)25-21-35-98-91(96)97/h16-18,22-23,41-48,50-60,67-72,116-118H,14-15,19-21,24-40,92,95H2,1-13H3,(H2,93,119)(H2,94,120)(H,99,141)(H,100,129)(H,101,130)(H,102,139)(H,103,143)(H,104,145)(H,105,135)(H,106,136)(H,107,131)(H,108,140)(H,109,142)(H,110,144)(H,111,133)(H,112,137)(H,113,134)(H,114,138)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,96,97,98)/t44-,45-,46-,47+,48+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-,68-,69-,70-,71-,72-/m0/s1 PBBKPYKFESCJET-DLSSGZJPSA-N 50108535 CHEMBL441187::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Val-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931850 104003753 CHEMBL441187 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203226 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C95H150N24O32/c1-12-47(7)74(118-87(143)64(43-67(98)124)113-89(145)72(99)50(10)121)91(147)107-54(27-20-21-37-96)80(136)119-76(51(11)122)93(149)108-56(30-34-69(127)128)78(134)105-58(32-36-71(131)132)82(138)117-75(48(8)13-2)92(148)115-65(44-120)88(144)106-57(31-35-70(129)130)81(137)116-73(46(5)6)90(146)114-63(42-66(97)123)86(142)110-60(39-45(3)4)84(140)112-61(40-52-23-16-14-17-24-52)83(139)103-49(9)77(133)104-55(29-33-68(125)126)79(135)111-62(41-53-25-18-15-19-26-53)85(141)109-59(94(150)151)28-22-38-102-95(100)101/h14-19,23-26,45-51,54-65,72-76,120-122H,12-13,20-22,27-44,96,99H2,1-11H3,(H2,97,123)(H2,98,124)(H,103,139)(H,104,133)(H,105,134)(H,106,144)(H,107,147)(H,108,149)(H,109,141)(H,110,142)(H,111,135)(H,112,140)(H,113,145)(H,114,146)(H,115,148)(H,116,137)(H,117,138)(H,118,143)(H,119,136)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,100,101,102)/t47-,48-,49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-,75-,76-/m0/s1 URZOOXFOFSFBEB-YIWNHYTNSA-N 50108547 CHEMBL263333::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Phe-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931854 104003765 CHEMBL263333 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203227 CC(C)CC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O13/c1-20(2)16-27(46-38(58)28(18-31(42)52)47-40(60)34(21(3)4)44-24(8)50)30(51)19-32(53)49-35(22(5)6)39(59)43-23(7)36(56)45-26(14-15-33(54)55)37(57)48-29(41(61)62)17-25-12-10-9-11-13-25/h9-13,20-23,26-30,34-35,51H,14-19H2,1-8H3,(H2,42,52)(H,43,59)(H,44,50)(H,45,56)(H,46,58)(H,47,60)(H,48,57)(H,49,53)(H,54,55)(H,61,62)/t23-,26-,27?,28-,29-,30?,34-,35-/m0/s1 ZWEOSGYJDKFDML-ZKZXMJOLSA-N 50108538 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-carbamoyl-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(N-acetyl-Val-Asn-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL315706 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44321855 104003756 CHEMBL315706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203228 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C40H65N7O10S/c1-21(2)18-29(45-37(53)28(16-17-58-10)44-39(55)33(22(3)4)43-26(9)48)31(49)20-32(50)47-34(23(5)6)38(54)42-24(7)35(51)41-25(8)36(52)46-30(40(56)57)19-27-14-12-11-13-15-27/h11-15,21-25,28-31,33-34,49H,16-20H2,1-10H3,(H,41,51)(H,42,54)(H,43,48)(H,44,55)(H,45,53)(H,46,52)(H,47,50)(H,56,57)/t24-,25-,28-,29?,30-,31?,33-,34-/m0/s1 TTWUFVMWZBEZFU-WXFLAHRJSA-N 50108539 2-{2-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-propionylamino}-3-phenyl-propionic acid(Ac-Val-Met-Sta-Val-Ala-Ala-Phe-COOH)::CHEMBL2370097 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73350046 104003757 CHEMBL2370097 ZINC95544702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203229 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C78H126N20O30/c1-9-38(6)62(97-69(119)46(23-27-59(110)111)88-66(116)44(21-25-57(106)107)90-76(126)63(40(8)100)98-65(115)42(80)18-13-14-28-79)75(125)95-52(35-99)73(123)89-45(22-26-58(108)109)68(118)96-61(37(4)5)74(124)94-50(32-54(81)102)72(122)92-48(30-36(2)3)53(101)34-55(103)86-51(33-60(112)113)70(120)85-39(7)64(114)87-43(20-24-56(104)105)67(117)93-49(31-41-16-11-10-12-17-41)71(121)91-47(77(127)128)19-15-29-84-78(82)83/h10-12,16-17,36-40,42-53,61-63,99-101H,9,13-15,18-35,79-80H2,1-8H3,(H2,81,102)(H,85,120)(H,86,103)(H,87,114)(H,88,116)(H,89,123)(H,90,126)(H,91,121)(H,92,122)(H,93,117)(H,94,124)(H,95,125)(H,96,118)(H,97,119)(H,98,115)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,127,128)(H4,82,83,84)/t38-,39-,40+,42-,43-,44-,45-,46-,47-,48?,49-,50-,51-,52-,53-,61-,62-,63-/m0/s1 CCAXOXYJXXZEOE-PZQMPCRLSA-N 50108558 CHEMBL2370075::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta(S-OH)-D-A-E-F-R Beta-secretase 1 Homo sapiens 60000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73345437 104003776 CHEMBL2370075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203230 CC(C)CC(NC(=O)[C@@H](N)CC(N)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C34H53N7O11/c1-17(2)13-23(39-31(48)21(35)15-26(36)43)25(42)16-27(44)41-29(18(3)4)33(50)37-19(5)30(47)38-22(11-12-28(45)46)32(49)40-24(34(51)52)14-20-9-7-6-8-10-20/h6-10,17-19,21-25,29,42H,11-16,35H2,1-5H3,(H2,36,43)(H,37,50)(H,38,47)(H,39,48)(H,40,49)(H,41,44)(H,45,46)(H,51,52)/t19-,21-,22-,23?,24-,25?,29-/m0/s1 COVANGFPLNQTMC-VZARCCHHSA-N 50108553 4-(2-{2-[4-(2-Amino-3-carbamoyl-propionylamino)-3-hydroxy-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(NH2-Asn-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL89773 Beta-secretase 1 Homo sapiens >150000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44321943 104003771 CHEMBL89773 ZINC26578195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203231 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O InChI=1S/C28H51N5O8S/c1-14(2)12-20(21(35)13-22(36)33-24(16(5)6)26(38)29-17(7)28(40)41)32-25(37)19(10-11-42-9)31-27(39)23(15(3)4)30-18(8)34/h14-17,19-21,23-24,35H,10-13H2,1-9H3,(H,29,38)(H,30,34)(H,31,39)(H,32,37)(H,33,36)(H,40,41)/t17-,19-,20?,21?,23-,24-/m0/s1 NCWFTLAOCWDZLU-VRROHFLMSA-N 50108554 2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionic acid(Ac-Val-Met-Sta-Val-Ala-COOH)::CHEMBL327545 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44322212 104003772 CHEMBL327545 ZINC26578511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203232 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C71H114N16O27/c1-10-35(6)57(86-65(107)44(22-26-55(99)100)78-62(104)42(20-24-53(95)96)80-70(112)58(38(9)89)87-61(103)40(73)18-14-15-27-72)69(111)84-48(32-88)67(109)79-43(21-25-54(97)98)64(106)85-56(34(4)5)68(110)82-46(30-50(74)91)66(108)81-45(28-33(2)3)49(90)31-51(92)75-36(7)59(101)76-37(8)60(102)77-41(19-23-52(93)94)63(105)83-47(71(113)114)29-39-16-12-11-13-17-39/h11-13,16-17,33-38,40-49,56-58,88-90H,10,14-15,18-32,72-73H2,1-9H3,(H2,74,91)(H,75,92)(H,76,101)(H,77,102)(H,78,104)(H,79,109)(H,80,112)(H,81,108)(H,82,110)(H,83,105)(H,84,111)(H,85,106)(H,86,107)(H,87,103)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,113,114)/t35-,36-,37-,38+,40-,41-,42-,43-,44-,45?,46-,47-,48-,49-,56-,57-,58-/m0/s1 KPVMIAVXWMUAFM-SNTSIXRVSA-N 50108551 CHEMBL2370121::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta(S-OH)-A-A-E-F Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149641 104003769 CHEMBL2370121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203233 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O InChI=1S/C37H65N7O12S/c1-18(2)16-25(43-33(52)24(14-15-57-11)42-34(53)29(19(3)4)40-22(7)45)26(46)17-27(47)44-30(37(8,9)10)35(54)38-20(5)31(50)41-23(12-13-28(48)49)32(51)39-21(6)36(55)56/h18-21,23-26,29-30,46H,12-17H2,1-11H3,(H,38,54)(H,39,51)(H,40,45)(H,41,50)(H,42,53)(H,43,52)(H,44,47)(H,48,49)(H,55,56)/t20-,21-,23-,24-,25?,26?,29-,30+/m0/s1 HBNLJMCTBPDKBH-MBTDHKEKSA-N 50108521 4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3,3-dimethyl-butyrylamino)-propionylamino]-4-(1-carboxy-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Sta-tleu-Ala-Glu-Ala-COOH)::CHEMBL2370107 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73353004 104003739 CHEMBL2370107 ZINC95611035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203234 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C89H142N24O36/c1-10-40(5)68(112-81(141)55(36-59(92)118)107-83(143)66(93)43(8)115)85(145)102-46(20-15-16-32-90)75(135)113-70(44(9)116)87(147)103-49(24-29-62(123)124)72(132)99-51(26-31-64(127)128)77(137)111-69(41(6)11-2)86(146)109-57(38-114)82(142)101-50(25-30-63(125)126)76(136)110-67(39(3)4)84(144)108-54(35-58(91)117)80(140)100-48(23-28-61(121)122)74(134)106-56(37-65(129)130)78(138)97-42(7)71(131)98-47(22-27-60(119)120)73(133)105-53(34-45-18-13-12-14-19-45)79(139)104-52(88(148)149)21-17-33-96-89(94)95/h12-14,18-19,39-44,46-57,66-70,114-116H,10-11,15-17,20-38,90,93H2,1-9H3,(H2,91,117)(H2,92,118)(H,97,138)(H,98,131)(H,99,132)(H,100,140)(H,101,142)(H,102,145)(H,103,147)(H,104,139)(H,105,133)(H,106,134)(H,107,143)(H,108,144)(H,109,146)(H,110,136)(H,111,137)(H,112,141)(H,113,135)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,94,95,96)/t40-,41-,42-,43+,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,66-,67-,68-,69-,70-/m0/s1 AGNRNJFFSCVFQP-BHJBNJRFSA-N 50108556 CHEMBL410405::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Glu-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931855 104003774 CHEMBL410405 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203235 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C89H144N24O34/c1-12-41(7)68(112-80(138)54(35-58(91)117)105-82(140)65(93)44(10)115)85(143)101-47(22-17-18-32-90)74(132)113-70(45(11)116)87(145)102-49(25-29-61(121)122)72(130)99-51(27-31-63(125)126)76(134)111-69(42(8)13-2)86(144)108-57(38-114)81(139)100-50(26-30-62(123)124)75(133)109-66(39(3)4)83(141)106-55(36-59(92)118)79(137)110-67(40(5)6)84(142)107-56(37-64(127)128)77(135)97-43(9)71(129)98-48(24-28-60(119)120)73(131)104-53(34-46-20-15-14-16-21-46)78(136)103-52(88(146)147)23-19-33-96-89(94)95/h14-16,20-21,39-45,47-57,65-70,114-116H,12-13,17-19,22-38,90,93H2,1-11H3,(H2,91,117)(H2,92,118)(H,97,135)(H,98,129)(H,99,130)(H,100,139)(H,101,143)(H,102,145)(H,103,136)(H,104,131)(H,105,140)(H,106,141)(H,107,142)(H,108,144)(H,109,133)(H,110,137)(H,111,134)(H,112,138)(H,113,132)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,94,95,96)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,65-,66-,67-,68-,69-,70-/m0/s1 NOUVMLGDVWRNAA-YGTMEFQXSA-N 50108559 CHEMBL405443::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Val-Asp-Ala-Glu-Phe-Arg Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91931857 104003777 CHEMBL405443 C04026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203236 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H65N7O13S/c1-21(2)18-29(46-38(57)28(16-17-62-8)45-39(58)34(22(3)4)43-25(7)50)31(51)20-32(52)48-35(24(6)49)40(59)42-23(5)36(55)44-27(14-15-33(53)54)37(56)47-30(41(60)61)19-26-12-10-9-11-13-26/h9-13,21-24,27-31,34-35,49,51H,14-20H2,1-8H3,(H,42,59)(H,43,50)(H,44,55)(H,45,58)(H,46,57)(H,47,56)(H,48,52)(H,53,54)(H,60,61)/t23-,24-,27-,28-,29?,30-,31?,34-,35-/m0/s1 MHZZEGPJHHUBCN-AVHFOCMYSA-N 50370144 CHEMBL1790741 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56681789 160849246 CHEMBL1790741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50203237 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC(C)=O InChI=1S/C74H116N16O30/c1-10-36(6)60(89-67(111)45(22-26-57(102)103)81-64(108)43(20-24-55(98)99)83-73(117)61(38(8)92)90-63(107)41(76)18-14-15-27-75)72(116)87-50(33-91)70(114)82-44(21-25-56(100)101)66(110)88-59(35(4)5)71(115)85-47(30-52(77)94)69(113)84-46(28-34(2)3)51(120-39(9)93)32-53(95)79-48(31-58(104)105)68(112)78-37(7)62(106)80-42(19-23-54(96)97)65(109)86-49(74(118)119)29-40-16-12-11-13-17-40/h11-13,16-17,34-38,41-51,59-61,91-92H,10,14-15,18-33,75-76H2,1-9H3,(H2,77,94)(H,78,112)(H,79,95)(H,80,106)(H,81,108)(H,82,114)(H,83,117)(H,84,113)(H,85,115)(H,86,109)(H,87,116)(H,88,110)(H,89,111)(H,90,107)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,118,119)/t36-,37-,38+,41-,42-,43-,44-,45-,46?,47-,48-,49-,50-,51-,59-,60-,61-/m0/s1 BQYNELCPVWCZLF-MTWCRHMPSA-N 50108519 CHEMBL2370123::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta(S-OAc)-D-A-E-F Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm0155695 10.7270/Q23F4QC5 11784130 Tung, JS; Davis, DL; Anderson, JP; Walker, DE; Mamo, S; Jewett, N; Hom, RK; Sinha, S; Thorsett, ED; John, V TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149773 104003737 CHEMBL2370123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204275 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(Cc1ccccc1)C(O)=O InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32?,33+,37+/m1/s1 CFIWWTUUSMMDDA-LXXFIEGDSA-N 50128034 4-[2-(5-{2-[2-(2-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-3-carboxy-propionylamino}-4-hydroxy-2,7-dimethyl-octanoylamino)-3-methyl-butyrylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL264379 Beta-secretase 1 Homo sapiens 0.320000 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305509 104019827 CHEMBL264379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204276 CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H60N6O8/c1-20(2)16-25(27(43)17-23(7)31(45)41-29(21(3)4)33(47)38-19-24-14-12-11-13-15-24)39-32(46)26(18-28(37)44)40-34(48)30(22(5)6)42-35(49)50-36(8,9)10/h11-15,20-23,25-27,29-30,43H,16-19H2,1-10H3,(H2,37,44)(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)/t23?,25-,26?,27?,29?,30-/m0/s1 VBXFKHHFSHCRHR-DVGSSWORSA-N 50128035 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL304010 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305870 104019828 CHEMBL304010 ZINC34803791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204277 CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O9S/c1-21(2)17-26(28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25)38-32(44)27(20-51(11,48)49)39-34(46)30(23(5)6)41-35(47)50-36(8,9)10/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24?,26-,27?,28?,29?,30-/m0/s1 HQRXSCRNSOFDNU-PBMXFAJYSA-N 50128042 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL294274 Beta-secretase 1 Homo sapiens 9.4 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305869 104019835 CHEMBL294274 ZINC34803803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204278 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204279 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30?,31-/m0/s1 OTAKXFOXYSLTCG-SIGMNKRFSA-N 50128033 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL293611 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305868 104019826 CHEMBL293611 ZINC34803798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204280 CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O9S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-52(11,49)50)39-35(47)31(24(5)6)42-36(48)51-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30?,31-/m0/s1 ZPHIGADCEJRCRP-SIGMNKRFSA-N 50128038 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methanesulfonyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methanesulfonyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL440490 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305867 104019831 CHEMBL440490 ZINC34803812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204281 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1 InChI=1S/C29H47N5O7/c1-17(2)13-21(33-27(39)22(15-24(30)36)34-28(40)41-29(5,6)7)23(35)14-18(3)25(37)32-19(4)26(38)31-16-20-11-9-8-10-12-20/h8-12,17-19,21-23,35H,13-16H2,1-7H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,39)(H,34,40)/t18?,19?,21-,22-,23?/m0/s1 MOALZWBFKAHSKG-YAWANRSYSA-N 50128036 CHEMBL431917::{1-[4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 22423 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305827 104019829 CHEMBL431917 ZINC26176172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204282 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C31H52N4O8S/c1-19(2)15-23(33-28(38)24(18-44(9,41)42)34-30(40)43-31(6,7)8)25(36)16-21(5)27(37)35-26(20(3)4)29(39)32-17-22-13-11-10-12-14-22/h10-14,19-21,23-26,36H,15-18H2,1-9H3,(H,32,39)(H,33,38)(H,34,40)(H,35,37)/t21?,23-,24-,25?,26?/m0/s1 XLXYOWSUVOIWNA-UOGLQAJTSA-N 50128037 CHEMBL302833::{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methanesulfonyl-ethyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 1129 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305484 104019830 CHEMBL302833 ZINC26183931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204283 CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C36H61N5O7S/c1-21(2)17-26(38-32(44)27(20-49-11)39-34(46)30(23(5)6)41-35(47)48-36(8,9)10)28(42)18-24(7)31(43)40-29(22(3)4)33(45)37-19-25-15-13-12-14-16-25/h12-16,21-24,26-30,42H,17-20H2,1-11H3,(H,37,45)(H,38,44)(H,39,46)(H,40,43)(H,41,47)/t24?,26-,27?,28?,29?,30-/m0/s1 MWJGDTZPZCVPJM-PBMXFAJYSA-N 50128032 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL65752 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305946 104019825 CHEMBL65752 ZINC34803834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204284 CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1 InChI=1S/C34H56N6O8/c1-19(2)15-24(26(41)16-21(5)29(43)37-22(6)30(44)36-18-23-13-11-10-12-14-23)38-31(45)25(17-27(35)42)39-32(46)28(20(3)4)40-33(47)48-34(7,8)9/h10-14,19-22,24-26,28,41H,15-18H2,1-9H3,(H2,35,42)(H,36,44)(H,37,43)(H,38,45)(H,39,46)(H,40,47)/t21?,22?,24-,25?,26?,28-/m0/s1 MOLFRSZYCOAPEA-LZBFNTLVSA-N 50128040 ((S)-1-{1-[(S)-4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::(1-{1-[4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL65981 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305918 104019833 CHEMBL65981 ZINC34803820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204285 CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H54N4O6S/c1-20(2)17-25(34-29(39)24(15-16-43-9)35-31(41)42-32(6,7)8)26(37)18-22(5)28(38)36-27(21(3)4)30(40)33-19-23-13-11-10-12-14-23/h10-14,20-22,24-27,37H,15-19H2,1-9H3,(H,33,40)(H,34,39)(H,35,41)(H,36,38)/t22?,24?,25-,26?,27?/m0/s1 QFTDPCREZCGEQF-SVIXXHIISA-N 50128039 CHEMBL66595::{1-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester::{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 5808 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305543 104019832 CHEMBL66595 ZINC34803827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204286 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(CC(C)C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C40H69N5O7S/c1-24(2)20-29(35(47)44-33(26(5)6)37(49)41-23-28-16-14-13-15-17-28)22-32(46)31(21-25(3)4)43-36(48)30(18-19-53-12)42-38(50)34(27(7)8)45-39(51)52-40(9,10)11/h13-17,24-27,29-34,46H,18-23H2,1-12H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t29?,30?,31-,32?,33?,34-/m0/s1 LNMPJCHUUOFABS-RZUSLOTHSA-N 50128041 (1-{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-6-methyl-heptylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL302651 Beta-secretase 1 Homo sapiens 10491 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10078868 104019834 CHEMBL302651 ZINC49654685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50204287 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 InChI=1S/C31H51N5O7/c1-18(2)14-22(34-28(40)23(16-25(32)38)35-30(42)43-31(6,7)8)24(37)15-20(5)27(39)36-26(19(3)4)29(41)33-17-21-12-10-9-11-13-21/h9-13,18-20,22-24,26,37H,14-17H2,1-8H3,(H2,32,38)(H,33,41)(H,34,40)(H,35,42)(H,36,39)/t20?,22-,23-,24?,26?/m0/s1 ZGVWYOCELUQYGV-JAOXTBIQSA-N 50128044 CHEMBL305381::{1-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid tert-butyl ester Beta-secretase 1 Homo sapiens 3134 ChEMBL 10.1021/jm020513b 10.7270/Q2SN09P0 12747779 Tounge, BA; Reynolds, CH Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305828 104019837 CHEMBL305381 ZINC26176188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200060 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29ClN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 FJEOSITYEZCOMQ-OYFGVDPJSA-N 50277594 CHEMBL448015::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-chloro-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591546 104120146 CHEMBL448015 ZINC49833334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200061 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H28BrFN8O5/c34-22-15-26(37-27(16-22)33(47)43-18-48-17-28(43)20-9-11-23(35)12-10-20)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 UVGZTJXPFSPHQY-OYFGVDPJSA-N 50277598 CHEMBL453211::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-bromo-6-((S)-4-(4-fluorophenyl)oxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591550 104120150 CHEMBL453211 ZINC49841549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200062 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1 CLHGRAHPLPVFAC-WBAQKLHDSA-N 50182869 CHEMBL439521::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962093 104067484 CHEMBL439521 ZINC95543009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201044 CSc1cccc2c(O)c(cnc12)C(=O)Nc1ccc(cc1)N(CCO)CCO InChI=1S/C21H23N3O4S/c1-29-18-4-2-3-16-19(18)22-13-17(20(16)27)21(28)23-14-5-7-15(8-6-14)24(9-11-25)10-12-26/h2-8,13,25-26H,9-12H2,1H3,(H,22,27)(H,23,28) XQWYCFHKCSPZER-UHFFFAOYSA-N 50364305 CHEMBL1952317 Beta-secretase 1 Homo sapiens 3840 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396520 136968367 CHEMBL1952317 ZINC73278282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201045 OCCN(CCO)c1ccc(NC(=O)c2cnc3cc(Cl)cc(Cl)c3c2O)cc1 InChI=1S/C20H19Cl2N3O4/c21-12-9-16(22)18-17(10-12)23-11-15(19(18)28)20(29)24-13-1-3-14(4-2-13)25(5-7-26)6-8-27/h1-4,9-11,26-27H,5-8H2,(H,23,28)(H,24,29) SKZQIZSEIJUFOR-UHFFFAOYSA-N 50364303 CHEMBL1952315 Beta-secretase 1 Homo sapiens 2270 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399972 136968365 CHEMBL1952315 ZINC73277580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201046 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201047 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 WMBWREPUVVBILR-WIYYLYMNSA-N 50070942 (-)-Epigallocatechin gallate::(-)-Epigallocatechin-3-o-gallate::(-)-epigallocatechin 3-gallate::(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::CHEMBL297453::EGCG::Epigallocatechin 3-gallate::Epigallocatechin monogallate, B::cid_65064 Beta-secretase 1 Homo sapiens 757 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50070942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50070942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EGG 65064 103964753 4806 CHEMBL297453 7002 C09731 ZINC03870412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201048 CSc1ccc2c(O)c(cnc2c1)C(=O)Nc1ccc(cc1)N(CCO)CCO InChI=1S/C21H23N3O4S/c1-29-16-6-7-17-19(12-16)22-13-18(20(17)27)21(28)23-14-2-4-15(5-3-14)24(8-10-25)9-11-26/h2-7,12-13,25-26H,8-11H2,1H3,(H,22,27)(H,23,28) FAGICHDRIRRBSD-UHFFFAOYSA-N 50364304 CHEMBL1952316 Beta-secretase 1 Homo sapiens 2810 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57398311 136968366 CHEMBL1952316 ZINC73277584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200063 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H28ClFN8O5/c34-22-15-26(37-27(16-22)33(47)43-18-48-17-28(43)20-9-11-23(35)12-10-20)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 UVDIEGWQUNXUPW-OYFGVDPJSA-N 50277597 CHEMBL501242::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-chloro-6-((S)-4-(4-fluorophenyl)oxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591549 104120149 CHEMBL501242 ZINC49889325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200064 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 HNWIZDPHFDXSOR-BSSYVKIHSA-N 50234178 CHEMBL255838::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxam::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16043232 104055866 CHEMBL255838 ZINC95548932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200065 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29IN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 FZSSGIILDGKZIA-OYFGVDPJSA-N 50277596 CHEMBL504917::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-iodo-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591548 104120148 CHEMBL504917 ZINC95615793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200066 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H29BrN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 VJRDPWORFMXZOD-OYFGVDPJSA-N 50277595 CHEMBL445281::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-bromo-6-((S)-4-phenyloxazolidine-3-carbonyl)picolinamide Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591547 104120147 CHEMBL445281 ZINC49823097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200067 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200068 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50200069 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C33H28FIN8O5/c34-22-11-9-20(10-12-22)28-17-48-18-43(28)33(47)27-16-23(35)15-26(37-27)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 CNPPSYRJSKDYBM-OYFGVDPJSA-N 50277599 CHEMBL507541::N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-6-((S)-4-(4-fluorophenyl)oxazolidine-3-carbonyl)-4-iodopicolinamide Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.11.102 10.7270/Q2BZ66GD 22178553 Hamada, Y; Tagad, HD; Nishimura, Y; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44591551 104120151 CHEMBL507541 ZINC95615740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201085 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201087 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201088 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 WMBWREPUVVBILR-WIYYLYMNSA-N 50070942 (-)-Epigallocatechin gallate::(-)-Epigallocatechin-3-o-gallate::(-)-epigallocatechin 3-gallate::(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::CHEMBL297453::EGCG::Epigallocatechin 3-gallate::Epigallocatechin monogallate, B::cid_65064 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50070942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50070942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EGG 65064 103964753 4806 CHEMBL297453 7002 C09731 ZINC03870412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201095 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 19.9 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201097 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 45.0 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50201105 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.12.034 10.7270/Q24Q7VGC 22225636 Cheng, XR; Zhou, JW; Zhou, Y; Cheng, JP; Yang, RF; Zhou, WX; Zhang, YX; Yun, LH Beijing Institute of Pharmacology and Toxicology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196768 COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 InChI=1S/C30H28N2O3/c1-35-25-17-15-23(16-18-25)30(34)31(19-22-9-3-2-4-10-22)20-24(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,24,33H,19-21H2,1H3 KNWSYXWWMCAJDX-UHFFFAOYSA-N 50356533 CHEMBL1909694 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390902 136960557 CHEMBL1909694 ZINC73140606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196769 OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H25ClN2O2/c30-23-16-14-22(15-17-23)29(34)31(18-21-8-2-1-3-9-21)19-24(33)20-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32/h1-17,24,33H,18-20H2 VTHRKVLASAECSE-UHFFFAOYSA-N 50356532 CHEMBL1909693 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397990 136960556 CHEMBL1909693 ZINC73139866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196770 OC(CN(Cc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H26N2O2/c32-24(21-31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)31)20-30(19-22-11-3-1-4-12-22)29(33)23-13-5-2-6-14-23/h1-18,24,32H,19-21H2 VFYUPGNLMSNIOO-UHFFFAOYSA-N 50356531 CHEMBL1909692 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392702 136960555 CHEMBL1909692 ZINC73140747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196771 OC(CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H22N2O/c28-19(16-26-23-13-7-9-18-8-1-2-10-20(18)23)17-27-24-14-5-3-11-21(24)22-12-4-6-15-25(22)27/h1-15,19,26,28H,16-17H2 YIHWSRRVVHAGEH-UHFFFAOYSA-N 50356521 CHEMBL579169::GNF-PF-1829 Beta-secretase 1 Homo sapiens 2990 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2836198 136960545 CHEMBL579169 ZINC02294904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196772 OC(CN(C(=O)c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H24N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1-18,23,31H,19-20H2 VECIERRNHRQJGV-UHFFFAOYSA-N 50356522 CHEMBL1909683 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399645 136960546 CHEMBL1909683 ZINC73140014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196773 OC(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H25ClN2O2/c30-23-16-14-21(15-17-23)18-31(29(34)22-8-2-1-3-9-22)19-24(33)20-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32/h1-17,24,33H,18-20H2 DKWGDRVXIFBVMZ-UHFFFAOYSA-N 50356516 CHEMBL1909696 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392703 136960540 CHEMBL1909696 ZINC73140284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196774 COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 InChI=1S/C29H26N2O3/c1-34-24-17-15-21(16-18-24)29(33)30(22-9-3-2-4-10-22)19-23(32)20-31-27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h2-18,23,32H,19-20H2,1H3 ZAYCQQGIBBCCGW-UHFFFAOYSA-N 50356524 CHEMBL1909685 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56935646 136960548 CHEMBL1909685 ZINC73140026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196775 OC(CN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H23ClN2O2/c29-21-16-14-20(15-17-21)28(33)30(22-8-2-1-3-9-22)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 HGRCJSALWSEGCY-UHFFFAOYSA-N 50356523 CHEMBL1909684 Beta-secretase 1 Homo sapiens 4700 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399646 136960547 CHEMBL1909684 ZINC73140019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196776 OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H24Cl2N2O2/c30-25-15-14-21(16-26(25)31)29(35)32(17-20-8-2-1-3-9-20)18-22(34)19-33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h1-16,22,34H,17-19H2 XZCIUWVNZISEMV-UHFFFAOYSA-N 50356534 CHEMBL1909695 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390903 136960558 CHEMBL1909695 ZINC73140610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196777 COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1 InChI=1S/C30H28N2O3/c1-35-25-17-15-22(16-18-25)19-31(30(34)23-9-3-2-4-10-23)20-24(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,24,33H,19-21H2,1H3 PXFOVLUPYXVYAH-UHFFFAOYSA-N 50356518 CHEMBL1909698 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397991 136960542 CHEMBL1909698 ZINC73138229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196778 OC(CN(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H23F3N2O2/c30-29(31,32)21-14-16-22(17-15-21)33(28(36)20-8-2-1-3-9-20)18-23(35)19-34-26-12-6-4-10-24(26)25-11-5-7-13-27(25)34/h1-17,23,35H,18-19H2 WRZWNGDNMKKPBC-UHFFFAOYSA-N 50356526 CHEMBL1909687 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396182 136960550 CHEMBL1909687 ZINC73140419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196779 Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1 InChI=1S/C30H28N2O2/c1-22-15-17-23(18-16-22)19-31(30(34)24-9-3-2-4-10-24)20-25(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,25,33H,19-21H2,1H3 ARRZZOCFOXLNCS-UHFFFAOYSA-N 50356517 CHEMBL1909697 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403151 136960541 CHEMBL1909697 ZINC73140615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196780 OC(CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H22Cl2N2O2/c29-24-15-14-19(16-25(24)30)28(34)31(20-8-2-1-3-9-20)17-21(33)18-32-26-12-6-4-10-22(26)23-11-5-7-13-27(23)32/h1-16,21,33H,17-18H2 RNXCAXMTOYHQBD-UHFFFAOYSA-N 50356525 CHEMBL1909686 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56935647 136960549 CHEMBL1909686 ZINC73140031 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196781 OC(CN(C1CCCCC1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H30N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1,3-4,7-12,15-18,22-23,31H,2,5-6,13-14,19-20H2 LLCAZQCQLFVRTL-UHFFFAOYSA-N 50356520 CHEMBL1909700 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403152 136960544 CHEMBL1909700 ZINC73138648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196782 OC(CN(C(=O)c1ccccc1)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H23ClN2O2/c29-21-14-16-22(17-15-21)30(28(33)20-8-2-1-3-9-20)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 FYULGPMPZOUQPJ-UHFFFAOYSA-N 50356528 CHEMBL1909689 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403150 136960552 CHEMBL1909689 ZINC73129982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196783 OC(CN(CCc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C30H28N2O2/c33-25(22-32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32)21-31(20-19-23-11-3-1-4-12-23)30(34)24-13-5-2-6-14-24/h1-18,25,33H,19-22H2 SAVNFICIQAMBBZ-UHFFFAOYSA-N 50356519 CHEMBL1909699 Beta-secretase 1 Homo sapiens 4800 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396183 136960543 CHEMBL1909699 ZINC73138235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196784 OC(CN(C(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H23N3O4/c32-23(19-30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30)18-29(28(33)20-8-2-1-3-9-20)21-14-16-22(17-15-21)31(34)35/h1-17,23,32H,18-19H2 NEQSBPZDCBNIIP-UHFFFAOYSA-N 50356527 CHEMBL1909688 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390900 136960551 CHEMBL1909688 ZINC73129976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196785 Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)C(=O)c1ccccc1 InChI=1S/C29H26N2O2/c1-21-15-17-23(18-16-21)30(29(33)22-9-3-2-4-10-22)19-24(32)20-31-27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h2-18,24,32H,19-20H2,1H3 HQLAXWUPSZVHQG-UHFFFAOYSA-N 50356530 CHEMBL1909691 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390901 136960554 CHEMBL1909691 ZINC73129991 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50196786 OC(CN(C(=O)c1ccccc1)c1ccc(F)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H23FN2O2/c29-21-14-16-22(17-15-21)30(28(33)20-8-2-1-3-9-20)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 PKJXVBZQRZMDIA-UHFFFAOYSA-N 50356529 CHEMBL1909690 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.09.064 10.7270/Q2ST7Q7H 21986588 Bertini, S; Asso, V; Ghilardi, E; Granchi, C; Manera, C; Minutolo, F; Saccomanni, G; Bortolato, A; Mason, J; Moro, S; Macchia, M Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50356529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50356529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399647 136960553 CHEMBL1909690 ZINC73129986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50202305 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C40H62N8O14/c1-19(2)14-26(45-38(59)27(18-30(42)50)46-39(60)33(20(3)4)48-36(57)24(41)17-32(53)54)29(49)15-21(5)34(55)43-22(6)35(56)44-25(12-13-31(51)52)37(58)47-28(40(61)62)16-23-10-8-7-9-11-23/h7-11,19-22,24-29,33,49H,12-18,41H2,1-6H3,(H2,42,50)(H,43,55)(H,44,56)(H,45,59)(H,46,60)(H,47,58)(H,48,57)(H,51,52)(H,53,54)(H,61,62)/t21-,22+,24+,25+,26+,27+,28+,29?,33+/m1/s1 PBMVKEBRLNKLLP-PZRHPGHSSA-N 50100439 4-[2-(5-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-methyl-butyrylamino]-3-carbamoyl-propionylamino}-4-hydroxy-2,7-dimethyl-octanoylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL66035 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm0004897 10.7270/Q27S7PGX 11405641 Wolfe, MS Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305353 103997209 CHEMBL66035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50202307 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C36H57N7O11/c1-18(2)14-24(41-34(51)25(17-28(37)45)42-35(52)30(38)19(3)4)27(44)15-20(5)31(48)39-21(6)32(49)40-23(12-13-29(46)47)33(50)43-26(36(53)54)16-22-10-8-7-9-11-22/h7-11,18-21,23-27,30,44H,12-17,38H2,1-6H3,(H2,37,45)(H,39,48)(H,40,49)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,53,54)/t20-,21+,23+,24+,25+,26+,27?,30+/m1/s1 QLXGCRQIMMFYJL-NFTVCYATSA-N 50100440 4-(2-{5-[2-(2-Amino-3-methyl-butyrylamino)-3-carbamoyl-propionylamino]-4-hydroxy-2,7-dimethyl-octanoylamino}-propionylamino)-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL418329 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1021/jm0004897 10.7270/Q27S7PGX 11405641 Wolfe, MS Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44305352 103997210 CHEMBL418329 ZINC95613652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199057 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm101568y 10.7270/Q20C4W7T 21452857 Sussman, F; Otero, JM; Villaverde, MC; Castro, M; Dominguez, JL; Gonzalez-Louro, L; Estevez, RJ; Estevez, JC Universidad de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199058 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 OTAKXFOXYSLTCG-KNSFHFJMSA-N 16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1021/jm101568y 10.7270/Q20C4W7T 21452857 Sussman, F; Otero, JM; Villaverde, MC; Castro, M; Dominguez, JL; Gonzalez-Louro, L; Estevez, RJ; Estevez, JC Universidad de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212352 46516094 CHEMBL290001 ZINC26176801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199060 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H68N8O14/c1-21(2)17-29(48-41(62)30(20-33(45)53)49-42(63)36(23(5)6)51-39(60)27(44)13-15-34(54)55)32(52)19-26(22(3)4)38(59)46-24(7)37(58)47-28(14-16-35(56)57)40(61)50-31(43(64)65)18-25-11-9-8-10-12-25/h8-12,21-24,26-32,36,52H,13-20,44H2,1-7H3,(H2,45,53)(H,46,59)(H,47,58)(H,48,62)(H,49,63)(H,50,61)(H,51,60)(H,54,55)(H,56,57)(H,64,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 AQVQJKSMBFXSEE-PFCVTPPASA-N 50360214 CHEMBL1927636 Beta-secretase 1 Homo sapiens 165 ChEMBL 10.1021/jm101568y 10.7270/Q20C4W7T 21452857 Sussman, F; Otero, JM; Villaverde, MC; Castro, M; Dominguez, JL; Gonzalez-Louro, L; Estevez, RJ; Estevez, JC Universidad de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401070 136964276 CHEMBL1927636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199061 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H66N8O14/c1-7-22(4)35(50-38(59)26(43)13-15-32(44)52)41(62)48-29(20-34(55)56)40(61)47-28(17-21(2)3)31(51)18-23(5)36(57)45-24(6)37(58)46-27(14-16-33(53)54)39(60)49-30(42(63)64)19-25-11-9-8-10-12-25/h8-12,21-24,26-31,35,51H,7,13-20,43H2,1-6H3,(H2,44,52)(H,45,57)(H,46,58)(H,47,61)(H,48,62)(H,49,60)(H,50,59)(H,53,54)(H,55,56)(H,63,64)/t22-,23+,24-,26-,27-,28-,29-,30-,31-,35-/m0/s1 JYVHQPIREXPYAA-QPLJTPAUSA-N 50360215 CHEMBL1927635 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1021/jm101568y 10.7270/Q20C4W7T 21452857 Sussman, F; Otero, JM; Villaverde, MC; Castro, M; Dominguez, JL; Gonzalez-Louro, L; Estevez, RJ; Estevez, JC Universidad de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52951738 136964277 CHEMBL1927635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199063 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1 CFIWWTUUSMMDDA-IQRKPKHNSA-N 50210579 (2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benzyl-5-(2-carboxyethyl)-17-(carboxymethyl)-13-hydroxy-14,20-diisobutyl-8-isopropyl-11-methyl-4,7,10,16,19,22-hexaoxo-3,6,9,15,18,21-hexaazahexacosane-1,26-dioic acid::CHEMBL390456::OM00-3 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/jm101568y 10.7270/Q20C4W7T 21452857 Sussman, F; Otero, JM; Villaverde, MC; Castro, M; Dominguez, JL; Gonzalez-Louro, L; Estevez, RJ; Estevez, JC Universidad de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 447068 104087082 CHEMBL390456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199065 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C29H47N5O7/c1-17(2)13-21(33-27(39)22(15-24(30)36)34-28(40)41-29(5,6)7)23(35)14-18(3)25(37)32-19(4)26(38)31-16-20-11-9-8-10-12-20/h8-12,17-19,21-23,35H,13-16H2,1-7H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,39)(H,34,40)/t18-,19+,21+,22+,23+/m1/s1 MOALZWBFKAHSKG-RNTGTLJKSA-N 16773 Substrate-based BACE-1 inhibitor, 12::tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)ethyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-carbamoylethyl]carbamate Beta-secretase 1 Homo sapiens 22423 ChEMBL 10.1021/jm101568y 10.7270/Q20C4W7T 21452857 Sussman, F; Otero, JM; Villaverde, MC; Castro, M; Dominguez, JL; Gonzalez-Louro, L; Estevez, RJ; Estevez, JC Universidad de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11028241 46509526 ZINC14962149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199275 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 InChI=1S/C28H29BrN2O/c29-26-14-8-7-13-23(26)24-18-30-19-25(24)28(32)31-16-15-22(20-9-3-1-4-10-20)17-27(31)21-11-5-2-6-12-21/h1-14,22,24-25,27,30H,15-19H2/t22-,24+,25-,27+/m1/s1 OEHSQMKCKVJVJJ-AWTIUKJOSA-N 50360717 CHEMBL1934289 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57398014 136964779 CHEMBL1934289 ZINC73219491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199276 O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C22H26N2O/c25-22(21-16-23-15-20(21)19-9-5-2-6-10-19)24-13-11-18(12-14-24)17-7-3-1-4-8-17/h1-10,18,20-21,23H,11-16H2/t20-,21+/m0/s1 GWNMKQNNLDJEDC-LEWJYISDSA-N 50360718 CHEMBL1934290 Beta-secretase 1 Homo sapiens 19000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396217 136964780 CHEMBL1934290 ZINC73219494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199277 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCCCC1c1ccccc1 InChI=1S/C22H25BrN2O/c23-20-11-5-4-10-17(20)18-14-24-15-19(18)22(26)25-13-7-6-12-21(25)16-8-2-1-3-9-16/h1-5,8-11,18-19,21,24H,6-7,12-15H2/t18-,19+,21?/m0/s1 RZEULNVMLJPCDM-KTVLMBSMSA-N 50360715 CHEMBL1934287 Beta-secretase 1 Homo sapiens 57000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394453 136964777 CHEMBL1934287 ZINC82158072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199278 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCC(CC1)c1ccccc1 InChI=1S/C22H25BrN2O/c23-21-9-5-4-8-18(21)19-14-24-15-20(19)22(26)25-12-10-17(11-13-25)16-6-2-1-3-7-16/h1-9,17,19-20,24H,10-15H2/t19-,20+/m0/s1 LNBSMZJNSGKBLJ-VQTJNVASSA-N 50360716 CHEMBL1934288 Beta-secretase 1 Homo sapiens 19000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42644642 136964778 CHEMBL1934288 ZINC82158073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199279 O=C([C@@H]1CNC[C@]11CCCc2ccccc12)N1CCC(CC1)c1ccccc1 InChI=1S/C25H30N2O/c28-24(27-15-12-20(13-16-27)19-7-2-1-3-8-19)23-17-26-18-25(23)14-6-10-21-9-4-5-11-22(21)25/h1-5,7-9,11,20,23,26H,6,10,12-18H2/t23-,25-/m0/s1 FZLFVGHMYNWCLJ-ZCYQVOJMSA-N 50360719 CHEMBL1934291 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46893204 136964781 CHEMBL1934291 ZINC73219497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199280 O=C([C@@H]1CNC[C@]11CCCc2ccccc12)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 InChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1 MXPUWFOJTXJTTA-RNWXARPHSA-N 50360720 CHEMBL1934292 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 508 3UFL 54765328 136964782 CHEMBL1934292 ZINC73220343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199281 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 InChI=1S/C30H38ClN3O/c31-28-14-13-24-26(33-28)12-7-16-30(24)20-32-19-25(30)29(35)34-17-15-23(21-8-3-1-4-9-21)18-27(34)22-10-5-2-6-11-22/h1,3-4,8-9,13-14,22-23,25,27,32H,2,5-7,10-12,15-20H2/t23-,25+,27+,30+/m1/s1 BVBQXGDSJPQNKF-PCUPTAKISA-N 50360723 CHEMBL1934295 Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834949 136964785 CHEMBL1934295 ZINC73221381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199282 Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2c2ccccc2)c2ccccc2)c1 InChI=1S/C31H33BrN2O/c32-26-13-14-27-25(18-26)12-7-16-31(27)21-33-20-28(31)30(35)34-17-15-24(22-8-3-1-4-9-22)19-29(34)23-10-5-2-6-11-23/h1-6,8-11,13-14,18,24,28-29,33H,7,12,15-17,19-21H2/t24-,28+,29+,31+/m1/s1 GPDVLPBTNJAQJQ-IAYSKZJSSA-N 50360721 CHEMBL1934293 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403177 136964783 CHEMBL1934293 ZINC73221376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199283 Cc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 InChI=1S/C31H41N3O/c1-22-14-15-26-28(33-22)13-8-17-31(26)21-32-20-27(31)30(35)34-18-16-25(23-9-4-2-5-10-23)19-29(34)24-11-6-3-7-12-24/h2,4-5,9-10,14-15,24-25,27,29,32H,3,6-8,11-13,16-21H2,1H3/t25-,27+,29+,31+/m1/s1 MIMTYWSHVJRVLA-NYWOQPEYSA-N 50360724 CHEMBL1934296 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834950 136964786 CHEMBL1934296 ZINC73221384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199284 Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)c1 InChI=1S/C31H39BrN2O/c32-26-13-14-27-25(18-26)12-7-16-31(27)21-33-20-28(31)30(35)34-17-15-24(22-8-3-1-4-9-22)19-29(34)23-10-5-2-6-11-23/h1,3-4,8-9,13-14,18,23-24,28-29,33H,2,5-7,10-12,15-17,19-21H2/t24-,28+,29+,31+/m1/s1 UGWJTMBLTCCLLX-IAYSKZJSSA-N 50360722 CHEMBL1934294 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834948 136964784 CHEMBL1934294 ZINC73221379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199285 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 InChI=1S/C21H23BrN2O2/c22-19-9-5-4-8-16(19)17-12-23-13-18(17)21(25)24-10-11-26-14-20(24)15-6-2-1-3-7-15/h1-9,17-18,20,23H,10-14H2/t17-,18+,20+/m0/s1 RTUJSVVWMUMAOB-NLWGTHIKSA-N 50360713 CHEMBL1934285 Beta-secretase 1 Homo sapiens 47000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42646800 136964775 CHEMBL1934285 ZINC73224900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199286 Cc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 InChI=1S/C31H41N3O/c1-22-14-15-26-28(33-22)13-8-17-31(26)21-32-20-27(31)30(35)34-18-16-25(23-9-4-2-5-10-23)19-29(34)24-11-6-3-7-12-24/h2,4-5,9-10,14-15,24-25,27,29,32H,3,6-8,11-13,16-21H2,1H3/t25-,27+,29+,31+/m1/s1 MIMTYWSHVJRVLA-NYWOQPEYSA-N 50360724 CHEMBL1934296 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834950 136964786 CHEMBL1934296 ZINC73221384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199287 CS(=O)(=O)c1ccc(cc1)-c1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 InChI=1S/C28H30N2O4S/c1-35(32,33)22-13-11-20(12-14-22)23-9-5-6-10-24(23)25-17-29-18-26(25)28(31)30-15-16-34-19-27(30)21-7-3-2-4-8-21/h2-14,25-27,29H,15-19H2,1H3/t25-,26+,27+/m0/s1 BNJLRVQSIIJBQY-OYUWMTPXSA-N 50360714 CHEMBL1934286 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42643933 136964776 CHEMBL1934286 ZINC82158070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199288 Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)c1 InChI=1S/C31H39BrN2O/c32-26-13-14-27-25(18-26)12-7-16-31(27)21-33-20-28(31)30(35)34-17-15-24(22-8-3-1-4-9-22)19-29(34)23-10-5-2-6-11-23/h1,3-4,8-9,13-14,18,23-24,28-29,33H,2,5-7,10-12,15-17,19-21H2/t24-,28+,29+,31+/m1/s1 UGWJTMBLTCCLLX-IAYSKZJSSA-N 50360722 CHEMBL1934294 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834948 136964784 CHEMBL1934294 ZINC73221379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199289 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 InChI=1S/C30H38ClN3O/c31-28-14-13-24-26(33-28)12-7-16-30(24)20-32-19-25(30)29(35)34-17-15-23(21-8-3-1-4-9-21)18-27(34)22-10-5-2-6-11-22/h1,3-4,8-9,13-14,22-23,25,27,32H,2,5-7,10-12,15-20H2/t23-,25+,27+,30+/m1/s1 BVBQXGDSJPQNKF-PCUPTAKISA-N 50360723 CHEMBL1934295 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834949 136964785 CHEMBL1934295 ZINC73221381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199290 O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1 InChI=1S/C22H26N2O2/c25-22(21-15-23-14-20(21)18-9-5-2-6-10-18)24-11-12-26-16-19(24)13-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2/t19-,20+,21-/m1/s1 XYNUWIKQRZQEBQ-QHAWAJNXSA-N 50360712 CHEMBL1934284 Beta-secretase 1 Homo sapiens 240000 ChEMBL 10.1016/j.bmcl.2011.11.024 10.7270/Q2QR4XJK 22130130 Stachel, SJ; Steele, TG; Petrocchi, A; Haugabook, SJ; McGaughey, G; Katharine Holloway, M; Allison, T; Munshi, S; Zuck, P; Colussi, D; Tugasheva, K; Wolfe, A; Graham, SL; Vacca, JP Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396216 136964774 CHEMBL1934284 ZINC73224671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199395 Nc1nc(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cn1Cc1cc(F)cc(F)c1 InChI=1S/C24H18F5N3/c25-20-9-16(10-21(26)12-20)13-32-14-22(31-23(32)30)11-15-1-3-17(4-2-15)18-5-7-19(8-6-18)24(27,28)29/h1-10,12,14H,11,13H2,(H2,30,31) PFPJTKZZKNKFFS-UHFFFAOYSA-N 50361334 CHEMBL1933457 Beta-secretase 1 Homo sapiens 5590 ChEMBL 10.1016/j.ejmech.2011.12.016 10.7270/Q2TB17B8 22209418 Chiriano, G; De Simone, A; Mancini, F; Perez, DI; Cavalli, A; Bolognesi, ML; Legname, G; Martinez, A; Andrisano, V; Carloni, P; Roberti, M Statistical and Biological Physics Sector, SISSA-ISAS, Via Bonomea 265, 34136 Trieste, Italy. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57327997 136965396 CHEMBL1933457 ZINC73224619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199396 COc1cc(OC)cc(c1)-c1ccc(Cc2cn(Cc3ccc(F)cc3)c(N)n2)cc1 InChI=1S/C25H24FN3O2/c1-30-23-12-20(13-24(14-23)31-2)19-7-3-17(4-8-19)11-22-16-29(25(27)28-22)15-18-5-9-21(26)10-6-18/h3-10,12-14,16H,11,15H2,1-2H3,(H2,27,28) JBPCZABGSAXGTF-UHFFFAOYSA-N 50361336 CHEMBL1933455 Beta-secretase 1 Homo sapiens 7400 ChEMBL 10.1016/j.ejmech.2011.12.016 10.7270/Q2TB17B8 22209418 Chiriano, G; De Simone, A; Mancini, F; Perez, DI; Cavalli, A; Bolognesi, ML; Legname, G; Martinez, A; Andrisano, V; Carloni, P; Roberti, M Statistical and Biological Physics Sector, SISSA-ISAS, Via Bonomea 265, 34136 Trieste, Italy. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57327926 136965398 CHEMBL1933455 ZINC73219331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199397 COc1cc(OC)cc(c1)-c1ccc(Cc2cn(Cc3cc(F)cc(F)c3)c(N)n2)cc1 InChI=1S/C25H23F2N3O2/c1-31-23-10-19(11-24(13-23)32-2)18-5-3-16(4-6-18)9-22-15-30(25(28)29-22)14-17-7-20(26)12-21(27)8-17/h3-8,10-13,15H,9,14H2,1-2H3,(H2,28,29) ORBISPNVMHCAMB-UHFFFAOYSA-N 50361335 CHEMBL1933456 Beta-secretase 1 Homo sapiens 7320 ChEMBL 10.1016/j.ejmech.2011.12.016 10.7270/Q2TB17B8 22209418 Chiriano, G; De Simone, A; Mancini, F; Perez, DI; Cavalli, A; Bolognesi, ML; Legname, G; Martinez, A; Andrisano, V; Carloni, P; Roberti, M Statistical and Biological Physics Sector, SISSA-ISAS, Via Bonomea 265, 34136 Trieste, Italy. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57327927 136965397 CHEMBL1933456 ZINC82157907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199398 Nc1nc(Cc2ccc(cc2)-c2cccc3oc4ccccc4c23)cn1Cc1ccccc1Cl InChI=1S/C29H22ClN3O/c30-25-9-3-1-6-21(25)17-33-18-22(32-29(33)31)16-19-12-14-20(15-13-19)23-8-5-11-27-28(23)24-7-2-4-10-26(24)34-27/h1-15,18H,16-17H2,(H2,31,32) QCDSOJKTGGQUQP-UHFFFAOYSA-N 50361333 CHEMBL1933459 Beta-secretase 1 Homo sapiens 5950 ChEMBL 10.1016/j.ejmech.2011.12.016 10.7270/Q2TB17B8 22209418 Chiriano, G; De Simone, A; Mancini, F; Perez, DI; Cavalli, A; Bolognesi, ML; Legname, G; Martinez, A; Andrisano, V; Carloni, P; Roberti, M Statistical and Biological Physics Sector, SISSA-ISAS, Via Bonomea 265, 34136 Trieste, Italy. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57327999 136965395 CHEMBL1933459 ZINC73224980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199399 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.ejmech.2011.12.016 10.7270/Q2TB17B8 22209418 Chiriano, G; De Simone, A; Mancini, F; Perez, DI; Cavalli, A; Bolognesi, ML; Legname, G; Martinez, A; Andrisano, V; Carloni, P; Roberti, M Statistical and Biological Physics Sector, SISSA-ISAS, Via Bonomea 265, 34136 Trieste, Italy. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199400 CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ DBMJZOMNXBSRED-OQLLNIDSSA-N 50310823 CHEMBL1078442::bergamottin Beta-secretase 1 Homo sapiens 32200 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HJJ 6DWM 5471349 104145184 70476 CHEMBL1078442 ZINC01658570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199401 CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 QUVCQYQEIOLHFZ-UHFFFAOYSA-N 50361397 CHEMBL71358 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68229 136965459 69040 CHEMBL71358 C09312 ZINC00265504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199402 CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ DBMJZOMNXBSRED-OQLLNIDSSA-N 50310823 CHEMBL1078442::bergamottin Beta-secretase 1 Homo sapiens 34800 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HJJ 6DWM 5471349 104145184 70476 CHEMBL1078442 ZINC01658570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199403 CC(C)=CCC\C(C)=C\COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ SOVNCTNQAWWYAQ-OQLLNIDSSA-N 50361381 CHEMBL1412710 Beta-secretase 1 Homo sapiens 61900 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5317564 136965443 CHEMBL1412710 ZINC02529828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199404 Oc1cc2ccc(=O)oc2cc1O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N 34571 6,7-bis(oxidanyl)chromen-2-one::6,7-dihydroxy-1-benzopyran-2-one::6,7-dihydroxychromen-2-one::CHEMBL244743::MLS000069479::SMR000059055::cid_5281416::esculetin Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HFC 7DQI 5281416 252617224 490095 CHEMBL244743 5180 C09263 ZINC00057908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199405 COc1c2ccoc2c(OC)c2oc(=O)ccc12 InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 DFMAXQKDIGCMTL-UHFFFAOYSA-N 50361386 ISOPIMPINELLIN Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68079 136965448 28853 C02162 ZINC00314951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199406 COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1 PKRPFNXROFUNDE-LLVKDONJSA-N 50361390 BYAKANGELICIN Beta-secretase 1 Homo sapiens 55000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10211 136965452 C09141 ZINC00898098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199407 CC(C)=CCOc1ccc2ccc(=O)oc2c1 InChI=1S/C14H14O3/c1-10(2)7-8-16-12-5-3-11-4-6-14(15)17-13(11)9-12/h3-7,9H,8H2,1-2H3 SMHJTSOVVRGDEO-UHFFFAOYSA-N 50361372 CHEMBL156692 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 320362 136965434 CHEMBL156692 ZINC00388776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199408 COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1 PKRPFNXROFUNDE-LLVKDONJSA-N 50361390 BYAKANGELICIN Beta-secretase 1 Homo sapiens 219700 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10211 136965452 C09141 ZINC00898098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199409 CC(C)=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1 CUKSFECWKQBVED-INIZCTEOSA-N 50361396 (S)-(+)-Decursin::DECURSIN Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 442126 136965458 C09258 ZINC04097976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199410 CC(C)=CCC\C(C)=C\COc1ccc2ccc(=O)oc2c1 InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+ RSDDHGSKLOSQFK-RVDMUPIBSA-N 50361373 AURAPTENE Beta-secretase 1 Homo sapiens 345100 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1550607 136965435 ZINC01658901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199411 CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1O InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1 BGXFQDFSVDZUIW-LBPRGKRZSA-N 50259817 CHEMBL481657::decursinol Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 442127 104109895 4354 CHEMBL481657 C09259 ZINC01026053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199412 COc1c2occc2c(OC\C=C(/C)CCC=C(C)C)c2ccc(=O)oc12 InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ OQHQALGVQDTJDN-XNTDXEJSSA-N 50361388 CHEMBL1934195 Beta-secretase 1 Homo sapiens 13700 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6440422 136965450 CHEMBL1934195 ZINC05158591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199413 Oc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H GIJHDGJRTUSBJR-UHFFFAOYSA-N 50209569 4-hydroxy-7H-furo[3,2-g]chromen-7-one::CHEMBL242711::bergaptol Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8B6 5XOH 5280371 104086357 17377 CHEMBL242711 C00758 ZINC05842977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199414 CC(C)=CCC\C(C)=C\COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ SOVNCTNQAWWYAQ-OQLLNIDSSA-N 50361381 CHEMBL1412710 Beta-secretase 1 Homo sapiens 20400 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5317564 136965443 CHEMBL1412710 ZINC02529828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199415 COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 QXKHYNVANLEOEG-UHFFFAOYSA-N 50041234 6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone::8-MP::8-methoxy-2',3',6,7-furocoumarin::8-methoxy-4',5':6,7-furocoumarin::8-methoxy-[furano-3'.2':6.7-coumarin]::8-methoxypsoralen::9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one::9-methoxy-7H-furo[3,2-g]chromen-7-one::CHEMBL416::METHOXSALEN::xanthotoxin Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8MO 1Z11 4114 103973037 18358 CHEMBL416 DB00553 C01864 ZINC02548959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199416 COc1cc2oc(=O)ccc2cc1CC=C(C)C InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3 RSZDAYHEZSRVHS-UHFFFAOYSA-N 50361375 CHEMBL1928409 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68486 136965437 69041 CHEMBL1928409 ZINC01664037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199417 CC(C)=CCOc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12 InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3 HJMDOAWWVCOEDW-UHFFFAOYSA-N 50361392 CHEMBL1710181 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10043694 136965454 CHEMBL1710181 ZINC13323006 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199418 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 CQTBDEGWLSDJEP-JMAXQNTPSA-N 50100436 CHEMBL412768::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149643 103997206 CHEMBL412768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199419 CC(C)=CCOc1c2occc2cc2ccc(=O)oc12 InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 OLOOJGVNMBJLLR-UHFFFAOYSA-N 50308719 (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one)::CHEMBL453805::Imperatorin Beta-secretase 1 Homo sapiens 91800 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10212 104163080 5885 CHEMBL453805 C09269 ZINC00001904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199420 COc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12 InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3 BMLZFLQMBMYVHG-UHFFFAOYSA-N 81058 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone::4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one::MLS000574895::SMR000156210::cid_98608 Beta-secretase 1 Homo sapiens 1432000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 98608 252657673 C17047 ZINC01559986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199421 CC(C)=CCC\C(C)=C\COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ SOVNCTNQAWWYAQ-OQLLNIDSSA-N 50361381 CHEMBL1412710 Beta-secretase 1 Homo sapiens 61600 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5317564 136965443 CHEMBL1412710 ZINC02529828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199422 C\C=C(/C)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1 AGABNGOXUSXQDD-WQRDJFRPSA-N 50361395 CHEMBL1631595 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 776121 136965457 CHEMBL1631595 ZINC00265471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199423 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 QOTBQNVNUBKJMS-UHFFFAOYSA-N 50292575 8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one::CHEMBL303846::XANTHYLETIN::cid_65188 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65188 104134126 CHEMBL303846 C09317 ZINC00338304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199424 O=c1ccc2ccccc2o1 InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H ZYGHJZDHTFUPRJ-UHFFFAOYSA-N 12342 2H-chromen-2-one::CHEMBL6466::Coumarin Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=12342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=12342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search COU 2PMJ,2H90,3L5M,3L68,3L66,3CRB,1Z10,4UTI,4UTL,2PWB 323 172097204 28794 CHEMBL6466 DB04665 C05851 ZINC00074709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199425 COc1cc2ccc(=O)oc2cc1OC InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 GUAFOGOEJLSQBT-UHFFFAOYSA-N 50361374 SCOPARONE Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8417 136965436 C09311 ZINC00002067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199426 COc1c2ccoc2c(OC\C=C(/C)CCC=C(C)C)c2oc(=O)ccc12 InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ CTPXXQMJFXTTQZ-XNTDXEJSSA-N 50361391 CHEMBL1934197 Beta-secretase 1 Homo sapiens 11100 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6442182 136965453 CHEMBL1934197 ZINC05158590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199427 CC1(C)CCc2cc3ccc(=O)oc3cc2O1 InChI=1S/C14H14O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-4,7-8H,5-6H2,1-2H3 OHVLVQZSSLHFMS-UHFFFAOYSA-N 50361394 CHEMBL1934198 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10466390 136965456 CHEMBL1934198 ZINC14885096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199428 Oc1c2occc2cc2ccc(=O)oc12 InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H JWVYQQGERKEAHW-UHFFFAOYSA-N 50361378 XANTHOTOXOL Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65090 136965440 15709 C00841 ZINC00895404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199429 COc1c2occc2c(OC\C=C(/C)CCC=C(C)C)c2ccc(=O)oc12 InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ OQHQALGVQDTJDN-XNTDXEJSSA-N 50361388 CHEMBL1934195 Beta-secretase 1 Homo sapiens 102700 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6440422 136965450 CHEMBL1934195 ZINC05158591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199430 COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 BGEBZHIAGXMEMV-UHFFFAOYSA-N 50067880 4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one::4-methoxy-7H-furo[3,2-g]chromen-7-one::5-methoxypsoralen::5-methoxypsoralene::Bergaptene::CHEMBL24171::Heraclin::Majudin Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2355 103962306 18293 CHEMBL24171 C01557 ZINC00057731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199431 COc1ccc2ccc(=O)oc2c1 InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 LIIALPBMIOVAHH-UHFFFAOYSA-N 50303499 7-(methyloxy)-2H-chromen-2-one::7-Methoxycoumarin::7-methoxy-2H-1-benzopyran-2-one::Ayapanin::CHEMBL49732::Herniarin::Herniarine::Methylumbelliferone Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EBF 6JF0 10748 104157860 5679 CHEMBL49732 C09268 ZINC00391177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199432 CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1 FWYSBEAFFPBAQU-LBPRGKRZSA-N 50250917 (+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one::(+)-marmesin::(2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one::(7S)-marmesin::(S)-(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one::(S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one::(S)-marmesin::CHEMBL442813::Marmesin::S-(+)-marmesin Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 334704 104104309 49080 CHEMBL442813 C09276 ZINC00051924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199433 CC1(C)O[C@@H]1COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1 CTJZWFCPUDPLME-LLVKDONJSA-N 50361379 HERACLENIN Beta-secretase 1 Homo sapiens 443600 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 458010 136965441 ZINC00518797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199434 CC(C)=CCc1c(O)ccc2ccc(=O)oc12 InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3 RAKJVIPCCGXHHS-UHFFFAOYSA-N 50240868 7-Hydroxy-8-(3-methyl-but-2-enyl)-chromen-2-one::CHEMBL350475::OSTHENOL Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5320318 104098483 CHEMBL350475 C18080 ZINC01618130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197250 CCC(C)[C@@]1(N)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O InChI=1S/C38H58N4O4/c1-6-29(5)38(39)22-24-42(37(38)46)33(21-20-31-17-11-8-12-18-31)36(45)41-32(25-27(2)3)34(43)26-28(4)35(44)40-23-14-13-19-30-15-9-7-10-16-30/h7-12,15-18,27-29,32-34,43H,6,13-14,19-26,39H2,1-5H3,(H,40,44)(H,41,45)/t28-,29?,32+,33+,34+,38+/m1/s1 GDLPSXPOCXMLPO-JPKXKAQOSA-N 50357471 CHEMBL1917901 Beta-secretase 1 Homo sapiens 141 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400927 136961495 CHEMBL1917901 ZINC73196272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197251 CCC(C)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc1ccccc1 InChI=1S/C36H56N4O4/c1-6-26(4)33(37)36(44)39-30(21-20-29-17-11-8-12-18-29)35(43)40-31(23-25(2)3)32(41)24-27(5)34(42)38-22-14-13-19-28-15-9-7-10-16-28/h7-12,15-18,25-27,30-33,41H,6,13-14,19-24,37H2,1-5H3,(H,38,42)(H,39,44)(H,40,43)/t26?,27-,30+,31+,32+,33+/m1/s1 DWRYETHHZGVOSM-DHPRLOPOSA-N 50357470 CHEMBL1917900 Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57393960 136961494 CHEMBL1917900 ZINC73196270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197252 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-4-24(2)38(43-25(3)45)16-17-44(37(38)48)34(15-14-26-10-6-5-7-11-26)36(47)42-33(20-27-18-30(39)22-31(40)19-27)35(46)32-21-28-12-8-9-13-29(28)23-41-32/h5-13,18-19,22,24,32-35,41,46H,4,14-17,20-21,23H2,1-3H3,(H,42,47)(H,43,45)/t24?,32?,33-,34-,35+,38-/m0/s1 XLKDNRYXYLCLKU-BVSVGFMESA-N 50357472 CHEMBL1917903 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397485 136961496 CHEMBL1917903 ZINC82137949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197253 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-24(2)22-38(43-25(3)45)15-16-44(37(38)48)34(14-13-26-9-5-4-6-10-26)36(47)42-33(19-27-17-30(39)21-31(40)18-27)35(46)32-20-28-11-7-8-12-29(28)23-41-32/h4-12,17-18,21,24,32-35,41,46H,13-16,19-20,22-23H2,1-3H3,(H,42,47)(H,43,45)/t32?,33-,34-,35+,38-/m0/s1 JJJDOYFRIVNWHV-RNAVXUIWSA-N 50357474 CHEMBL1917905 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397486 136961498 CHEMBL1917905 ZINC82190378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197254 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-4-24(2)38(43-25(3)45)16-17-44(37(38)48)34(15-14-26-10-6-5-7-11-26)36(47)42-33(20-27-18-30(39)22-31(40)19-27)35(46)32-21-28-12-8-9-13-29(28)23-41-32/h5-13,18-19,22,24,32-35,41,46H,4,14-17,20-21,23H2,1-3H3,(H,42,47)(H,43,45)/t24?,32-,33-,34-,35+,38-/m0/s1 XLKDNRYXYLCLKU-ASGHGHPPSA-N 50357473 CHEMBL1917904 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400928 136961497 CHEMBL1917904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197255 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O InChI=1S/C38H50N4O5/c1-5-27(2)38(41-28(3)43)21-22-42(37(38)46)34(20-19-29-13-8-6-9-14-29)36(45)40-33(24-30-15-10-7-11-16-30)35(44)26-39-25-31-17-12-18-32(23-31)47-4/h6-18,23,27,33-35,39,44H,5,19-22,24-26H2,1-4H3,(H,40,45)(H,41,43)/t27?,33-,34-,35+,38-/m0/s1 SMPAHDBHYSCFQF-MELYXSMSSA-N 50357488 CHEMBL1917902 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397484 136961512 CHEMBL1917902 ZINC73161310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197256 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32?,33-,34-,36+,39-/m0/s1 PBXQNTXVQOUXNO-ROKYFZDPSA-N 50357476 CHEMBL1917907 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997668 136961500 CHEMBL1917907 ZINC82139836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197257 CCCOc1cccc2CC(NCc12)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C41H52F2N4O5/c1-5-19-52-37-14-10-13-30-23-34(44-25-33(30)37)38(49)35(22-29-20-31(42)24-32(43)21-29)45-39(50)36(16-15-28-11-8-7-9-12-28)47-18-17-41(40(47)51,26(3)6-2)46-27(4)48/h7-14,20-21,24,26,34-36,38,44,49H,5-6,15-19,22-23,25H2,1-4H3,(H,45,50)(H,46,48)/t26?,34?,35-,36-,38+,41-/m0/s1 UNHYCLXMUBLSOA-KHNBBTAHSA-N 50357475 CHEMBL1917906 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397487 136961499 CHEMBL1917906 ZINC82139821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197258 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-4-24(2)38(43-25(3)45)16-17-44(37(38)48)34(15-14-26-10-6-5-7-11-26)36(47)42-33(20-27-18-30(39)22-31(40)19-27)35(46)32-21-28-12-8-9-13-29(28)23-41-32/h5-13,18-19,22,24,32-35,41,46H,4,14-17,20-21,23H2,1-3H3,(H,42,47)(H,43,45)/t24?,32?,33-,34-,35+,38-/m0/s1 XLKDNRYXYLCLKU-BVSVGFMESA-N 50357472 CHEMBL1917903 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397485 136961496 CHEMBL1917903 ZINC82137949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197259 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-24(2)22-38(43-25(3)45)15-16-44(37(38)48)34(14-13-26-9-5-4-6-10-26)36(47)42-33(19-27-17-30(39)21-31(40)18-27)35(46)32-20-28-11-7-8-12-29(28)23-41-32/h4-12,17-18,21,24,32-35,41,46H,13-16,19-20,22-23H2,1-3H3,(H,42,47)(H,43,45)/t32?,33-,34-,35+,38-/m0/s1 JJJDOYFRIVNWHV-RNAVXUIWSA-N 50357474 CHEMBL1917905 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397486 136961498 CHEMBL1917905 ZINC82190378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197260 CCCOc1cccc2CC(NCc12)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C41H52F2N4O5/c1-5-19-52-37-14-10-13-30-23-34(44-25-33(30)37)38(49)35(22-29-20-31(42)24-32(43)21-29)45-39(50)36(16-15-28-11-8-7-9-12-28)47-18-17-41(40(47)51,26(3)6-2)46-27(4)48/h7-14,20-21,24,26,34-36,38,44,49H,5-6,15-19,22-23,25H2,1-4H3,(H,45,50)(H,46,48)/t26?,34?,35-,36-,38+,41-/m0/s1 UNHYCLXMUBLSOA-KHNBBTAHSA-N 50357475 CHEMBL1917906 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397487 136961499 CHEMBL1917906 ZINC82139821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197261 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197262 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O InChI=1S/C38H48F2N4O5/c1-5-25(2)38(43-26(3)45)16-17-44(37(38)48)34(15-14-27-10-7-6-8-11-27)36(47)42-33(21-29-18-30(39)22-31(40)19-29)35(46)24-41-23-28-12-9-13-32(20-28)49-4/h6-13,18-20,22,25,33-35,41,46H,5,14-17,21,23-24H2,1-4H3,(H,42,47)(H,43,45)/t25?,33-,34-,35+,38-/m0/s1 RCAZOLSIRITUKZ-VHVJLOLGSA-N 50357489 CHEMBL1914472 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9917907 136961513 CHEMBL1914472 ZINC82138107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197263 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O InChI=1S/C38H48F2N4O5/c1-5-25(2)38(43-26(3)45)16-17-44(37(38)48)34(15-14-27-10-7-6-8-11-27)36(47)42-33(21-29-18-30(39)22-31(40)19-29)35(46)24-41-23-28-12-9-13-32(20-28)49-4/h6-13,18-20,22,25,33-35,41,46H,5,14-17,21,23-24H2,1-4H3,(H,42,47)(H,43,45)/t25?,33-,34-,35+,38-/m0/s1 RCAZOLSIRITUKZ-VHVJLOLGSA-N 50357489 CHEMBL1914472 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9917907 136961513 CHEMBL1914472 ZINC82138107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197264 CCCCN(C)C(=O)n1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)c2cccnc12 InChI=1S/C32H35F2N5O3/c1-3-4-12-38(2)32(42)39-19-26(25-10-7-11-35-30(25)39)31(41)37-28(15-20-13-23(33)17-24(34)14-20)29(40)27-16-21-8-5-6-9-22(21)18-36-27/h5-11,13-14,17,19,27-29,36,40H,3-4,12,15-16,18H2,1-2H3,(H,37,41)/t27-,28+,29-/m1/s1 FYMFLFJIGGNMRC-SSBOKUKZSA-N 50357485 CHEMBL1917911 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400930 136961509 CHEMBL1917911 ZINC73169131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197265 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O InChI=1S/C36H43F2N3O3/c1-2-3-11-26-16-17-41(36(26)44)33(15-14-24-9-5-4-6-10-24)35(43)40-32(20-25-18-29(37)22-30(38)19-25)34(42)31-21-27-12-7-8-13-28(27)23-39-31/h4-10,12-13,18-19,22,26,31-34,39,42H,2-3,11,14-17,20-21,23H2,1H3,(H,40,43)/t26-,31+,32-,33-,34+/m0/s1 GUUJUIXBOCRPLX-ZKZCUZKLSA-N 50357486 CHEMBL1915987 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997367 136961510 CHEMBL1915987 ZINC73157008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197266 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O InChI=1S/C29H37F2N3O3/c1-3-4-7-20-10-11-34(29(20)37)18(2)28(36)33-26(14-19-12-23(30)16-24(31)13-19)27(35)25-15-21-8-5-6-9-22(21)17-32-25/h5-6,8-9,12-13,16,18,20,25-27,32,35H,3-4,7,10-11,14-15,17H2,1-2H3,(H,33,36)/t18-,20-,25+,26-,27+/m0/s1 YBPZORZQECJLAQ-MRWWSNIRSA-N 50357487 CHEMBL1915988 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997666 136961511 CHEMBL1915988 ZINC73167130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197267 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)Cc2ccc(F)cc2)C1=O)NC(C)=O InChI=1S/C40H49F3N4O6S/c1-4-25(2)40(46-26(3)48)16-17-47(39(40)51)36(15-12-27-8-6-5-7-9-27)38(50)45-35(20-29-18-31(42)21-32(43)19-29)37(49)34-22-33(23-44-34)54(52,53)24-28-10-13-30(41)14-11-28/h5-11,13-14,18-19,21,25,33-37,44,49H,4,12,15-17,20,22-24H2,1-3H3,(H,45,50)(H,46,48)/t25?,33-,34-,35+,36+,37-,40+/m1/s1 JHSNGLVIKDQTQV-OGBHQHSVSA-N 50357483 CHEMBL1914607 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391024 136961507 CHEMBL1914607 ZINC95548792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197268 CCCC[C@@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)CCC)C1=O InChI=1S/C27H41F2N3O5S/c1-4-6-7-19-8-9-32(27(19)35)17(3)26(34)31-24(13-18-11-20(28)14-21(29)12-18)25(33)23-15-22(16-30-23)38(36,37)10-5-2/h11-12,14,17,19,22-25,30,33H,4-10,13,15-16H2,1-3H3,(H,31,34)/t17-,19+,22+,23+,24-,25+/m0/s1 XRDBCOOZVZBDKW-GISBNZKNSA-N 50357484 CHEMBL1914608 Beta-secretase 1 Homo sapiens >330 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392821 136961508 CHEMBL1914608 ZINC73389322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197269 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32?,33-,34-,36+,39-/m0/s1 PBXQNTXVQOUXNO-ROKYFZDPSA-N 50357476 CHEMBL1917907 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997668 136961500 CHEMBL1917907 ZINC82139836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197270 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1Cc2ccccc2CN1 InChI=1S/C32H37F2N3O3/c1-3-12-37(13-4-2)32(40)24-11-7-10-23(17-24)31(39)36-29(16-21-14-26(33)19-27(34)15-21)30(38)28-18-22-8-5-6-9-25(22)20-35-28/h5-11,14-15,17,19,28-30,35,38H,3-4,12-13,16,18,20H2,1-2H3,(H,36,39)/t28-,29+,30-/m1/s1 OAYGVALPPHEIOB-DYIKCSJPSA-N 50357479 CHEMBL1917910 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399172 136961503 CHEMBL1917910 ZINC73169128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197271 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(O)c3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O5/c1-4-23(2)38(43-24(3)45)15-16-44(37(38)49)33(14-13-25-9-6-5-7-10-25)36(48)42-32(19-26-17-28(39)21-29(40)18-26)35(47)31-20-27-11-8-12-34(46)30(27)22-41-31/h5-12,17-18,21,23,31-33,35,41,46-47H,4,13-16,19-20,22H2,1-3H3,(H,42,48)(H,43,45)/t23?,31?,32-,33-,35+,38-/m0/s1 DYAVMDXKNKDORY-SRUXZIQJSA-N 50357478 CHEMBL1917909 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400929 136961502 CHEMBL1917909 ZINC82138078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197272 CCCS(=O)(=O)[C@@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C36H50F2N4O6S/c1-5-16-49(47,48)29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30+,31-,32-,33+,36-/m0/s1 KKMCDUNMVHVGEW-ZDCQLQKLSA-N 50357480 CHEMBL1917914 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392204 136961504 CHEMBL1917914 ZINC82137987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197273 CCCN(CCC)C(=O)c1cc(cc(c1)-c1ncco1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)S(=O)(=O)CCC InChI=1S/C33H42F2N4O6S/c1-4-8-39(9-5-2)33(42)24-16-22(15-23(17-24)32-36-7-10-45-32)31(41)38-29(14-21-12-25(34)18-26(35)13-21)30(40)28-19-27(20-37-28)46(43,44)11-6-3/h7,10,12-13,15-18,27-30,37,40H,4-6,8-9,11,14,19-20H2,1-3H3,(H,38,41)/t27-,28-,29+,30-/m1/s1 YDOMJVDTZBDVFM-GKIKGMKOSA-N 50357481 CHEMBL1917915 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397488 136961505 CHEMBL1917915 ZINC82137988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197274 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)c2ccccc2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O6S/c1-4-25(2)39(44-26(3)46)17-18-45(38(39)49)35(16-15-27-11-7-5-8-12-27)37(48)43-34(21-28-19-29(40)22-30(41)20-28)36(47)33-23-32(24-42-33)52(50,51)31-13-9-6-10-14-31/h5-14,19-20,22,25,32-36,42,47H,4,15-18,21,23-24H2,1-3H3,(H,43,48)(H,44,46)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 SUUVJOHVGBRKCM-BGUFJGJISA-N 50357482 CHEMBL1917916 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400932 136961506 CHEMBL1917916 ZINC82137990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197275 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O InChI=1S/C29H37F2N3O3/c1-3-4-7-20-10-11-34(29(20)37)18(2)28(36)33-26(14-19-12-23(30)16-24(31)13-19)27(35)25-15-21-8-5-6-9-22(21)17-32-25/h5-6,8-9,12-13,16,18,20,25-27,32,35H,3-4,7,10-11,14-15,17H2,1-2H3,(H,33,36)/t18-,20-,25+,26-,27+/m0/s1 YBPZORZQECJLAQ-MRWWSNIRSA-N 50357487 CHEMBL1915988 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997666 136961511 CHEMBL1915988 ZINC73167130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197276 CCCS[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C36H50F2N4O4S/c1-5-16-47-29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30-,31+,32+,33-,36+/m1/s1 XYDSBMUOZQMRGN-FFFUPCJUSA-N 50357490 CHEMBL1917912 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395700 136961514 CHEMBL1917912 ZINC82139882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197277 CCCS(=O)(=O)[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C36H50F2N4O6S/c1-5-16-49(47,48)29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30-,31+,32+,33-,36+/m1/s1 KKMCDUNMVHVGEW-FFFUPCJUSA-N 50357491 CHEMBL1917913 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400931 136961515 CHEMBL1917913 ZINC82139918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197278 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32-,33-,34-,36+,39-/m0/s1 PBXQNTXVQOUXNO-LMIINJILSA-N 50357477 CHEMBL1917908 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57393961 136961501 CHEMBL1917908 ZINC82139828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197279 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O InChI=1S/C38H50N4O5/c1-5-27(2)38(41-28(3)43)21-22-42(37(38)46)34(20-19-29-13-8-6-9-14-29)36(45)40-33(24-30-15-10-7-11-16-30)35(44)26-39-25-31-17-12-18-32(23-31)47-4/h6-18,23,27,33-35,39,44H,5,19-22,24-26H2,1-4H3,(H,40,45)(H,41,43)/t27?,33-,34-,35+,38-/m0/s1 SMPAHDBHYSCFQF-MELYXSMSSA-N 50357488 CHEMBL1917902 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57397484 136961512 CHEMBL1917902 ZINC73161310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197280 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O InChI=1S/C36H43F2N3O3/c1-2-3-11-26-16-17-41(36(26)44)33(15-14-24-9-5-4-6-10-24)35(43)40-32(20-25-18-29(37)22-30(38)19-25)34(42)31-21-27-12-7-8-13-28(27)23-39-31/h4-10,12-13,18-19,22,26,31-34,39,42H,2-3,11,14-17,20-21,23H2,1H3,(H,40,43)/t26-,31+,32-,33-,34+/m0/s1 GUUJUIXBOCRPLX-ZKZCUZKLSA-N 50357486 CHEMBL1915987 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2011.06.116 10.7270/Q2GB24G3 21974952 Thompson, LA; Shi, J; Decicco, CP; Tebben, AJ; Olson, RE; Boy, KM; Guernon, JM; Good, AC; Liauw, A; Zheng, C; Copeland, RA; Combs, AP; Trainor, GL; Camac, DM; Muckelbauer, JK; Lentz, KA; Grace, JE; Burton, CR; Toyn, JH; Barten, DM; Marcinkeviciene, J; Meredith, JE; Albright, CF; Macor, JE Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997367 136961510 CHEMBL1915987 ZINC73157008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199435 CC(C)=CCc1cc2ccc(=O)oc2cc1O InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3 FIDUIAPDSKSUGO-UHFFFAOYSA-N 50292574 7-demethylsuberosine::CHEMBL502689 Beta-secretase 1 Homo sapiens 412900 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5316525 104134125 69042 CHEMBL502689 C18083 ZINC12153561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199436 CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1 QTAGQHZOLRFCBU-ZDUSSCGKSA-N 50361376 OXYPEUCEDANIN Beta-secretase 1 Homo sapiens 359200 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 33306 136965438 69830 C09282 ZINC00518644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199437 CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1 PEWFWDOPJISUOK-CYBMUJFWSA-N 50361377 CHEMBL454060 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17536 136965439 69829 CHEMBL454060 ZINC00477938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199438 CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 IGWDEVSBEKYORK-UHFFFAOYSA-N 50242377 CHEMBL448060::isoimperatorin Beta-secretase 1 Homo sapiens 244200 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68081 104099046 66071 CHEMBL448060 C16976 ZINC00296185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199439 CC(C)=CCOc1c2ccoc2c(O)c2oc(=O)ccc12 InChI=1S/C16H14O5/c1-9(2)5-7-19-14-10-3-4-12(17)21-16(10)13(18)15-11(14)6-8-20-15/h3-6,8,18H,7H2,1-2H3 BEYIWVKWKJROGZ-UHFFFAOYSA-N 50361384 CHEMBL1934070 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 21826766 136965446 CHEMBL1934070 ZINC73388515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199440 CC(C)=CCC\C(C)=C\COc1c2ccoc2c(O)c2oc(=O)ccc12 InChI=1S/C21H22O5/c1-13(2)5-4-6-14(3)9-11-24-19-15-7-8-17(22)26-21(15)18(23)20-16(19)10-12-25-20/h5,7-10,12,23H,4,6,11H2,1-3H3/b14-9+ NYBJTQCCTNMUBM-NTEUORMPSA-N 50361385 CHEMBL1934071 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403718 136965447 CHEMBL1934071 ZINC73220658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199441 Oc1c2ccoc2c(O)c2oc(=O)ccc12 InChI=1S/C11H6O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4,13-14H DZEPISXWRUMGFN-UHFFFAOYSA-N 50361382 CHEMBL1934068 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5376215 136965444 CHEMBL1934068 ZINC06526115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199442 COc1c2ccoc2c(O)c2oc(=O)ccc12 InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3 MVJHUMZXIJPVHV-UHFFFAOYSA-N 50361383 CHEMBL1934069 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3083726 136965445 CHEMBL1934069 ZINC13322992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199443 CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3 FOINLJRVEBYARJ-UHFFFAOYSA-N 50361380 HERACLENOL Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 328236 136965442 ZINC02585551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199444 O=c1ccc2ccc3occc3c2o1 InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H XDROKJSWHURZGO-UHFFFAOYSA-N 50331545 2H-furo[2,3-h]chromen-2-one::CHEMBL53569::Furo[2,3-h]chromen-2-one::Furo[2,3-h]chromen-2-one(angelicin)::Isopsoralen::angelicin Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10658 123110660 28928 CHEMBL53569 C09060 ZINC00073700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199445 O=c1ccc2cc3ccoc3cc2o1 InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H ZCCUUQDIBDJBTK-UHFFFAOYSA-N 50331544 7H-furo[3,2-g]chromen-7-one::CHEMBL164660::Furo[3,2-g]chromen-7-one::psoralen Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6199 123110659 27616 CHEMBL164660 C09305 ZINC00120283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199446 CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ DBMJZOMNXBSRED-OQLLNIDSSA-N 50310823 CHEMBL1078442::bergamottin Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HJJ 6DWM 5471349 104145184 70476 CHEMBL1078442 ZINC01658570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199447 Oc1ccc2ccc(=O)oc2c1 InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ORHBXUUXSCNDEV-UHFFFAOYSA-N 50174558 7-hydroxy-2H-1-benzopyran-2-one::7-hydroxy-2H-chromen-2-one::CHEMBL51628::Coumarin derivative, 3a::beta-umbelliferone::hydrangin::skimmetin::umbelliferone Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50174558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50174558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 07L 5LNI,5LNJ,8DQQ,3U0F,5RT5 5281426 104060374 27510 CHEMBL51628 C09315 ZINC00058111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199448 COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1 PKRPFNXROFUNDE-LLVKDONJSA-N 50361390 BYAKANGELICIN Beta-secretase 1 Homo sapiens 6200 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10211 136965452 C09141 ZINC00898098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199449 COc1c2occc2c(OC\C=C(/C)CCC=C(C)C)c2ccc(=O)oc12 InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ OQHQALGVQDTJDN-XNTDXEJSSA-N 50361388 CHEMBL1934195 Beta-secretase 1 Homo sapiens 9900 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6440422 136965450 CHEMBL1934195 ZINC05158591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199450 COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12 InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1 ORBITTMJKIGFNH-LLVKDONJSA-N 50361389 CHEMBL1934196 Beta-secretase 1 Homo sapiens 104900 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3055167 136965451 CHEMBL1934196 C16925 ZINC13380841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199451 COc1c2occc2c(OCC=C(C)C)c2ccc(=O)oc12 InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3 NNDOCYLWULORAM-UHFFFAOYSA-N 50361387 CHEMBL1934194 Beta-secretase 1 Homo sapiens 3442000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 821449 136965449 CHEMBL1934194 C17503 ZINC00338330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199452 COc1ccc2ccc(=O)oc2c1CC=C(C)C InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 MBRLOUHOWLUMFF-UHFFFAOYSA-N 50240512 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one::CHEMBL52229::Osthol::osthole Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search A0O 6UL7,7RAS,7RAU,6AKR 10228 104098331 69832 CHEMBL52229 C09280 ZINC00000566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199453 CC(C)(O)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21 InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1 YRAQEMCYCSSHJG-NSHDSACASA-N 50361393 COLUMBIANETIN Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 92201 136965455 437678 ZINC00898179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199454 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3/t11-/m1/s1 UJSHBYQGQRPVNO-LLVKDONJSA-N 50361398 CHEMBL503137::LOMATIN Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmc.2011.12.002 10.7270/Q2F47PKK 22222157 Marumoto, S; Miyazawa, M Kinki University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 600670 136965460 CHEMBL503137 ZINC00225579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197323 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C(F)(F)F)C1=O)NC(C)=O InChI=1S/C41H49F5N4O5/c1-4-25(2)40(49-26(3)51)15-16-50(39(40)54)36(14-13-27-9-6-5-7-10-27)38(53)48-35(20-29-18-31(42)21-32(43)19-29)37(52)34-22-33(23-47-34)55-24-28-11-8-12-30(17-28)41(44,45)46/h5-12,17-19,21,25,33-37,47,52H,4,13-16,20,22-24H2,1-3H3,(H,48,53)(H,49,51)/t25?,33-,34-,35+,36+,37-,40+/m1/s1 FAJUKEHUTZFPSJ-OGBHQHSVSA-N 50357716 CHEMBL1916166 Beta-secretase 1 Homo sapiens 2.7 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621924 136961740 CHEMBL1916166 ZINC95548869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197324 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](COC)C1=O InChI=1S/C32H43F2N3O5/c1-3-13-42-26-18-27(35-19-26)30(38)28(16-22-14-24(33)17-25(34)15-22)36-31(39)29(10-9-21-7-5-4-6-8-21)37-12-11-23(20-41-2)32(37)40/h4-8,14-15,17,23,26-30,35,38H,3,9-13,16,18-20H2,1-2H3,(H,36,39)/t23-,26-,27-,28+,29+,30-/m1/s1 XIOCYSCUCXBALF-CYARFFJQSA-N 50357736 CHEMBL1915995 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396342 136961760 CHEMBL1915995 ZINC73160646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197325 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C#N)C1=O)NC(C)=O InChI=1S/C41H49F2N5O5/c1-4-26(2)41(47-27(3)49)15-16-48(40(41)52)37(14-13-28-9-6-5-7-10-28)39(51)46-36(20-31-18-32(42)21-33(43)19-31)38(50)35-22-34(24-45-35)53-25-30-12-8-11-29(17-30)23-44/h5-12,17-19,21,26,34-38,45,50H,4,13-16,20,22,24-25H2,1-3H3,(H,46,51)(H,47,49)/t26?,34-,35-,36+,37+,38-,41+/m1/s1 WHJDHEFEUPUHMG-JRNHVIPRSA-N 50357717 CHEMBL1916167 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11556734 136961741 CHEMBL1916167 ZINC82137976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197326 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H]([C@H](O)CCC)C1=O InChI=1S/C34H47F2N3O5/c1-3-8-31(40)27-13-14-39(34(27)43)30(12-11-22-9-6-5-7-10-22)33(42)38-29(18-23-16-24(35)19-25(36)17-23)32(41)28-20-26(21-37-28)44-15-4-2/h5-7,9-10,16-17,19,26-32,37,40-41H,3-4,8,11-15,18,20-21H2,1-2H3,(H,38,42)/t26-,27-,28-,29+,30+,31-,32-/m1/s1 XXIRTBPDSKEUAH-BOSRKNLLSA-N 50357737 CHEMBL1915996 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392862 136961761 CHEMBL1915996 ZINC82138049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197327 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccc(F)cc2)C1=O)NC(C)=O InChI=1S/C40H49F3N4O5/c1-4-25(2)40(46-26(3)48)16-17-47(39(40)51)36(15-12-27-8-6-5-7-9-27)38(50)45-35(20-29-18-31(42)21-32(43)19-29)37(49)34-22-33(23-44-34)52-24-28-10-13-30(41)14-11-28/h5-11,13-14,18-19,21,25,33-37,44,49H,4,12,15-17,20,22-24H2,1-3H3,(H,45,50)(H,46,48)/t25?,33-,34-,35+,36+,37-,40+/m1/s1 PYFPQNUDNPPKCN-OGBHQHSVSA-N 50357718 CHEMBL1916168 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11679286 136961742 CHEMBL1916168 ZINC82137996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197328 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O InChI=1S/C27H41F2N3O4/c1-4-6-7-19-8-9-32(27(19)35)17(3)26(34)31-24(13-18-11-20(28)14-21(29)12-18)25(33)23-15-22(16-30-23)36-10-5-2/h11-12,14,17,19,22-25,30,33H,4-10,13,15-16H2,1-3H3,(H,31,34)/t17-,19-,22+,23+,24-,25+/m0/s1 NCNBQNSEYDEPDM-NNMAOJKYSA-N 50357738 CHEMBL1915997 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11677867 136961762 CHEMBL1915997 ZINC73167735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197329 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccn2)C1=O)NC(C)=O InChI=1S/C39H49F2N5O5/c1-4-25(2)39(45-26(3)47)15-17-46(38(39)50)35(14-13-27-10-6-5-7-11-27)37(49)44-34(20-28-18-29(40)21-30(41)19-28)36(48)33-22-32(23-43-33)51-24-31-12-8-9-16-42-31/h5-12,16,18-19,21,25,32-36,43,48H,4,13-15,17,20,22-24H2,1-3H3,(H,44,49)(H,45,47)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 JUNJDMWAWDTTAA-BGUFJGJISA-N 50357719 CHEMBL1916169 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391182 136961743 CHEMBL1916169 ZINC82137998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197330 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 InChI=1S/C38H46F2N4O5/c1-25(45)43-38(22-27-11-12-27)15-16-44(37(38)48)34(14-13-26-7-4-3-5-8-26)36(47)42-33(20-29-17-30(39)21-31(40)18-29)35(46)24-41-23-28-9-6-10-32(19-28)49-2/h3-10,17-19,21,27,33-35,41,46H,11-16,20,22-24H2,1-2H3,(H,42,47)(H,43,45)/t33-,34-,35+,38-/m0/s1 FLLNPTJXMMMUIQ-FMOZQJFPSA-N 50357703 CHEMBL1915751 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57402628 136961727 CHEMBL1915751 ZINC82138105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197331 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C36H50F2N4O5/c1-5-16-47-29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30-,31+,32+,33-,36+/m1/s1 NIJRXGKMRCWJPW-FFFUPCJUSA-N 50357732 CHEMBL1915991 Beta-secretase 1 Homo sapiens 2.7 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396341 136961756 CHEMBL1915991 ZINC82140793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197332 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C36H45F2N3O4/c1-3-4-12-28-16-17-41(36(28)44)33(15-14-25-9-6-5-7-10-25)35(43)40-32(21-27-18-29(37)22-30(38)19-27)34(42)24-39-23-26-11-8-13-31(20-26)45-2/h5-11,13,18-20,22,28,32-34,39,42H,3-4,12,14-17,21,23-24H2,1-2H3,(H,40,43)/t28-,32-,33-,34+/m0/s1 RZGMTOUZICFOSQ-JWDVHEBFSA-N 50357704 CHEMBL1915974 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391072 136961728 CHEMBL1915974 ZINC73156780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197333 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccnc2)C1=O)NC(C)=O InChI=1S/C39H49F2N5O5/c1-4-25(2)39(45-26(3)47)14-16-46(38(39)50)35(13-12-27-9-6-5-7-10-27)37(49)44-34(19-29-17-30(40)20-31(41)18-29)36(48)33-21-32(23-43-33)51-24-28-11-8-15-42-22-28/h5-11,15,17-18,20,22,25,32-36,43,48H,4,12-14,16,19,21,23-24H2,1-3H3,(H,44,49)(H,45,47)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 DBYZUQAQFHNTAT-BGUFJGJISA-N 50357720 CHEMBL1916170 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401672 136961744 CHEMBL1916170 ZINC82137954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197334 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)c1 InChI=1S/C35H43F2N3O4/c1-23(2)30-14-15-40(35(30)43)32(13-12-24-8-5-4-6-9-24)34(42)39-31(19-26-16-27(36)20-28(37)17-26)33(41)22-38-21-25-10-7-11-29(18-25)44-3/h4-11,16-18,20,23,30-33,38,41H,12-15,19,21-22H2,1-3H3,(H,39,42)/t30-,31+,32+,33-/m1/s1 WPFRSKLWUXEGKP-JDIHBLRXSA-N 50357705 CHEMBL1915975 Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401659 136961729 CHEMBL1915975 ZINC73168231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197335 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O InChI=1S/C34H47F2N3O4/c1-3-5-11-25-14-15-39(34(25)42)31(13-12-23-9-7-6-8-10-23)33(41)38-30(19-24-17-26(35)20-27(36)18-24)32(40)29-21-28(22-37-29)43-16-4-2/h6-10,17-18,20,25,28-32,37,40H,3-5,11-16,19,21-22H2,1-2H3,(H,38,41)/t25-,28+,29+,30-,31-,32+/m0/s1 OFSQPUHXPQZHMJ-CZEWIVDSSA-N 50357733 CHEMBL1915992 Beta-secretase 1 Homo sapiens 84 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399789 136961757 CHEMBL1915992 ZINC73170064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197336 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](C(C)C)C1=O InChI=1S/C33H45F2N3O4/c1-4-14-42-26-19-28(36-20-26)31(39)29(17-23-15-24(34)18-25(35)16-23)37-32(40)30(11-10-22-8-6-5-7-9-22)38-13-12-27(21(2)3)33(38)41/h5-9,15-16,18,21,26-31,36,39H,4,10-14,17,19-20H2,1-3H3,(H,37,40)/t26-,27-,28-,29+,30+,31-/m1/s1 VWOLQCVVABTFAB-FNBYOJNGSA-N 50357734 CHEMBL1915993 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11541583 136961758 CHEMBL1915993 ZINC73160639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197337 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1 InChI=1S/C36H45F2N3O4/c1-24(2)16-28-14-15-41(36(28)44)33(13-12-25-8-5-4-6-9-25)35(43)40-32(20-27-17-29(37)21-30(38)18-27)34(42)23-39-22-26-10-7-11-31(19-26)45-3/h4-11,17-19,21,24,28,32-34,39,42H,12-16,20,22-23H2,1-3H3,(H,40,43)/t28-,32+,33+,34-/m1/s1 SNDXBLGCUUUDPP-XZLGBSMGSA-N 50357706 CHEMBL1915976 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403385 136961730 CHEMBL1915976 ZINC73168234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197338 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](CC(C)C)C1=O InChI=1S/C34H47F2N3O4/c1-4-14-43-28-20-29(37-21-28)32(40)30(18-24-16-26(35)19-27(36)17-24)38-33(41)31(11-10-23-8-6-5-7-9-23)39-13-12-25(34(39)42)15-22(2)3/h5-9,16-17,19,22,25,28-32,37,40H,4,10-15,18,20-21H2,1-3H3,(H,38,41)/t25-,28-,29-,30+,31+,32-/m1/s1 HXZAKSZKAREBFC-BGLHFFMUSA-N 50357735 CHEMBL1915994 Beta-secretase 1 Homo sapiens 69 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11642873 136961759 CHEMBL1915994 ZINC73160643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197339 COC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C34H41F2N3O5/c1-43-22-26-13-14-39(34(26)42)31(12-11-23-7-4-3-5-8-23)33(41)38-30(18-25-15-27(35)19-28(36)16-25)32(40)21-37-20-24-9-6-10-29(17-24)44-2/h3-10,15-17,19,26,30-32,37,40H,11-14,18,20-22H2,1-2H3,(H,38,41)/t26-,30+,31+,32-/m1/s1 LVFMRCNROUBZAJ-SSHYCOHZSA-N 50357707 CHEMBL1915977 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403386 136961731 CHEMBL1915977 ZINC73169081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197340 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](C(C)C)C1=O InChI=1S/C26H39F2N3O4/c1-5-8-35-20-13-22(29-14-20)24(32)23(11-17-9-18(27)12-19(28)10-17)30-25(33)16(4)31-7-6-21(15(2)3)26(31)34/h9-10,12,15-16,20-24,29,32H,5-8,11,13-14H2,1-4H3,(H,30,33)/t16-,20+,21+,22+,23-,24+/m0/s1 IBXXTGWKFIXDPT-IRYAZXERSA-N 50357739 CHEMBL1915998 Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394592 136961763 CHEMBL1915998 ZINC73167738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197341 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1=O InChI=1S/C27H41F2N3O4/c1-5-8-36-22-14-23(30-15-22)25(33)24(12-18-10-20(28)13-21(29)11-18)31-26(34)17(4)32-7-6-19(27(32)35)9-16(2)3/h10-11,13,16-17,19,22-25,30,33H,5-9,12,14-15H2,1-4H3,(H,31,34)/t17-,19+,22+,23+,24-,25+/m0/s1 BJPUGAOPNNOBLI-GISBNZKNSA-N 50357740 CHEMBL1915999 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11504414 136961764 CHEMBL1915999 ZINC43127625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197342 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H]([C@H](O)CCC)C1=O InChI=1S/C27H41F2N3O5/c1-4-6-24(33)21-7-8-32(27(21)36)16(3)26(35)31-23(12-17-10-18(28)13-19(29)11-17)25(34)22-14-20(15-30-22)37-9-5-2/h10-11,13,16,20-25,30,33-34H,4-9,12,14-15H2,1-3H3,(H,31,35)/t16-,20+,21+,22+,23-,24+,25+/m0/s1 XCHFFXDCKJJIKQ-APIVQFLDSA-N 50357741 CHEMBL1916000 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399790 136961765 CHEMBL1916000 ZINC73168881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197343 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O)NC(C)=O InChI=1S/C33H44F2N4O5/c1-4-20(2)33(38-21(3)40)12-13-39(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)37-28(30(42)27-18-26(41)19-36-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,36,41-42H,4,10-13,16,18-19H2,1-3H3,(H,37,43)(H,38,40)/t20?,26-,27-,28+,29+,30-,33+/m1/s1 LAMCTYMUFVYFER-TWRNEFRHSA-N 50357742 CHEMBL1916001 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11628699 136961766 CHEMBL1916001 ZINC73163565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197344 CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C36H45F2N3O5/c1-3-8-33(42)30-15-16-41(36(30)45)32(14-13-24-9-5-4-6-10-24)35(44)40-31(20-26-17-27(37)21-28(38)18-26)34(43)23-39-22-25-11-7-12-29(19-25)46-2/h4-7,9-12,17-19,21,30-34,39,42-43H,3,8,13-16,20,22-23H2,1-2H3,(H,40,44)/t30-,31+,32+,33-,34-/m1/s1 ZRBJRIFNTXBCRI-BWNLSPMZSA-N 50357721 CHEMBL1915978 Beta-secretase 1 Homo sapiens 5.2 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403387 136961745 CHEMBL1915978 ZINC82138074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197345 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 InChI=1S/C31H40F2N4O5/c1-19(37-10-9-31(30(37)41,36-20(2)38)16-21-7-8-21)29(40)35-27(14-23-11-24(32)15-25(33)12-23)28(39)18-34-17-22-5-4-6-26(13-22)42-3/h4-6,11-13,15,19,21,27-28,34,39H,7-10,14,16-18H2,1-3H3,(H,35,40)(H,36,38)/t19-,27-,28+,31-/m0/s1 PZJBTJGORPCYGH-OKDYYHMFSA-N 50357722 CHEMBL1915979 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392936 136961746 CHEMBL1915979 ZINC73167887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197346 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C29H39F2N3O4/c1-4-5-8-22-10-11-34(29(22)37)19(2)28(36)33-26(15-21-12-23(30)16-24(31)13-21)27(35)18-32-17-20-7-6-9-25(14-20)38-3/h6-7,9,12-14,16,19,22,26-27,32,35H,4-5,8,10-11,15,17-18H2,1-3H3,(H,33,36)/t19-,22-,26-,27+/m0/s1 RYXMQHSUQKMLQC-ZYROZYFVSA-N 50357723 CHEMBL1915980 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56928834 136961747 CHEMBL1915980 ZINC73167891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197347 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](N)CN2)C1=O)NC(C)=O InChI=1S/C33H45F2N5O4/c1-4-20(2)33(39-21(3)41)12-13-40(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)38-28(30(42)27-18-26(36)19-37-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,37,42H,4,10-13,16,18-19,36H2,1-3H3,(H,38,43)(H,39,41)/t20?,26-,27-,28+,29+,30-,33+/m1/s1 XOYZPRDIMSHLPA-TWRNEFRHSA-N 50357714 CHEMBL1916163 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403404 136961738 CHEMBL1916163 ZINC73164895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197348 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](N)CN2)C1=O)NC(C)=O InChI=1S/C33H45F2N5O4/c1-4-20(2)33(39-21(3)41)12-13-40(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)38-28(30(42)27-18-26(36)19-37-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,37,42H,4,10-13,16,18-19,36H2,1-3H3,(H,38,43)(H,39,41)/t20?,26-,27+,28-,29-,30+,33-/m0/s1 XOYZPRDIMSHLPA-MRWURJTPSA-N 50357715 CHEMBL1916164 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392956 136961739 CHEMBL1916164 ZINC73164902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197349 CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C29H39F2N3O5/c1-4-6-26(35)24-9-10-34(29(24)38)18(2)28(37)33-25(14-20-11-21(30)15-22(31)12-20)27(36)17-32-16-19-7-5-8-23(13-19)39-3/h5,7-8,11-13,15,18,24-27,32,35-36H,4,6,9-10,14,16-17H2,1-3H3,(H,33,37)/t18-,24+,25-,26+,27+/m0/s1 YCOXCOQIJGLYOQ-VDZGFAOQSA-N 50357727 CHEMBL1915984 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399788 136961751 CHEMBL1915984 ZINC73142038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197350 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O InChI=1S/C33H44F2N4O5/c1-4-20(2)33(38-21(3)40)12-13-39(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)37-28(30(42)27-18-26(41)19-36-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,36,41-42H,4,10-13,16,18-19H2,1-3H3,(H,37,43)(H,38,40)/t20?,26-,27+,28-,29-,30+,33-/m0/s1 LAMCTYMUFVYFER-MRWURJTPSA-N 50357744 CHEMBL1916003 Beta-secretase 1 Homo sapiens 0.890000 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11505418 136961768 CHEMBL1916003 ZINC73161012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197351 CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C24H35F2N3O5/c1-3-4-21(31)18-5-6-29(24(18)34)13(2)23(33)28-20(22(32)19-11-17(30)12-27-19)9-14-7-15(25)10-16(26)8-14/h7-8,10,13,17-22,27,30-32H,3-6,9,11-12H2,1-2H3,(H,28,33)/t13-,17-,18+,19+,20-,21+,22+/m0/s1 ZETIFIIPHSQINF-PMBRNAONSA-N 50357710 CHEMBL1916156 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403403 136961734 CHEMBL1916156 ZINC73196687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197352 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-24(2)22-38(43-25(3)45)15-16-44(37(38)48)34(14-13-26-9-5-4-6-10-26)36(47)42-33(19-27-17-30(39)21-31(40)18-27)35(46)32-20-28-11-7-8-12-29(28)23-41-32/h4-12,17-18,21,24,32-35,41,46H,13-16,19-20,22-23H2,1-3H3,(H,42,47)(H,43,45)/t32-,33+,34+,35-,38+/m1/s1 JJJDOYFRIVNWHV-WUCUQKTKSA-N 50357728 CHEMBL1915985 Beta-secretase 1 Homo sapiens 9.5 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search PB8 3SKG 24997667 136961752 CHEMBL1915985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197353 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C31H41F2N3O4/c1-2-3-9-22-12-13-36(31(22)40)28(11-10-20-7-5-4-6-8-20)30(39)35-27(29(38)26-18-25(37)19-34-26)16-21-14-23(32)17-24(33)15-21/h4-8,14-15,17,22,25-29,34,37-38H,2-3,9-13,16,18-19H2,1H3,(H,35,39)/t22-,25-,26+,27-,28-,29+/m0/s1 JZIFFYJEFQCCJY-GHNNSOBRSA-N 50357745 CHEMBL1916004 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391075 136961769 CHEMBL1916004 ZINC73162307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197354 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccc2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-4-25(2)39(44-26(3)46)17-18-45(38(39)49)35(16-15-27-11-7-5-8-12-27)37(48)43-34(21-28-19-29(40)22-30(41)20-28)36(47)33-23-32(24-42-33)50-31-13-9-6-10-14-31/h5-14,19-20,22,25,32-36,42,47H,4,15-18,21,23-24H2,1-3H3,(H,43,48)(H,44,46)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 PVYCGZPNCKAIJN-BGUFJGJISA-N 50357711 CHEMBL1916157 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11679203 136961735 CHEMBL1916157 ZINC82139932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197355 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-4-24(2)38(43-25(3)45)16-17-44(37(38)48)34(15-14-26-10-6-5-7-11-26)36(47)42-33(20-27-18-30(39)22-31(40)19-27)35(46)32-21-28-12-8-9-13-29(28)23-41-32/h5-13,18-19,22,24,32-35,41,46H,4,14-17,20-21,23H2,1-3H3,(H,42,47)(H,43,45)/t24?,32-,33+,34+,35-,38+/m1/s1 XLKDNRYXYLCLKU-BJHRAMSHSA-N 50357729 CHEMBL1915986 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403311 136961753 CHEMBL1915986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197356 CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C31H41F2N3O5/c1-2-6-28(38)24-11-12-36(31(24)41)27(10-9-19-7-4-3-5-8-19)30(40)35-26(29(39)25-17-23(37)18-34-25)15-20-13-21(32)16-22(33)14-20/h3-5,7-8,13-14,16,23-29,34,37-39H,2,6,9-12,15,17-18H2,1H3,(H,35,40)/t23-,24+,25+,26-,27-,28+,29+/m0/s1 BJLXWUUPRPJDFP-WKKCFTSASA-N 50357746 CHEMBL1916005 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401558 136961770 CHEMBL1916005 ZINC73168644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197357 CCC(C)[C@]1(CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O InChI=1S/C26H38F2N4O5/c1-5-14(2)26(31-16(4)33)6-7-32(25(26)37)15(3)24(36)30-22(23(35)21-12-20(34)13-29-21)10-17-8-18(27)11-19(28)9-17/h8-9,11,14-15,20-23,29,34-35H,5-7,10,12-13H2,1-4H3,(H,30,36)(H,31,33)/t14?,15-,20-,21+,22-,23+,26-/m0/s1 QPTJRBQKRLMQEY-YNVDWLBKSA-N 50357708 CHEMBL1916006 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401559 136961732 CHEMBL1916006 ZINC73167389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197358 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O)NC(C)=O InChI=1S/C38H47F2N5O5/c1-4-24(2)38(44-25(3)46)15-17-45(37(38)49)33(14-13-26-10-6-5-7-11-26)36(48)43-32(20-27-18-28(39)21-29(40)19-27)35(47)31-22-30(23-42-31)50-34-12-8-9-16-41-34/h5-12,16,18-19,21,24,30-33,35,42,47H,4,13-15,17,20,22-23H2,1-3H3,(H,43,48)(H,44,46)/t24?,30-,31-,32+,33+,35-,38+/m1/s1 KJMWIIZCJOFKRK-ZTZATMENSA-N 50357712 CHEMBL1916158 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11650532 136961736 CHEMBL1916158 ZINC82137942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197359 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O InChI=1S/C36H43F2N3O3/c1-2-3-11-26-16-17-41(36(26)44)33(15-14-24-9-5-4-6-10-24)35(43)40-32(20-25-18-29(37)22-30(38)19-25)34(42)31-21-27-12-7-8-13-28(27)23-39-31/h4-10,12-13,18-19,22,26,31-34,39,42H,2-3,11,14-17,20-21,23H2,1H3,(H,40,43)/t26-,31+,32-,33-,34+/m0/s1 GUUJUIXBOCRPLX-ZKZCUZKLSA-N 50357486 CHEMBL1915987 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997367 136961510 CHEMBL1915987 ZINC73157008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197360 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C24H35F2N3O4/c1-3-4-5-16-6-7-29(24(16)33)14(2)23(32)28-21(22(31)20-12-19(30)13-27-20)10-15-8-17(25)11-18(26)9-15/h8-9,11,14,16,19-22,27,30-31H,3-7,10,12-13H2,1-2H3,(H,28,32)/t14-,16-,19-,20+,21-,22+/m0/s1 SREKHYYKSXMTLV-ZQKSUZJASA-N 50357709 CHEMBL1916007 Beta-secretase 1 Homo sapiens 96 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394593 136961733 CHEMBL1916007 ZINC73168647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197361 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2cccnc2)C1=O)NC(C)=O InChI=1S/C38H47F2N5O5/c1-4-24(2)38(44-25(3)46)14-16-45(37(38)49)34(13-12-26-9-6-5-7-10-26)36(48)43-33(19-27-17-28(39)20-29(40)18-27)35(47)32-21-31(23-42-32)50-30-11-8-15-41-22-30/h5-11,15,17-18,20,22,24,31-35,42,47H,4,12-14,16,19,21,23H2,1-3H3,(H,43,48)(H,44,46)/t24?,31-,32-,33+,34+,35-,38+/m1/s1 MOVPTFOREGYDPM-XJKZSDIESA-N 50357713 CHEMBL1916159 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621744 136961737 CHEMBL1916159 ZINC82137944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197362 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C29H39F2N3O4/c1-4-5-8-22-10-11-34(29(22)37)19(2)28(36)33-26(15-21-12-23(30)16-24(31)13-21)27(35)18-32-17-20-7-6-9-25(14-20)38-3/h6-7,9,12-14,16,19,22,26-27,32,35H,4-5,8,10-11,15,17-18H2,1-3H3,(H,33,36)/t19-,22-,26-,27+/m0/s1 RYXMQHSUQKMLQC-ZYROZYFVSA-N 50357723 CHEMBL1915980 Beta-secretase 1 Homo sapiens 81 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56928834 136961747 CHEMBL1915980 ZINC73167891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197363 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](C(C)C)C2=O)c1 InChI=1S/C28H37F2N3O4/c1-17(2)24-8-9-33(28(24)36)18(3)27(35)32-25(13-20-10-21(29)14-22(30)11-20)26(34)16-31-15-19-6-5-7-23(12-19)37-4/h5-7,10-12,14,17-18,24-26,31,34H,8-9,13,15-16H2,1-4H3,(H,32,35)/t18-,24+,25-,26+/m0/s1 UQKUYECLNCZEAK-YSQWDHOWSA-N 50357724 CHEMBL1915981 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403388 136961748 CHEMBL1915981 ZINC73168944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197364 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](CC(C)C)C2=O)c1 InChI=1S/C29H39F2N3O4/c1-18(2)10-22-8-9-34(29(22)37)19(3)28(36)33-26(14-21-11-23(30)15-24(31)12-21)27(35)17-32-16-20-6-5-7-25(13-20)38-4/h5-7,11-13,15,18-19,22,26-27,32,35H,8-10,14,16-17H2,1-4H3,(H,33,36)/t19-,22+,26-,27+/m0/s1 CDPZXZPLCSENLY-OCPVPXFWSA-N 50357725 CHEMBL1915982 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392937 136961749 CHEMBL1915982 ZINC73164258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197365 COC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C27H35F2N3O5/c1-17(32-8-7-20(16-36-2)27(32)35)26(34)31-24(12-19-9-21(28)13-22(29)10-19)25(33)15-30-14-18-5-4-6-23(11-18)37-3/h4-6,9-11,13,17,20,24-25,30,33H,7-8,12,14-16H2,1-3H3,(H,31,34)/t17-,20+,24-,25+/m0/s1 AAAGFCUDAXPDAA-CIQZPUONSA-N 50357726 CHEMBL1915983 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392861 136961750 CHEMBL1915983 ZINC73164262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197366 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O InChI=1S/C29H37F2N3O3/c1-3-4-7-20-10-11-34(29(20)37)18(2)28(36)33-26(14-19-12-23(30)16-24(31)13-19)27(35)25-15-21-8-5-6-9-22(21)17-32-25/h5-6,8-9,12-13,16,18,20,25-27,32,35H,3-4,7,10-11,14-15,17H2,1-2H3,(H,33,36)/t18-,20-,25+,26-,27+/m0/s1 YBPZORZQECJLAQ-MRWWSNIRSA-N 50357487 CHEMBL1915988 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24997666 136961511 CHEMBL1915988 ZINC73167130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197370 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccn2)C1=O)NC(C)=O InChI=1S/C39H49F2N5O5/c1-4-25(2)39(45-26(3)47)15-17-46(38(39)50)35(14-13-27-10-6-5-7-11-27)37(49)44-34(20-28-18-29(40)21-30(41)19-28)36(48)33-22-32(23-43-33)51-24-31-12-8-9-16-42-31/h5-12,16,18-19,21,25,32-36,43,48H,4,13-15,17,20,22-24H2,1-3H3,(H,44,49)(H,45,47)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 JUNJDMWAWDTTAA-BGUFJGJISA-N 50357719 CHEMBL1916169 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391182 136961743 CHEMBL1916169 ZINC82137998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197371 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O InChI=1S/C34H47F2N3O4/c1-3-5-11-25-14-15-39(34(25)42)31(13-12-23-9-7-6-8-10-23)33(41)38-30(19-24-17-26(35)20-27(36)18-24)32(40)29-21-28(22-37-29)43-16-4-2/h6-10,17-18,20,25,28-32,37,40H,3-5,11-16,19,21-22H2,1-2H3,(H,38,41)/t25-,28+,29+,30-,31-,32+/m0/s1 OFSQPUHXPQZHMJ-CZEWIVDSSA-N 50357733 CHEMBL1915992 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399789 136961757 CHEMBL1915992 ZINC73170064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197372 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C36H45F2N3O4/c1-3-4-12-28-16-17-41(36(28)44)33(15-14-25-9-6-5-7-10-25)35(43)40-32(21-27-18-29(37)22-30(38)19-27)34(42)24-39-23-26-11-8-13-31(20-26)45-2/h5-11,13,18-20,22,28,32-34,39,42H,3-4,12,14-17,21,23-24H2,1-2H3,(H,40,43)/t28-,32-,33-,34+/m0/s1 RZGMTOUZICFOSQ-JWDVHEBFSA-N 50357704 CHEMBL1915974 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391072 136961728 CHEMBL1915974 ZINC73156780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197373 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccnc2)C1=O)NC(C)=O InChI=1S/C39H49F2N5O5/c1-4-25(2)39(45-26(3)47)14-16-46(38(39)50)35(13-12-27-9-6-5-7-10-27)37(49)44-34(19-29-17-30(40)20-31(41)18-29)36(48)33-21-32(23-43-33)51-24-28-11-8-15-42-22-28/h5-11,15,17-18,20,22,25,32-36,43,48H,4,12-14,16,19,21,23-24H2,1-3H3,(H,44,49)(H,45,47)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 DBYZUQAQFHNTAT-BGUFJGJISA-N 50357720 CHEMBL1916170 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401672 136961744 CHEMBL1916170 ZINC82137954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197374 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](C(C)C)C1=O InChI=1S/C33H45F2N3O4/c1-4-14-42-26-19-28(36-20-26)31(39)29(17-23-15-24(34)18-25(35)16-23)37-32(40)30(11-10-22-8-6-5-7-9-22)38-13-12-27(21(2)3)33(38)41/h5-9,15-16,18,21,26-31,36,39H,4,10-14,17,19-20H2,1-3H3,(H,37,40)/t26-,27-,28-,29+,30+,31-/m1/s1 VWOLQCVVABTFAB-FNBYOJNGSA-N 50357734 CHEMBL1915993 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11541583 136961758 CHEMBL1915993 ZINC73160639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197375 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)c1 InChI=1S/C35H43F2N3O4/c1-23(2)30-14-15-40(35(30)43)32(13-12-24-8-5-4-6-9-24)34(42)39-31(19-26-16-27(36)20-28(37)17-26)33(41)22-38-21-25-10-7-11-29(18-25)44-3/h4-11,16-18,20,23,30-33,38,41H,12-15,19,21-22H2,1-3H3,(H,39,42)/t30-,31+,32+,33-/m1/s1 WPFRSKLWUXEGKP-JDIHBLRXSA-N 50357705 CHEMBL1915975 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401659 136961729 CHEMBL1915975 ZINC73168231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197376 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](CC(C)C)C1=O InChI=1S/C34H47F2N3O4/c1-4-14-43-28-20-29(37-21-28)32(40)30(18-24-16-26(35)19-27(36)17-24)38-33(41)31(11-10-23-8-6-5-7-9-23)39-13-12-25(34(39)42)15-22(2)3/h5-9,16-17,19,22,25,28-32,37,40H,4,10-15,18,20-21H2,1-3H3,(H,38,41)/t25-,28-,29-,30+,31+,32-/m1/s1 HXZAKSZKAREBFC-BGLHFFMUSA-N 50357735 CHEMBL1915994 Beta-secretase 1 Homo sapiens 5.7 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11642873 136961759 CHEMBL1915994 ZINC73160643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197377 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1 InChI=1S/C36H45F2N3O4/c1-24(2)16-28-14-15-41(36(28)44)33(13-12-25-8-5-4-6-9-25)35(43)40-32(20-27-17-29(37)21-30(38)18-27)34(42)23-39-22-26-10-7-11-31(19-26)45-3/h4-11,17-19,21,24,28,32-34,39,42H,12-16,20,22-23H2,1-3H3,(H,40,43)/t28-,32+,33+,34-/m1/s1 SNDXBLGCUUUDPP-XZLGBSMGSA-N 50357706 CHEMBL1915976 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403385 136961730 CHEMBL1915976 ZINC73168234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197378 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](COC)C1=O InChI=1S/C32H43F2N3O5/c1-3-13-42-26-18-27(35-19-26)30(38)28(16-22-14-24(33)17-25(34)15-22)36-31(39)29(10-9-21-7-5-4-6-8-21)37-12-11-23(20-41-2)32(37)40/h4-8,14-15,17,23,26-30,35,38H,3,9-13,16,18-20H2,1-2H3,(H,36,39)/t23-,26-,27-,28+,29+,30-/m1/s1 XIOCYSCUCXBALF-CYARFFJQSA-N 50357736 CHEMBL1915995 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396342 136961760 CHEMBL1915995 ZINC73160646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197379 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H]([C@H](O)CCC)C1=O InChI=1S/C34H47F2N3O5/c1-3-8-31(40)27-13-14-39(34(27)43)30(12-11-22-9-6-5-7-10-22)33(42)38-29(18-23-16-24(35)19-25(36)17-23)32(41)28-20-26(21-37-28)44-15-4-2/h5-7,9-10,16-17,19,26-32,37,40-41H,3-4,8,11-15,18,20-21H2,1-2H3,(H,38,42)/t26-,27-,28-,29+,30+,31-,32-/m1/s1 XXIRTBPDSKEUAH-BOSRKNLLSA-N 50357737 CHEMBL1915996 Beta-secretase 1 Homo sapiens 4.7 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392862 136961761 CHEMBL1915996 ZINC82138049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197380 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C(F)(F)F)C1=O)NC(C)=O InChI=1S/C41H49F5N4O5/c1-4-25(2)40(49-26(3)51)15-16-50(39(40)54)36(14-13-27-9-6-5-7-10-27)38(53)48-35(20-29-18-31(42)21-32(43)19-29)37(52)34-22-33(23-47-34)55-24-28-11-8-12-30(17-28)41(44,45)46/h5-12,17-19,21,25,33-37,47,52H,4,13-16,20,22-24H2,1-3H3,(H,48,53)(H,49,51)/t25?,33-,34-,35+,36+,37-,40+/m1/s1 FAJUKEHUTZFPSJ-OGBHQHSVSA-N 50357716 CHEMBL1916166 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621924 136961740 CHEMBL1916166 ZINC95548869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197381 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O InChI=1S/C27H41F2N3O4/c1-4-6-7-19-8-9-32(27(19)35)17(3)26(34)31-24(13-18-11-20(28)14-21(29)12-18)25(33)23-15-22(16-30-23)36-10-5-2/h11-12,14,17,19,22-25,30,33H,4-10,13,15-16H2,1-3H3,(H,31,34)/t17-,19-,22+,23+,24-,25+/m0/s1 NCNBQNSEYDEPDM-NNMAOJKYSA-N 50357738 CHEMBL1915997 Beta-secretase 1 Homo sapiens 87 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11677867 136961762 CHEMBL1915997 ZINC73167735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197382 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C#N)C1=O)NC(C)=O InChI=1S/C41H49F2N5O5/c1-4-26(2)41(47-27(3)49)15-16-48(40(41)52)37(14-13-28-9-6-5-7-10-28)39(51)46-36(20-31-18-32(42)21-33(43)19-31)38(50)35-22-34(24-45-35)53-25-30-12-8-11-29(17-30)23-44/h5-12,17-19,21,26,34-38,45,50H,4,13-16,20,22,24-25H2,1-3H3,(H,46,51)(H,47,49)/t26?,34-,35-,36+,37+,38-,41+/m1/s1 WHJDHEFEUPUHMG-JRNHVIPRSA-N 50357717 CHEMBL1916167 Beta-secretase 1 Homo sapiens 4.2 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11556734 136961741 CHEMBL1916167 ZINC82137976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197383 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccc(F)cc2)C1=O)NC(C)=O InChI=1S/C40H49F3N4O5/c1-4-25(2)40(46-26(3)48)16-17-47(39(40)51)36(15-12-27-8-6-5-7-9-27)38(50)45-35(20-29-18-31(42)21-32(43)19-29)37(49)34-22-33(23-44-34)52-24-28-10-13-30(41)14-11-28/h5-11,13-14,18-19,21,25,33-37,44,49H,4,12,15-17,20,22-24H2,1-3H3,(H,45,50)(H,46,48)/t25?,33-,34-,35+,36+,37-,40+/m1/s1 PYFPQNUDNPPKCN-OGBHQHSVSA-N 50357718 CHEMBL1916168 Beta-secretase 1 Homo sapiens 8.9 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11679286 136961742 CHEMBL1916168 ZINC82137996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197384 CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C36H45F2N3O5/c1-3-8-33(42)30-15-16-41(36(30)45)32(14-13-24-9-5-4-6-10-24)35(44)40-31(20-26-17-27(37)21-28(38)18-26)34(43)23-39-22-25-11-7-12-29(19-25)46-2/h4-7,9-12,17-19,21,30-34,39,42-43H,3,8,13-16,20,22-23H2,1-2H3,(H,40,44)/t30-,31+,32+,33-,34-/m1/s1 ZRBJRIFNTXBCRI-BWNLSPMZSA-N 50357721 CHEMBL1915978 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403387 136961745 CHEMBL1915978 ZINC82138074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197385 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 InChI=1S/C31H40F2N4O5/c1-19(37-10-9-31(30(37)41,36-20(2)38)16-21-7-8-21)29(40)35-27(14-23-11-24(32)15-25(33)12-23)28(39)18-34-17-22-5-4-6-26(13-22)42-3/h4-6,11-13,15,19,21,27-28,34,39H,7-10,14,16-18H2,1-3H3,(H,35,40)(H,36,38)/t19-,27-,28+,31-/m0/s1 PZJBTJGORPCYGH-OKDYYHMFSA-N 50357722 CHEMBL1915979 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392936 136961746 CHEMBL1915979 ZINC73167887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197386 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](C(C)C)C1=O InChI=1S/C26H39F2N3O4/c1-5-8-35-20-13-22(29-14-20)24(32)23(11-17-9-18(27)12-19(28)10-17)30-25(33)16(4)31-7-6-21(15(2)3)26(31)34/h9-10,12,15-16,20-24,29,32H,5-8,11,13-14H2,1-4H3,(H,30,33)/t16-,20+,21+,22+,23-,24+/m0/s1 IBXXTGWKFIXDPT-IRYAZXERSA-N 50357739 CHEMBL1915998 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394592 136961763 CHEMBL1915998 ZINC73167738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197387 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1=O InChI=1S/C27H41F2N3O4/c1-5-8-36-22-14-23(30-15-22)25(33)24(12-18-10-20(28)13-21(29)11-18)31-26(34)17(4)32-7-6-19(27(32)35)9-16(2)3/h10-11,13,16-17,19,22-25,30,33H,5-9,12,14-15H2,1-4H3,(H,31,34)/t17-,19+,22+,23+,24-,25+/m0/s1 BJPUGAOPNNOBLI-GISBNZKNSA-N 50357740 CHEMBL1915999 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11504414 136961764 CHEMBL1915999 ZINC43127625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197388 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H]([C@H](O)CCC)C1=O InChI=1S/C27H41F2N3O5/c1-4-6-24(33)21-7-8-32(27(21)36)16(3)26(35)31-23(12-17-10-18(28)13-19(29)11-17)25(34)22-14-20(15-30-22)37-9-5-2/h10-11,13,16,20-25,30,33-34H,4-9,12,14-15H2,1-3H3,(H,31,35)/t16-,20+,21+,22+,23-,24+,25+/m0/s1 XCHFFXDCKJJIKQ-APIVQFLDSA-N 50357741 CHEMBL1916000 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399790 136961765 CHEMBL1916000 ZINC73168881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197389 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O)NC(C)=O InChI=1S/C33H44F2N4O5/c1-4-20(2)33(38-21(3)40)12-13-39(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)37-28(30(42)27-18-26(41)19-36-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,36,41-42H,4,10-13,16,18-19H2,1-3H3,(H,37,43)(H,38,40)/t20?,26-,27-,28+,29+,30-,33+/m1/s1 LAMCTYMUFVYFER-TWRNEFRHSA-N 50357742 CHEMBL1916001 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11628699 136961766 CHEMBL1916001 ZINC73163565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197390 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O InChI=1S/C31H41F2N3O4/c1-2-3-9-22-12-13-36(31(22)40)28(11-10-20-7-5-4-6-8-20)30(39)35-27(29(38)26-18-25(37)19-34-26)16-21-14-23(32)17-24(33)15-21/h4-8,14-15,17,22,25-29,34,37-38H,2-3,9-13,16,18-19H2,1H3,(H,35,39)/t22-,25+,26+,27-,28-,29+/m0/s1 JZIFFYJEFQCCJY-NTVBGXBNSA-N 50357743 CHEMBL1916002 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399791 136961767 CHEMBL1916002 ZINC73390754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197391 CC(C)C[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O InChI=1S/C29H38F2N4O4/c1-17(2)10-20-7-9-35(29(20)38)18(3)28(37)34-25(13-19-11-21(30)14-22(31)12-19)27(36)24-15-23(16-33-24)39-26-6-4-5-8-32-26/h4-6,8,11-12,14,17-18,20,23-25,27,33,36H,7,9-10,13,15-16H2,1-3H3,(H,34,37)/t18-,20+,23+,24+,25-,27+/m0/s1 OMRUCWQDVCCDPB-OLPGIOPVSA-N 50357749 CHEMBL1916162 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394700 136961773 CHEMBL1916162 ZINC82149179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197392 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](N)CN2)C1=O)NC(C)=O InChI=1S/C33H45F2N5O4/c1-4-20(2)33(39-21(3)41)12-13-40(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)38-28(30(42)27-18-26(36)19-37-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,37,42H,4,10-13,16,18-19,36H2,1-3H3,(H,38,43)(H,39,41)/t20?,26-,27-,28+,29+,30-,33+/m1/s1 XOYZPRDIMSHLPA-TWRNEFRHSA-N 50357714 CHEMBL1916163 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403404 136961738 CHEMBL1916163 ZINC73164895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197393 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](N)CN2)C1=O)NC(C)=O InChI=1S/C33H45F2N5O4/c1-4-20(2)33(39-21(3)41)12-13-40(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)38-28(30(42)27-18-26(36)19-37-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,37,42H,4,10-13,16,18-19,36H2,1-3H3,(H,38,43)(H,39,41)/t20?,26-,27+,28-,29-,30+,33-/m0/s1 XOYZPRDIMSHLPA-MRWURJTPSA-N 50357715 CHEMBL1916164 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392956 136961739 CHEMBL1916164 ZINC73164902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197394 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)C1=O)NC(C)=O InChI=1S/C40H50F2N4O5/c1-4-26(2)40(45-27(3)47)17-18-46(39(40)50)36(16-15-28-11-7-5-8-12-28)38(49)44-35(21-30-19-31(41)22-32(42)20-30)37(48)34-23-33(24-43-34)51-25-29-13-9-6-10-14-29/h5-14,19-20,22,26,33-37,43,48H,4,15-18,21,23-25H2,1-3H3,(H,44,49)(H,45,47)/t26?,33-,34-,35+,36+,37-,40+/m1/s1 CSMGKZHGVDOCQO-GNHNZFDNSA-N 50357750 CHEMBL1916165 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399899 136961774 CHEMBL1916165 ZINC82138027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197395 CCC(C)[C@]1(CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O InChI=1S/C26H38F2N4O5/c1-5-14(2)26(31-16(4)33)6-7-32(25(26)37)15(3)24(36)30-22(23(35)21-12-20(34)13-29-21)10-17-8-18(27)11-19(28)9-17/h8-9,11,14-15,20-23,29,34-35H,5-7,10,12-13H2,1-4H3,(H,30,36)(H,31,33)/t14?,15-,20-,21+,22-,23+,26-/m0/s1 QPTJRBQKRLMQEY-YNVDWLBKSA-N 50357708 CHEMBL1916006 Beta-secretase 1 Homo sapiens >660 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401559 136961732 CHEMBL1916006 ZINC73167389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197396 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O)NC(C)=O InChI=1S/C38H47F2N5O5/c1-4-24(2)38(44-25(3)46)15-17-45(37(38)49)33(14-13-26-10-6-5-7-11-26)36(48)43-32(20-27-18-28(39)21-29(40)19-27)35(47)31-22-30(23-42-31)50-34-12-8-9-16-41-34/h5-12,16,18-19,21,24,30-33,35,42,47H,4,13-15,17,20,22-23H2,1-3H3,(H,43,48)(H,44,46)/t24?,30-,31-,32+,33+,35-,38+/m1/s1 KJMWIIZCJOFKRK-ZTZATMENSA-N 50357712 CHEMBL1916158 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11650532 136961736 CHEMBL1916158 ZINC82137942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197397 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](C(C)C)C2=O)c1 InChI=1S/C28H37F2N3O4/c1-17(2)24-8-9-33(28(24)36)18(3)27(35)32-25(13-20-10-21(29)14-22(30)11-20)26(34)16-31-15-19-6-5-7-23(12-19)37-4/h5-7,10-12,14,17-18,24-26,31,34H,8-9,13,15-16H2,1-4H3,(H,32,35)/t18-,24+,25-,26+/m0/s1 UQKUYECLNCZEAK-YSQWDHOWSA-N 50357724 CHEMBL1915981 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403388 136961748 CHEMBL1915981 ZINC73168944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197398 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C24H35F2N3O4/c1-3-4-5-16-6-7-29(24(16)33)14(2)23(32)28-21(22(31)20-12-19(30)13-27-20)10-15-8-17(25)11-18(26)9-15/h8-9,11,14,16,19-22,27,30-31H,3-7,10,12-13H2,1-2H3,(H,28,32)/t14-,16-,19-,20+,21-,22+/m0/s1 SREKHYYKSXMTLV-ZQKSUZJASA-N 50357709 CHEMBL1916007 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394593 136961733 CHEMBL1916007 ZINC73168647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197402 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](CC(C)C)C2=O)c1 InChI=1S/C29H39F2N3O4/c1-18(2)10-22-8-9-34(29(22)37)19(3)28(36)33-26(14-21-11-23(30)15-24(31)12-21)27(35)17-32-16-20-6-5-7-25(13-20)38-4/h5-7,11-13,15,18-19,22,26-27,32,35H,8-10,14,16-17H2,1-4H3,(H,33,36)/t19-,22+,26-,27+/m0/s1 CDPZXZPLCSENLY-OCPVPXFWSA-N 50357725 CHEMBL1915982 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392937 136961749 CHEMBL1915982 ZINC73164258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197404 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2cccnc2)C1=O)NC(C)=O InChI=1S/C38H47F2N5O5/c1-4-24(2)38(44-25(3)46)14-16-45(37(38)49)34(13-12-26-9-6-5-7-10-26)36(48)43-33(19-27-17-28(39)20-29(40)18-27)35(47)32-21-31(23-42-32)50-30-11-8-15-41-22-30/h5-11,15,17-18,20,22,24,31-35,42,47H,4,12-14,16,19,21,23H2,1-3H3,(H,43,48)(H,44,46)/t24?,31-,32-,33+,34+,35-,38+/m1/s1 MOVPTFOREGYDPM-XJKZSDIESA-N 50357713 CHEMBL1916159 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11621744 136961737 CHEMBL1916159 ZINC82137944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197405 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O InChI=1S/C36H44F2N4O4/c1-2-3-11-26-15-17-42(36(26)45)32(14-13-24-9-5-4-6-10-24)35(44)41-31(20-25-18-27(37)21-28(38)19-25)34(43)30-22-29(23-40-30)46-33-12-7-8-16-39-33/h4-10,12,16,18-19,21,26,29-32,34,40,43H,2-3,11,13-15,17,20,22-23H2,1H3,(H,41,44)/t26-,29+,30+,31-,32-,34+/m0/s1 FZIQKNHVTXYMDZ-JCLCBAPDSA-N 50357747 CHEMBL1916160 Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57398246 136961771 CHEMBL1916160 ZINC82137945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197406 COC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C27H35F2N3O5/c1-17(32-8-7-20(16-36-2)27(32)35)26(34)31-24(12-19-9-21(28)13-22(29)10-19)25(33)15-30-14-18-5-4-6-23(11-18)37-3/h4-6,9-11,13,17,20,24-25,30,33H,7-8,12,14-16H2,1-3H3,(H,31,34)/t17-,20+,24-,25+/m0/s1 AAAGFCUDAXPDAA-CIQZPUONSA-N 50357726 CHEMBL1915983 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57392861 136961750 CHEMBL1915983 ZINC73164262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197407 CC(C)C[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O InChI=1S/C36H44F2N4O4/c1-23(2)16-26-13-15-42(36(26)45)32(12-11-24-8-4-3-5-9-24)35(44)41-31(19-25-17-27(37)20-28(38)18-25)34(43)30-21-29(22-40-30)46-33-10-6-7-14-39-33/h3-10,14,17-18,20,23,26,29-32,34,40,43H,11-13,15-16,19,21-22H2,1-2H3,(H,41,44)/t26-,29-,30-,31+,32+,34-/m1/s1 XUDKRDYEFWKYOR-YLBSFMFUSA-N 50357748 CHEMBL1916161 Beta-secretase 1 Homo sapiens 510 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401671 136961772 CHEMBL1916161 ZINC82137946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197409 CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C29H39F2N3O5/c1-4-6-26(35)24-9-10-34(29(24)38)18(2)28(37)33-25(14-20-11-21(30)15-22(31)12-20)27(36)17-32-16-19-7-5-8-23(13-19)39-3/h5,7-8,11-13,15,18,24-27,32,35-36H,4,6,9-10,14,16-17H2,1-3H3,(H,33,37)/t18-,24+,25-,26+,27+/m0/s1 YCOXCOQIJGLYOQ-VDZGFAOQSA-N 50357727 CHEMBL1915984 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399788 136961751 CHEMBL1915984 ZINC73142038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197410 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O InChI=1S/C31H41F2N3O4/c1-2-3-9-22-12-13-36(31(22)40)28(11-10-20-7-5-4-6-8-20)30(39)35-27(29(38)26-18-25(37)19-34-26)16-21-14-23(32)17-24(33)15-21/h4-8,14-15,17,22,25-29,34,37-38H,2-3,9-13,16,18-19H2,1H3,(H,35,39)/t22-,25+,26+,27-,28-,29+/m0/s1 JZIFFYJEFQCCJY-NTVBGXBNSA-N 50357743 CHEMBL1916002 Beta-secretase 1 Homo sapiens 650 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399791 136961767 CHEMBL1916002 ZINC73390754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197412 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-24(2)22-38(43-25(3)45)15-16-44(37(38)48)34(14-13-26-9-5-4-6-10-26)36(47)42-33(19-27-17-30(39)21-31(40)18-27)35(46)32-20-28-11-7-8-12-29(28)23-41-32/h4-12,17-18,21,24,32-35,41,46H,13-16,19-20,22-23H2,1-3H3,(H,42,47)(H,43,45)/t32-,33+,34+,35-,38+/m1/s1 JJJDOYFRIVNWHV-WUCUQKTKSA-N 50357728 CHEMBL1915985 Beta-secretase 1 Homo sapiens 8.6 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search PB8 3SKG 24997667 136961752 CHEMBL1915985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197413 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O InChI=1S/C33H44F2N4O5/c1-4-20(2)33(38-21(3)40)12-13-39(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)37-28(30(42)27-18-26(41)19-36-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,36,41-42H,4,10-13,16,18-19H2,1-3H3,(H,37,43)(H,38,40)/t20?,26-,27+,28-,29-,30+,33-/m0/s1 LAMCTYMUFVYFER-MRWURJTPSA-N 50357744 CHEMBL1916003 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11505418 136961768 CHEMBL1916003 ZINC73161012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197428 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O InChI=1S/C38H46F2N4O4/c1-4-24(2)38(43-25(3)45)16-17-44(37(38)48)34(15-14-26-10-6-5-7-11-26)36(47)42-33(20-27-18-30(39)22-31(40)19-27)35(46)32-21-28-12-8-9-13-29(28)23-41-32/h5-13,18-19,22,24,32-35,41,46H,4,14-17,20-21,23H2,1-3H3,(H,42,47)(H,43,45)/t24?,32-,33+,34+,35-,38+/m1/s1 XLKDNRYXYLCLKU-BJHRAMSHSA-N 50357729 CHEMBL1915986 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403311 136961753 CHEMBL1915986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197429 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C31H41F2N3O4/c1-2-3-9-22-12-13-36(31(22)40)28(11-10-20-7-5-4-6-8-20)30(39)35-27(29(38)26-18-25(37)19-34-26)16-21-14-23(32)17-24(33)15-21/h4-8,14-15,17,22,25-29,34,37-38H,2-3,9-13,16,18-19H2,1H3,(H,35,39)/t22-,25-,26+,27-,28-,29+/m0/s1 JZIFFYJEFQCCJY-GHNNSOBRSA-N 50357745 CHEMBL1916004 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391075 136961769 CHEMBL1916004 ZINC73162307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197430 CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C24H35F2N3O5/c1-3-4-21(31)18-5-6-29(24(18)34)13(2)23(33)28-20(22(32)19-11-17(30)12-27-19)9-14-7-15(25)10-16(26)8-14/h7-8,10,13,17-22,27,30-32H,3-6,9,11-12H2,1-2H3,(H,28,33)/t13-,17-,18+,19+,20-,21+,22+/m0/s1 ZETIFIIPHSQINF-PMBRNAONSA-N 50357710 CHEMBL1916156 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403403 136961734 CHEMBL1916156 ZINC73196687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197431 CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O InChI=1S/C31H41F2N3O5/c1-2-6-28(38)24-11-12-36(31(24)41)27(10-9-19-7-4-3-5-8-19)30(40)35-26(29(39)25-17-23(37)18-34-25)15-20-13-21(32)16-22(33)14-20/h3-5,7-8,13-14,16,23-29,34,37-39H,2,6,9-12,15,17-18H2,1H3,(H,35,40)/t23-,24+,25+,26-,27-,28+,29+/m0/s1 BJLXWUUPRPJDFP-WKKCFTSASA-N 50357746 CHEMBL1916005 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401558 136961770 CHEMBL1916005 ZINC73168644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197432 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccc2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-4-25(2)39(44-26(3)46)17-18-45(38(39)49)35(16-15-27-11-7-5-8-12-27)37(48)43-34(21-28-19-29(40)22-30(41)20-28)36(47)33-23-32(24-42-33)50-31-13-9-6-10-14-31/h5-14,19-20,22,25,32-36,42,47H,4,15-18,21,23-24H2,1-3H3,(H,43,48)(H,44,46)/t25?,32-,33-,34+,35+,36-,39+/m1/s1 PVYCGZPNCKAIJN-BGUFJGJISA-N 50357711 CHEMBL1916157 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11679203 136961735 CHEMBL1916157 ZINC82139932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197433 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32-,33+,34+,36-,39+/m1/s1 PBXQNTXVQOUXNO-YVNOHHSUSA-N 50357730 CHEMBL1915989 Beta-secretase 1 Homo sapiens 4.2 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396340 136961754 CHEMBL1915989 ZINC82139836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197434 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@@](CC(C)C)(NC(C)=O)C1=O InChI=1S/C36H50F2N4O5/c1-5-15-47-29-20-30(39-22-29)33(44)31(18-26-16-27(37)19-28(38)17-26)40-34(45)32(12-11-25-9-7-6-8-10-25)42-14-13-36(35(42)46,21-23(2)3)41-24(4)43/h6-10,16-17,19,23,29-33,39,44H,5,11-15,18,20-22H2,1-4H3,(H,40,45)(H,41,43)/t29-,30-,31+,32+,33-,36+/m1/s1 LPZOLMFQGUDKQH-ZXWXCOCLSA-N 50357731 CHEMBL1915990 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search PB0 3R2F 11578322 136961755 CHEMBL1915990 ZINC82140785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197435 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O InChI=1S/C38H48F2N4O5/c1-5-25(2)38(43-26(3)45)16-17-44(37(38)48)34(15-14-27-10-7-6-8-11-27)36(47)42-33(21-29-18-30(39)22-31(40)19-29)35(46)24-41-23-28-12-9-13-32(20-28)49-4/h6-13,18-20,22,25,33-35,41,46H,5,14-17,21,23-24H2,1-4H3,(H,42,47)(H,43,45)/t25?,33-,34-,35+,38-/m0/s1 RCAZOLSIRITUKZ-VHVJLOLGSA-N 50357489 CHEMBL1914472 Beta-secretase 1 Homo sapiens 6.1 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9917907 136961513 CHEMBL1914472 ZINC82138107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197436 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O InChI=1S/C36H50F2N4O5/c1-5-16-47-29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30-,31+,32+,33-,36+/m1/s1 NIJRXGKMRCWJPW-FFFUPCJUSA-N 50357732 CHEMBL1915991 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396341 136961756 CHEMBL1915991 ZINC82140793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197437 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 InChI=1S/C38H46F2N4O5/c1-25(45)43-38(22-27-11-12-27)15-16-44(37(38)48)34(14-13-26-7-4-3-5-8-26)36(47)42-33(20-29-17-30(39)21-31(40)18-29)35(46)24-41-23-28-9-6-10-32(19-28)49-2/h3-10,17-19,21,27,33-35,41,46H,11-16,20,22-24H2,1-2H3,(H,42,47)(H,43,45)/t33-,34-,35+,38-/m0/s1 FLLNPTJXMMMUIQ-FMOZQJFPSA-N 50357703 CHEMBL1915751 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57402628 136961727 CHEMBL1915751 ZINC82138105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197367 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32-,33+,34+,36-,39+/m1/s1 PBXQNTXVQOUXNO-YVNOHHSUSA-N 50357730 CHEMBL1915989 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396340 136961754 CHEMBL1915989 ZINC82139836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197368 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@@](CC(C)C)(NC(C)=O)C1=O InChI=1S/C36H50F2N4O5/c1-5-15-47-29-20-30(39-22-29)33(44)31(18-26-16-27(37)19-28(38)17-26)40-34(45)32(12-11-25-9-7-6-8-10-25)42-14-13-36(35(42)46,21-23(2)3)41-24(4)43/h6-10,16-17,19,23,29-33,39,44H,5,11-15,18,20-22H2,1-4H3,(H,40,45)(H,41,43)/t29-,30-,31+,32+,33-,36+/m1/s1 LPZOLMFQGUDKQH-ZXWXCOCLSA-N 50357731 CHEMBL1915990 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search PB0 3R2F 11578322 136961755 CHEMBL1915990 ZINC82140785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197369 COC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O InChI=1S/C34H41F2N3O5/c1-43-22-26-13-14-39(34(26)42)31(12-11-23-7-4-3-5-8-23)33(41)38-30(18-25-15-27(35)19-28(36)16-25)32(40)21-37-20-24-9-6-10-29(17-24)44-2/h3-10,15-17,19,26,30-32,37,40H,11-14,18,20-22H2,1-2H3,(H,38,41)/t26-,30+,31+,32-/m1/s1 LVFMRCNROUBZAJ-SSHYCOHZSA-N 50357707 CHEMBL1915977 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2011.06.109 10.7270/Q2J38T0K 21782431 Boy, KM; Guernon, JM; Shi, J; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Marcinkeviciene, J; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Lentz, KA; Bronson, JJ; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57403386 136961731 CHEMBL1915977 ZINC73169081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199696 CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3 JZYHWZHQIZWTRL-UHFFFAOYSA-N 50361662 CHEMBL1940612 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm200691d 10.7270/Q2V40VNM 22054058 Bolognesi, ML; Chiriano, G; Bartolini, M; Mancini, F; Bottegoni, G; Maestri, V; Czvitkovich, S; Windisch, M; Cavalli, A; Minarini, A; Rosini, M; Tumiatti, V; Andrisano, V; Melchiorre, C University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91930474 136965724 CHEMBL1940612 ZINC73221374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199697 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 RQNDBCCGDQWADT-UHFFFAOYSA-N 50231951 2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL231160::memoquin Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1021/jm200691d 10.7270/Q2V40VNM 22054058 Bolognesi, ML; Chiriano, G; Bartolini, M; Mancini, F; Bottegoni, G; Maestri, V; Czvitkovich, S; Windisch, M; Cavalli, A; Minarini, A; Rosini, M; Tumiatti, V; Andrisano, V; Melchiorre, C University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91615478 104055375 CHEMBL231160 ZINC34803904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50199698 CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3 JZYHWZHQIZWTRL-UHFFFAOYSA-N 50361662 CHEMBL1940612 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/jm200691d 10.7270/Q2V40VNM 22054058 Bolognesi, ML; Chiriano, G; Bartolini, M; Mancini, F; Bottegoni, G; Maestri, V; Czvitkovich, S; Windisch, M; Cavalli, A; Minarini, A; Rosini, M; Tumiatti, V; Andrisano, V; Melchiorre, C University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50361662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50361662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91930474 136965724 CHEMBL1940612 ZINC73221374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50197555 C[C@H](CC(=O)[C@]1(CO1)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3 InChI=1S/C34H50O8/c1-19(16-25(35)34(18-41-34)20(2)29(39)40)21-10-14-33(7)23-8-9-24-30(3,4)26(42-28(38)17-27(36)37)12-13-31(24,5)22(23)11-15-32(21,33)6/h19-21,24,26H,8-18H2,1-7H3,(H,36,37)(H,39,40)/t19-,20-,21-,24+,26-,31-,32-,33+,34+/m1/s1 UOZTWTULJLBLLH-YOHNSYMGSA-N 50357880 CHEMBL1916315 Beta-secretase 1 Homo sapiens 14200 ChEMBL 10.1016/j.bmc.2011.09.029 10.7270/Q2W959MG 21992804 Sorribas, A; Jimenez, JI; Yoshida, WY; Williams, PG University of Hawaii at Manoa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57391110 136961904 CHEMBL1916315 C01656 ZINC73158527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198732 CN1CC(C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26) IBPGEEKFYIPLRV-UHFFFAOYSA-N 50359203 CHEMBL1923297 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53262012 136963227 CHEMBL1923297 ZINC73169383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198733 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 InChI=1S/C18H20N6O2/c1-11-8-21-14(9-20-11)16(25)22-13-6-4-5-12(7-13)18(2)17(26)24(3)10-15(19)23-18/h4-9H,10H2,1-3H3,(H2,19,23)(H,22,25) KCOOVJJAMOPFEY-UHFFFAOYSA-N 50359201 CHEMBL1923296 Beta-secretase 1 Homo sapiens 7079 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760130 136963225 CHEMBL1923296 ZINC73168777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198734 CN1CC(C)(N=C(N)C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(10-24(2)17(26)15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25) ARWLTZWIOYRTKV-UHFFFAOYSA-N 50359202 CHEMBL1921816 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56600729 136963226 CHEMBL1921816 ZINC73168781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198735 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C19H18N6O2/c1-19(18(27)25(2)11-16(21)24-19)13-4-3-5-14(8-13)23-17(26)15-7-6-12(9-20)10-22-15/h3-8,10H,11H2,1-2H3,(H2,21,24)(H,23,26) MFNPKKFGRAJHQS-UHFFFAOYSA-N 50359199 CHEMBL1923294 Beta-secretase 1 Homo sapiens 813 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760134 136963223 CHEMBL1923294 ZINC72318810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198736 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C19H18F3N5O2/c1-18(17(29)27(2)10-15(23)26-18)11-4-3-5-13(8-11)25-16(28)14-7-6-12(9-24-14)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,26)(H,25,28) SLPXAQFTHUFTML-UHFFFAOYSA-N 50359200 CHEMBL1923295 Beta-secretase 1 Homo sapiens 1380 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760133 136963224 CHEMBL1923295 ZINC72318812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198737 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 InChI=1S/C18H20N6O2/c1-11-8-21-14(9-20-11)16(25)22-13-6-4-5-12(7-13)18(2)17(26)24(3)10-15(19)23-18/h4-9H,10H2,1-3H3,(H2,19,23)(H,22,25) KCOOVJJAMOPFEY-UHFFFAOYSA-N 50359201 CHEMBL1923296 Beta-secretase 1 Homo sapiens 1259 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760130 136963225 CHEMBL1923296 ZINC73168777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198738 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C19H18F3N5O2/c1-18(17(29)27(2)10-15(23)26-18)11-4-3-5-13(8-11)25-16(28)14-7-6-12(9-24-14)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,26)(H,25,28) SLPXAQFTHUFTML-UHFFFAOYSA-N 50359200 CHEMBL1923295 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760133 136963224 CHEMBL1923295 ZINC72318812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198739 CN1CC(C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26) IBPGEEKFYIPLRV-UHFFFAOYSA-N 50359203 CHEMBL1923297 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53262012 136963227 CHEMBL1923297 ZINC73169383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198740 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C19H18N6O2/c1-19(18(27)25(2)11-16(21)24-19)13-4-3-5-14(8-13)23-17(26)15-7-6-12(9-20)10-22-15/h3-8,10H,11H2,1-2H3,(H2,21,24)(H,23,26) MFNPKKFGRAJHQS-UHFFFAOYSA-N 50359199 CHEMBL1923294 Beta-secretase 1 Homo sapiens 186 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760134 136963223 CHEMBL1923294 ZINC72318810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198741 CN1CC(C)(N=C(N)C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(10-24(2)17(26)15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25) ARWLTZWIOYRTKV-UHFFFAOYSA-N 50359202 CHEMBL1921816 Beta-secretase 1 Homo sapiens 107 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56600729 136963226 CHEMBL1921816 ZINC73168781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198742 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 InChI=1S/C18H20N6O2/c1-11-8-21-14(9-20-11)16(25)22-13-6-4-5-12(7-13)18(2)17(26)24(3)10-15(19)23-18/h4-9H,10H2,1-3H3,(H2,19,23)(H,22,25) KCOOVJJAMOPFEY-UHFFFAOYSA-N 50359201 CHEMBL1923296 Beta-secretase 1 Homo sapiens 1148 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760130 136963225 CHEMBL1923296 ZINC73168777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198743 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 InChI=1S/C19H18F3N5O2/c1-18(17(29)27(2)10-15(23)26-18)11-4-3-5-13(8-11)25-16(28)14-7-6-12(9-24-14)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,26)(H,25,28) SLPXAQFTHUFTML-UHFFFAOYSA-N 50359200 CHEMBL1923295 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760133 136963224 CHEMBL1923295 ZINC72318812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198744 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C19H18N6O2/c1-19(18(27)25(2)11-16(21)24-19)13-4-3-5-14(8-13)23-17(26)15-7-6-12(9-20)10-22-15/h3-8,10H,11H2,1-2H3,(H2,21,24)(H,23,26) MFNPKKFGRAJHQS-UHFFFAOYSA-N 50359199 CHEMBL1923294 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760134 136963223 CHEMBL1923294 ZINC72318810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198745 CN1CC(C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26) IBPGEEKFYIPLRV-UHFFFAOYSA-N 50359203 CHEMBL1923297 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53262012 136963227 CHEMBL1923297 ZINC73169383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198746 CN1CC(C)(N=C(N)C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(10-24(2)17(26)15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25) ARWLTZWIOYRTKV-UHFFFAOYSA-N 50359202 CHEMBL1921816 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56600729 136963226 CHEMBL1921816 ZINC73168781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198747 CN1CC(N)=N[C@@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1 MRYFMHAPTQCQLE-GOSISDBHSA-N 50359198 CHEMBL1923160 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 18P 3U6A 53481984 136963222 CHEMBL1923160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198748 CN1CC(N)=N[C@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m0/s1 MRYFMHAPTQCQLE-SFHVURJKSA-N 50359197 CHEMBL1923159 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760314 136963221 CHEMBL1923159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198749 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25) MRYFMHAPTQCQLE-UHFFFAOYSA-N 50359196 CHEMBL1923158 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 18P 3U6A 54760132 136963220 CHEMBL1923158 ZINC72318808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198750 CN1CC(N)=N[C@@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1 MRYFMHAPTQCQLE-GOSISDBHSA-N 50359198 CHEMBL1923160 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 18P 3U6A 53481984 136963222 CHEMBL1923160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198751 CN1CC(N)=N[C@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m0/s1 MRYFMHAPTQCQLE-SFHVURJKSA-N 50359197 CHEMBL1923159 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760314 136963221 CHEMBL1923159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198752 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25) MRYFMHAPTQCQLE-UHFFFAOYSA-N 50359196 CHEMBL1923158 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 18P 3U6A 54760132 136963220 CHEMBL1923158 ZINC72318808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198753 CN1CC(N)=N[C@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m0/s1 MRYFMHAPTQCQLE-SFHVURJKSA-N 50359197 CHEMBL1923159 Beta-secretase 1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54760314 136963221 CHEMBL1923159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198754 CN1CC(N)=N[C@@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1 MRYFMHAPTQCQLE-GOSISDBHSA-N 50359198 CHEMBL1923160 Beta-secretase 1 Homo sapiens 324 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 18P 3U6A 53481984 136963222 CHEMBL1923160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50198755 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25) MRYFMHAPTQCQLE-UHFFFAOYSA-N 50359196 CHEMBL1923158 Beta-secretase 1 Homo sapiens 447 ChEMBL 10.1016/j.bmcl.2011.10.050 10.7270/Q2JM2B14 22071305 Tresadern, G; Delgado, F; Delgado, O; Gijsen, H; Macdonald, GJ; Moechars, D; Rombouts, F; Alexander, R; Spurlino, J; Van Gool, M; Vega, JA; Trabanco, AA Research Informatics & Integrative Genomics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 18P 3U6A 54760132 136963220 CHEMBL1923158 ZINC72318808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217633 CN(C1CCCCC1)C(=O)CC[C@H](N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1ccccc1 InChI=1S/C31H36N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h2,4-6,9-12,15-18,21,25,29H,3,7-8,13-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 OOJIYTUNYKFPER-LJAQVGFWSA-N 50389522 CHEMBL2063196 Beta-secretase 1 Homo sapiens 164 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696917 160868605 CHEMBL2063196 ZINC84728898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217634 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 JKQCQYBXDQPJNC-LJAQVGFWSA-N 17786 (4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide::2-aminoquinazoline, 3a Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3MR 2Q15 16741239 46517940 ZINC10339556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217635 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217636 Cc1[nH]ncc1CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C35H46N6O2/c1-25-28(22-37-39-25)24-40(29-13-7-3-8-14-29)34(42)20-19-33(26-11-5-2-6-12-26)41-23-27-21-31(17-18-32(27)38-35(41)36)43-30-15-9-4-10-16-30/h4,9-10,15-18,21-22,26,29,33H,2-3,5-8,11-14,19-20,23-24H2,1H3,(H2,36,38)(H,37,39)/t33-/m0/s1 YAUSWTKLGZTLTH-XIFFEERXSA-N 50389520 CHEMBL2063209 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688626 160868603 CHEMBL2063209 ZINC84669686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217637 NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1 InChI=1S/C34H44N6O2/c35-34-38-31-17-16-30(42-29-14-8-3-9-15-29)20-27(31)24-40(34)32(26-10-4-1-5-11-26)18-19-33(41)39(23-25-21-36-37-22-25)28-12-6-2-7-13-28/h3,8-9,14-17,20-22,26,28,32H,1-2,4-7,10-13,18-19,23-24H2,(H2,35,38)(H,36,37)/t32-/m0/s1 VBHFMVGPXTYUIR-YTTGMZPUSA-N 50389519 CHEMBL2063208 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694863 160868602 CHEMBL2063208 ZINC84669685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217638 Cn1cc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cn1 InChI=1S/C35H46N6O2/c1-39-23-26(22-37-39)24-40(29-13-7-3-8-14-29)34(42)20-19-33(27-11-5-2-6-12-27)41-25-28-21-31(17-18-32(28)38-35(41)36)43-30-15-9-4-10-16-30/h4,9-10,15-18,21-23,27,29,33H,2-3,5-8,11-14,19-20,24-25H2,1H3,(H2,36,38)/t33-/m0/s1 OMNJRDJYVSDTRG-XIFFEERXSA-N 50389518 CHEMBL2063207 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688625 160868601 CHEMBL2063207 ZINC84670405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217639 COCc1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 InChI=1S/C36H47N5O3S/c1-43-24-34-38-28(25-45-34)23-40(29-13-7-3-8-14-29)35(42)20-19-33(26-11-5-2-6-12-26)41-22-27-21-31(17-18-32(27)39-36(41)37)44-30-15-9-4-10-16-30/h4,9-10,15-18,21,25-26,29,33H,2-3,5-8,11-14,19-20,22-24H2,1H3,(H2,37,39)/t33-/m0/s1 IMDUBFJHSLNSIL-XIFFEERXSA-N 50389517 CHEMBL2063206 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684356 160868600 CHEMBL2063206 ZINC84670404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218687 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? MQWMIBOBCNOFGX-TYRCWPPYSA-N 50393100 CHEMBL2152915::US10231967, Example 125::US9918985, Example 125 Beta-secretase 1 Homo sapiens 0.720000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385371 163342124 CHEMBL2152915 ZINC95573530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218689 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23? ZTHSMBOBTMQWJX-SCTJWGJOSA-N 50393101 CHEMBL2152916::US10231967, Example 20i::US8865911, 20i::US8865911, 20i Isomer 1::US8865911, 20i Isomer 2::US9918985, Example 20i Isomer 1 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385625 163342125 CHEMBL2152916 ZINC95580434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218694 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22? BQDUISPSAOQZDJ-JOECNLHFSA-N 50393102 CHEMBL2152917::US10231967, Example 20t::US8865911, 20t::US8865911, 20t Isomer 1::US8865911, 20t Isomer 2::US9918985, Example 20t Isomer 1 Beta-secretase 1 Homo sapiens 0.560000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385877 163342126 CHEMBL2152917 ZINC95575503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219769 Cc1ccc(cc1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 FBSQSJNXSBPZNY-ROUUACIJSA-N 50397264 CHEMBL2169940 Beta-secretase 1 Homo sapiens 119000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456952 163346288 CHEMBL2169940 ZINC95553743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219770 Cc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O/c1-13-4-3-5-16(10-13)14-6-8-15(9-7-14)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 STUBOTPNCNDBOA-ROUUACIJSA-N 50397265 CHEMBL2169939 Beta-secretase 1 Homo sapiens 17100 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search B02 3VV8 66545744 163346289 CHEMBL2169939 ZINC95553010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219771 CCSc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H23N3OS/c1-3-27-17-6-4-5-16(11-17)14-7-9-15(10-8-14)18-12-19(18)20-13-21(26)25(2)22(23)24-20/h4-11,13,18-19H,3,12H2,1-2H3,(H2,23,24)/t18-,19-/m0/s1 CPVOTNHEDGYJNP-OALUTQOASA-N 50397246 CHEMBL2172802 Beta-secretase 1 Homo sapiens 9100 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458976 163346270 CHEMBL2172802 ZINC95552333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219772 Cn1c(N)nc(CCc2ccccc2)cc1=O InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15) MALAKURYZJFBLT-UHFFFAOYSA-N 50226446 2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one::CHEMBL237888 Beta-secretase 1 Homo sapiens 171000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16722358 104097102 CHEMBL237888 ZINC28826886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219773 Nc1nc(CCc2ccc3[nH]ccc3c2)cc(=O)[nH]1 InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)3-1-9-2-4-12-10(7-9)5-6-16-12/h2,4-8,16H,1,3H2,(H3,15,17,18,19) WPQMXIVLBKVNTC-UHFFFAOYSA-N 50397279 CHEMBL2172792 Beta-secretase 1 Homo sapiens 130000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453600 163346303 CHEMBL2172792 ZINC95554606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219774 Cn1c(N)nc(CCc2ccccc2)cc1=O InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15) MALAKURYZJFBLT-UHFFFAOYSA-N 50226446 2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one::CHEMBL237888 Beta-secretase 1 Homo sapiens 220000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16722358 104097102 CHEMBL237888 ZINC28826886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219775 Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21) OJPMWSXHQIEAMR-UHFFFAOYSA-N 50226449 2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL393501 Beta-secretase 1 Homo sapiens 6500 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11623676 104097105 CHEMBL393501 ZINC28826889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219776 Cn1c(N)nc(cc1=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 InChI=1S/C14H14BrN3O/c1-18-13(19)7-12(17-14(18)16)11-6-10(11)8-3-2-4-9(15)5-8/h2-5,7,10-11H,6H2,1H3,(H2,16,17)/t10-,11-/m1/s1 FNZZUITVFBKILF-GHMZBOCLSA-N 50397270 CHEMBL2169934 Beta-secretase 1 Homo sapiens 1114000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449803 163346294 CHEMBL2169934 ZINC95553871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219777 Cn1c(N)nc(cc1=O)[C@@H]1C[C@@H]1c1cccc(c1)-c1ccccc1 InChI=1S/C20H19N3O/c1-23-19(24)12-18(22-20(23)21)17-11-16(17)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,12,16-17H,11H2,1H3,(H2,21,22)/t16-,17-/m1/s1 IPEYSHXKDLIENI-IAGOWNOFSA-N 50397269 CHEMBL2169935 Beta-secretase 1 Homo sapiens 1848000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449804 163346293 CHEMBL2169935 ZINC95555462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219778 COCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H23N3O2/c1-25-21(26)12-20(24-22(25)23)19-11-18(19)16-8-6-15(7-9-16)17-5-3-4-14(10-17)13-27-2/h3-10,12,18-19H,11,13H2,1-2H3,(H2,23,24)/t18-,19-/m0/s1 FMNYFEWMCRSGEK-OALUTQOASA-N 50397245 CHEMBL2172803 Beta-secretase 1 Homo sapiens 24300 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451788 163346269 CHEMBL2172803 ZINC95554945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219779 COc1cccc(c1)-c1cccc(c1)[C@H]1C[C@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m1/s1 QECXNBWGUGUPSI-QZTJIDSGSA-N 50397268 CHEMBL2169936 Beta-secretase 1 Homo sapiens 103000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458819 163346292 CHEMBL2169936 ZINC95552705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219780 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(CC#N)c1 InChI=1S/C22H20N4O/c1-26-21(27)13-20(25-22(26)24)19-12-18(19)16-7-5-15(6-8-16)17-4-2-3-14(11-17)9-10-23/h2-8,11,13,18-19H,9,12H2,1H3,(H2,24,25)/t18-,19-/m0/s1 RYWRZWWVMHYEEG-OALUTQOASA-N 50397244 CHEMBL2172804 Beta-secretase 1 Homo sapiens 20600 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455334 163346268 CHEMBL2172804 ZINC95554869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219781 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(Br)c1 InChI=1S/C14H14BrN3O/c1-18-13(19)7-12(17-14(18)16)11-6-10(11)8-3-2-4-9(15)5-8/h2-5,7,10-11H,6H2,1H3,(H2,16,17)/t10-,11-/m0/s1 FNZZUITVFBKILF-QWRGUYRKSA-N 50397273 CHEMBL2169931 Beta-secretase 1 Homo sapiens 502000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458818 163346297 CHEMBL2169931 ZINC95557721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219782 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)-c1ccccc1 InChI=1S/C20H19N3O/c1-23-19(24)12-18(22-20(23)21)17-11-16(17)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,12,16-17H,11H2,1H3,(H2,21,22)/t16-,17-/m0/s1 IPEYSHXKDLIENI-IRXDYDNUSA-N 50397272 CHEMBL2169932 Beta-secretase 1 Homo sapiens 614000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462338 163346296 CHEMBL2169932 ZINC95552702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219783 COc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 QECXNBWGUGUPSI-ROUUACIJSA-N 50397271 CHEMBL2169933 Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B1 3VV7 66545743 163346295 CHEMBL2169933 ZINC95557316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219784 Cc1ccccc1-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O/c1-13-5-3-4-6-16(13)14-7-9-15(10-8-14)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 KOTTVSUKQAFIAE-ROUUACIJSA-N 50397266 CHEMBL2169938 Beta-secretase 1 Homo sapiens 39400 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453446 163346290 CHEMBL2169938 ZINC95552959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219785 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-23-19(24)12-18(22-20(23)21)17-11-16(17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16-17H,11H2,1H3,(H2,21,22)/t16-,17-/m0/s1 DBMVKTRRCAVWIY-IRXDYDNUSA-N 50397267 CHEMBL2169937 Beta-secretase 1 Homo sapiens 25600 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456951 163346291 CHEMBL2169937 ZINC95555556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219786 Cn1c(N)nc(cc1=O)[C@@H]1C[C@@H]1c1ccccc1 InChI=1S/C14H15N3O/c1-17-13(18)8-12(16-14(17)15)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H2,15,16)/t10-,11-/m1/s1 VTVXXFGROBMFAL-GHMZBOCLSA-N 50397277 CHEMBL2169927 Beta-secretase 1 Homo sapiens 619000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460630 163346301 CHEMBL2169927 ZINC95557665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219787 Cn1c(N)nc(cc1=O)[C@@H]1C[C@H]1c1ccccc1 InChI=1S/C14H15N3O/c1-17-13(18)8-12(16-14(17)15)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H2,15,16)/t10-,11+/m0/s1 VTVXXFGROBMFAL-WDEREUQCSA-N 50397276 CHEMBL2169928 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462337 163346300 CHEMBL2169928 ZINC95552350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219788 Cn1c(N)nc(cc1=O)[C@H]1C[C@@H]1c1ccccc1 InChI=1S/C14H15N3O/c1-17-13(18)8-12(16-14(17)15)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H2,15,16)/t10-,11+/m1/s1 VTVXXFGROBMFAL-MNOVXSKESA-N 50397275 CHEMBL2169929 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57855519 163346299 CHEMBL2169929 ZINC95556705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219789 Cn1c(N)nc(CCc2cccc(Br)c2)cc1=O InChI=1S/C13H14BrN3O/c1-17-12(18)8-11(16-13(17)15)6-5-9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3,(H2,15,16) QKBCDBDMTIPQQI-UHFFFAOYSA-N 50397274 CHEMBL2169930 Beta-secretase 1 Homo sapiens 19800 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11645215 163346298 CHEMBL2169930 ZINC35995108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219790 COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)14-8-6-13(7-9-14)15-4-3-5-16(10-15)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 LUXRTFYGLHAVBS-ROUUACIJSA-N 50397254 CHEMBL2172794 Beta-secretase 1 Homo sapiens 14300 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453602 163346278 CHEMBL2172794 ZINC95555904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219791 Cn1c(N)nc(CCc2ccc(cc2)-c2ccccc2)cc1=O InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,13H,9,12H2,1H3,(H2,20,21) NVLLOUACESTEBF-UHFFFAOYSA-N 50397263 CHEMBL2169941 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449805 163346287 CHEMBL2169941 ZINC95557351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219792 Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21) OJPMWSXHQIEAMR-UHFFFAOYSA-N 50226449 2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL393501 Beta-secretase 1 Homo sapiens 29000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11623676 104097105 CHEMBL393501 ZINC28826889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219793 CCOc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H23N3O2/c1-3-27-17-6-4-5-16(11-17)14-7-9-15(10-8-14)18-12-19(18)20-13-21(26)25(2)22(23)24-20/h4-11,13,18-19H,3,12H2,1-2H3,(H2,23,24)/t18-,19-/m0/s1 JGZJRGKLOZBSON-OALUTQOASA-N 50397253 CHEMBL2172795 Beta-secretase 1 Homo sapiens 10200 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460773 163346277 CHEMBL2172795 ZINC95554874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219794 COc1cc(ccn1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C20H20N4O2/c1-24-19(25)11-17(23-20(24)21)16-10-15(16)13-5-3-12(4-6-13)14-7-8-22-18(9-14)26-2/h3-9,11,15-16H,10H2,1-2H3,(H2,21,23)/t15-,16-/m0/s1 ZCHOEJLWCQGZOA-HOTGVXAUSA-N 50397256 CHEMBL2169916 Beta-secretase 1 Homo sapiens 116000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451786 163346280 CHEMBL2169916 ZINC95552351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219795 COc1cncc(n1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C19H19N5O2/c1-24-18(25)8-15(23-19(24)20)14-7-13(14)11-3-5-12(6-4-11)16-9-21-10-17(22-16)26-2/h3-6,8-10,13-14H,7H2,1-2H3,(H2,20,23)/t13-,14-/m0/s1 UREVBXPANLJZQJ-KBPBESRZSA-N 50397255 CHEMBL2172793 Beta-secretase 1 Homo sapiens 12600 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453601 163346279 CHEMBL2172793 ZINC95557070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219796 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22) VPYGLYRRXAUOPL-UHFFFAOYSA-N 50226453 2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL235754 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11652923 104097109 CHEMBL235754 ZINC28826892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219797 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccccc1 InChI=1S/C14H15N3O/c1-17-13(18)8-12(16-14(17)15)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H2,15,16)/t10-,11-/m0/s1 VTVXXFGROBMFAL-QWRGUYRKSA-N 50397278 CHEMBL2169926 Beta-secretase 1 Homo sapiens 157000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search B00 3VV6 66545742 163346302 CHEMBL2169926 ZINC95553844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219798 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22) VPYGLYRRXAUOPL-UHFFFAOYSA-N 50226453 2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]-3-methylpyrimidin-4(3H)-one::CHEMBL235754 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11652923 104097109 CHEMBL235754 ZINC28826892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219799 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(OCC2CC2)c1 InChI=1S/C24H25N3O2/c1-27-23(28)13-22(26-24(27)25)21-12-20(21)17-9-7-16(8-10-17)18-3-2-4-19(11-18)29-14-15-5-6-15/h2-4,7-11,13,15,20-21H,5-6,12,14H2,1H3,(H2,25,26)/t20-,21-/m0/s1 MIHSIHKTDRFHFM-SFTDATJTSA-N 50397250 CHEMBL2172798 Beta-secretase 1 Homo sapiens 34100 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451787 163346274 CHEMBL2172798 ZINC95555510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219800 CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H23N3O/c1-3-14-5-4-6-17(11-14)15-7-9-16(10-8-15)18-12-19(18)20-13-21(26)25(2)22(23)24-20/h4-11,13,18-19H,3,12H2,1-2H3,(H2,23,24)/t18-,19-/m0/s1 XQRORLDBJBDWQK-OALUTQOASA-N 50397249 CHEMBL2172799 Beta-secretase 1 Homo sapiens 23200 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453603 163346273 CHEMBL2172799 ZINC95555972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219801 CCCOc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C23H25N3O2/c1-3-11-28-18-6-4-5-17(12-18)15-7-9-16(10-8-15)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h4-10,12,14,19-20H,3,11,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1 JFQVXRRRYVYKSU-PMACEKPBSA-N 50397252 CHEMBL2172796 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458974 163346276 CHEMBL2172796 ZINC95554524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219802 CC(C)Oc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C23H25N3O2/c1-14(2)28-18-6-4-5-17(11-18)15-7-9-16(10-8-15)19-12-20(19)21-13-22(27)26(3)23(24)25-21/h4-11,13-14,19-20H,12H2,1-3H3,(H2,24,25)/t19-,20-/m0/s1 LJJJUAVUPNMRIJ-PMACEKPBSA-N 50397251 CHEMBL2172797 Beta-secretase 1 Homo sapiens 54000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462501 163346275 CHEMBL2172797 ZINC95557264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219803 CCCc1cc(=O)[nH]c(N)n1 InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11) FSYKBAWAYYELHH-UHFFFAOYSA-N 50226439 2-amino-6-propylpyrimidin-4(3H)-one::CHEMBL235825 Beta-secretase 1 Homo sapiens 2490000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV0 3HVG 22394971 104097095 CHEMBL235825 ZINC20595793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219804 CCSc1cccc(c1)-c1ccc(CCc2cc(=O)n(C)c(N)n2)cc1 InChI=1S/C21H23N3OS/c1-3-26-19-6-4-5-17(13-19)16-10-7-15(8-11-16)9-12-18-14-20(25)24(2)21(22)23-18/h4-8,10-11,13-14H,3,9,12H2,1-2H3,(H2,22,23) NNEXYEWFGSBCSE-UHFFFAOYSA-N 50397240 CHEMBL2169925 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456950 163346264 CHEMBL2169925 ZINC95552675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219805 CCCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C23H25N3O/c1-3-5-15-6-4-7-18(12-15)16-8-10-17(11-9-16)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h4,6-12,14,19-20H,3,5,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1 KEUNMVAAEVXRAF-PMACEKPBSA-N 50397248 CHEMBL2172800 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457108 163346272 CHEMBL2172800 ZINC95553033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219806 COc1cccc(n1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C20H20N4O2/c1-24-19(25)11-17(23-20(24)21)15-10-14(15)12-6-8-13(9-7-12)16-4-3-5-18(22-16)26-2/h3-9,11,14-15H,10H2,1-2H3,(H2,21,23)/t14-,15-/m0/s1 RZAPUTKYDRMAOK-GJZGRUSLSA-N 50397257 CHEMBL2169947 Beta-secretase 1 Homo sapiens 53300 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462340 163346281 CHEMBL2169947 ZINC95554847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219807 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(N)=O InChI=1S/C21H20N4O2/c1-25-19(26)11-18(24-21(25)23)17-10-16(17)13-7-5-12(6-8-13)14-3-2-4-15(9-14)20(22)27/h2-9,11,16-17H,10H2,1H3,(H2,22,27)(H2,23,24)/t16-,17-/m0/s1 MEULXHOISDFMIF-IRXDYDNUSA-N 50397241 CHEMBL2169924 Beta-secretase 1 Homo sapiens 59900 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453445 163346265 CHEMBL2169924 ZINC95557238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219808 CSc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3OS/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)14-8-6-13(7-9-14)15-4-3-5-16(10-15)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 HITRDHOZMYOHCH-ROUUACIJSA-N 50397247 CHEMBL2172801 Beta-secretase 1 Homo sapiens 14900 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458975 163346271 CHEMBL2172801 ZINC95553036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219809 Cc1csc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C19H19N3OS/c1-11-7-17(24-10-11)13-5-3-12(4-6-13)14-8-15(14)16-9-18(23)22(2)19(20)21-16/h3-7,9-10,14-15H,8H2,1-2H3,(H2,20,21)/t14-,15-/m0/s1 ZAKASYSMYUXBQI-GJZGRUSLSA-N 50397258 CHEMBL2169946 Beta-secretase 1 Homo sapiens 50700 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451612 163346282 CHEMBL2169946 ZINC95554208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220920 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 InChI=1S/C20H19Cl2N5O2S/c1-10-16(18(27-30-10)12-3-5-13(29-2)6-4-12)19(28)26-20(24)25-9-11-7-14(21)17(23)15(22)8-11/h3-8H,9,23H2,1-2H3,(H3,24,25,26,28) DPJQBOWFYJTIJB-UHFFFAOYSA-N 50398884 CHEMBL2178178 Beta-secretase 1 Homo sapiens 1030 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962911 163347908 CHEMBL2178178 ZINC43151687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220921 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C24H26Cl2N6O4/c1-13-20(21(31-36-13)15-5-7-16(35-4)8-6-15)23(34)30-24(27)28-11-14-9-17(25)22(18(26)10-14)29-19(33)12-32(2)3/h5-10H,11-12H2,1-4H3,(H,29,33)(H3,27,28,30,34) NJKMPHIKUZCXJS-UHFFFAOYSA-N 50398872 CHEMBL2178191 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58771867 163347896 CHEMBL2178191 ZINC95575278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220922 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C25H29ClN6O3S/c1-14-10-16(11-19(26)22(14)29-20(33)13-32(3)4)12-28-25(27)30-24(34)21-15(2)36-31-23(21)17-6-8-18(35-5)9-7-17/h6-11H,12-13H2,1-5H3,(H,29,33)(H3,27,28,30,34) GKFXBJKIIBJTQR-UHFFFAOYSA-N 50398869 CHEMBL2178194 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457171 163347893 CHEMBL2178194 ZINC95573953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220923 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H21Cl2N5O3S/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31) LMPLDVJAORQVGC-UHFFFAOYSA-N 50398882 CHEMBL2178180 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962961 163347906 CHEMBL2178180 ZINC43151692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220924 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C24H26Cl2N6O3S/c1-13-20(21(31-36-13)15-5-7-16(35-4)8-6-15)23(34)30-24(27)28-11-14-9-17(25)22(18(26)10-14)29-19(33)12-32(2)3/h5-10H,11-12H2,1-4H3,(H,29,33)(H3,27,28,30,34) PLMSKSIJUKAJBL-UHFFFAOYSA-N 50398870 CHEMBL2178193 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16092132 163347894 CHEMBL2178193 ZINC59998860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220925 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O3/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) DFAMLAZFSKMPLB-UHFFFAOYSA-N 50398886 CHEMBL2178200 Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941302 163347910 CHEMBL2178200 ZINC34775655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220926 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)C2CC2)c(Cl)c1 InChI=1S/C24H23Cl2N5O4/c1-12-19(20(31-35-12)14-5-7-16(34-2)8-6-14)23(33)30-24(27)28-11-13-9-17(25)21(18(26)10-13)29-22(32)15-3-4-15/h5-10,15H,3-4,11H2,1-2H3,(H,29,32)(H3,27,28,30,33) QDSFQXRCJWLPJD-UHFFFAOYSA-N 50398875 CHEMBL2178188 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460837 163347899 CHEMBL2178188 ZINC95573998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220927 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1 InChI=1S/C26H24ClN5O5/c1-14-11-16(12-19(27)22(14)30-24(33)20-5-4-10-36-20)13-29-26(28)31-25(34)21-15(2)37-32-23(21)17-6-8-18(35-3)9-7-17/h4-12H,13H2,1-3H3,(H,30,33)(H3,28,29,31,34) OTJYEIDSJZEFPN-UHFFFAOYSA-N 50398873 CHEMBL2178190 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453671 163347897 CHEMBL2178190 ZINC95576453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220928 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)C2CC2)c(Cl)c1 InChI=1S/C25H26ClN5O4/c1-13-10-15(11-19(26)21(13)29-23(32)17-4-5-17)12-28-25(27)30-24(33)20-14(2)35-31-22(20)16-6-8-18(34-3)9-7-16/h6-11,17H,4-5,12H2,1-3H3,(H,29,32)(H3,27,28,30,33) VEWKAMQFMAYRIS-UHFFFAOYSA-N 50398874 CHEMBL2178189 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462548 163347898 CHEMBL2178189 ZINC95571828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220929 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C25H26Cl2N6O3S/c1-14-21(22(32-37-14)16-4-6-17(36-2)7-5-16)24(35)31-25(28)29-12-15-10-18(26)23(19(27)11-15)30-20(34)13-33-8-3-9-33/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,30,34)(H3,28,29,31,35) ONJQQUAGPQLJGS-UHFFFAOYSA-N 50398864 CHEMBL2178164 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450032 163347888 CHEMBL2178164 ZINC95577472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220930 Cc1onc(c1C(=O)NC(N)=NCc1ccc(Cl)c(Cl)c1)-c1ccc(F)cc1 InChI=1S/C19H15Cl2FN4O2/c1-10-16(17(26-28-10)12-3-5-13(22)6-4-12)18(27)25-19(23)24-9-11-2-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H3,23,24,25,27) DWQGLLAUNIGIKL-UHFFFAOYSA-N 50398907 CHEMBL2178196 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451854 163347931 CHEMBL2178196 ZINC95576414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220931 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CNCc2ccccc2)c(Cl)c1 InChI=1S/C29H28Cl2N6O3S/c1-17-25(26(37-41-17)20-8-10-21(40-2)11-9-20)28(39)36-29(32)34-15-19-12-22(30)27(23(31)13-19)35-24(38)16-33-14-18-6-4-3-5-7-18/h3-13,33H,14-16H2,1-2H3,(H,35,38)(H3,32,34,36,39) BSBBRLXXCIAXFD-UHFFFAOYSA-N 50398868 CHEMBL2178195 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457172 163347892 CHEMBL2178195 ZINC95575084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220932 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C26H29ClN6O3S/c1-15-11-17(12-20(27)23(15)30-21(34)14-33-9-4-10-33)13-29-26(28)31-25(35)22-16(2)37-32-24(22)18-5-7-19(36-3)8-6-18/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,30,34)(H3,28,29,31,35) MAZOCELXDHAJLH-UHFFFAOYSA-N 50398863 CHEMBL2178165 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24764598 163347887 CHEMBL2178165 ZINC95579073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220933 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1ccc(Cl)c(Cl)c1 InChI=1S/C20H18Cl2N4O3/c1-11-17(18(26-29-11)13-4-6-14(28-2)7-5-13)19(27)25-20(23)24-10-12-3-8-15(21)16(22)9-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) ZRVVMVRFSRLDNU-UHFFFAOYSA-N 50398906 CHEMBL2178197 Beta-secretase 1 Homo sapiens 910 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459038 163347930 CHEMBL2178197 ZINC95580369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220934 Cc1onc(c1C(=O)NC(N)=NCc1ccc(Cl)c(Cl)c1)-c1ccccc1 InChI=1S/C19H16Cl2N4O2/c1-11-16(17(25-27-11)13-5-3-2-4-6-13)18(26)24-19(22)23-10-12-7-8-14(20)15(21)9-12/h2-9H,10H2,1H3,(H3,22,23,24,26) QUCYDIZKOIETCN-UHFFFAOYSA-N 50398908 CHEMBL2178752 Beta-secretase 1 Homo sapiens 8800 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453708 163347932 CHEMBL2178752 ZINC95578231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223132 COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1 RECVUKARQVUVBY-DEOSSOPVSA-N 50419860 CHEMBL1957471 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394835 163368884 CHEMBL1957471 ZINC73294935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223142 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C25H22Cl2N4O/c1-32-22-8-6-18(7-9-22)25(23-29-10-3-11-31(23)24(28)30-25)19-5-2-4-16(12-19)17-13-20(26)15-21(27)14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,28,30) DTEDGQCAFBVFLT-UHFFFAOYSA-N 50419872 CHEMBL1957469 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396605 163368896 CHEMBL1957469 ZINC73295432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223144 NC1=NC(C2=NCCCN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N7/c22-20-27-21(17-5-8-23-9-6-17,19-26-7-2-10-28(19)20)18-4-1-3-15(11-18)16-12-24-14-25-13-16/h1,3-6,8-9,11-14H,2,7,10H2,(H2,22,27) RFVHMPZACZMQHT-UHFFFAOYSA-N 50419867 CHEMBL1955882 Beta-secretase 1 Homo sapiens 263 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25013704 163368891 CHEMBL1955882 ZINC73312496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223149 COc1ccc(cc1C)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(F)c(c1)-c1cccnc1 InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32) YGQLOGGNUHAJMB-UHFFFAOYSA-N 50419865 CHEMBL1957478 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2QH 4NY4 57396607 163368889 CHEMBL1957478 ZINC73313174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223150 COc1ccc(cc1C)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(F)c(c1)-c1cccnc1 InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32) YGQLOGGNUHAJMB-UHFFFAOYSA-N 50419865 CHEMBL1957478 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2QH 4NY4 57396607 163368889 CHEMBL1957478 ZINC73313174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217640 CC(C)c1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 InChI=1S/C37H49N5O2S/c1-26(2)36-39-29(25-45-36)24-41(30-14-8-4-9-15-30)35(43)21-20-34(27-12-6-3-7-13-27)42-23-28-22-32(18-19-33(28)40-37(42)38)44-31-16-10-5-11-17-31/h5,10-11,16-19,22,25-27,30,34H,3-4,6-9,12-15,20-21,23-24H2,1-2H3,(H2,38,40)/t34-/m0/s1 VTXFZAQSBPURKC-UMSFTDKQSA-N 50389516 CHEMBL2063205 Beta-secretase 1 Homo sapiens 144 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692834 160868599 CHEMBL2063205 ZINC84712451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217641 Cc1nc(CCN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 InChI=1S/C36H47N5O2S/c1-26-38-29(25-44-26)21-22-40(30-13-7-3-8-14-30)35(42)20-19-34(27-11-5-2-6-12-27)41-24-28-23-32(17-18-33(28)39-36(41)37)43-31-15-9-4-10-16-31/h4,9-10,15-18,23,25,27,30,34H,2-3,5-8,11-14,19-22,24H2,1H3,(H2,37,39)/t34-/m0/s1 RBBHEFMAJYTTHI-UMSFTDKQSA-N 50389515 CHEMBL2062533 Beta-secretase 1 Homo sapiens 106 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690689 160868598 CHEMBL2062533 ZINC84712449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217642 CC(N(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1csc(C)n1 InChI=1S/C36H47N5O2S/c1-25(33-24-44-26(2)38-33)41(29-14-8-4-9-15-29)35(42)21-20-34(27-12-6-3-7-13-27)40-23-28-22-31(18-19-32(28)39-36(40)37)43-30-16-10-5-11-17-30/h5,10-11,16-19,22,24-25,27,29,34H,3-4,6-9,12-15,20-21,23H2,1-2H3,(H2,37,39)/t25?,34-/m0/s1 GLKLNERYMVOUTP-NCJJPXCVSA-N 50389514 CHEMBL2063204 Beta-secretase 1 Homo sapiens 104 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70682280 160868597 CHEMBL2063204 ZINC84712446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217643 Cc1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 InChI=1S/C35H45N5O2S/c1-25-37-28(24-43-25)23-39(29-13-7-3-8-14-29)34(41)20-19-33(26-11-5-2-6-12-26)40-22-27-21-31(17-18-32(27)38-35(40)36)42-30-15-9-4-10-16-30/h4,9-10,15-18,21,24,26,29,33H,2-3,5-8,11-14,19-20,22-23H2,1H3,(H2,36,38)/t33-/m0/s1 XIQANYWLCOBFCT-XIFFEERXSA-N 50389513 CHEMBL2063203 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692833 160868596 CHEMBL2063203 ZINC84714086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217644 Cc1nc(CN(C2CCCCC2)C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 InChI=1S/C34H43N5O3S/c1-24-36-27(23-43-24)21-38(28-13-7-3-8-14-28)34(40)41-22-32(25-11-5-2-6-12-25)39-20-26-19-30(17-18-31(26)37-33(39)35)42-29-15-9-4-10-16-29/h4,9-10,15-19,23,25,28,32H,2-3,5-8,11-14,20-22H2,1H3,(H2,35,37)/t32-/m0/s1 NBDDNMFLLUDTIY-YTTGMZPUSA-N 50389512 CHEMBL2063202 Beta-secretase 1 Homo sapiens 1463 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58443138 160868595 CHEMBL2063202 ZINC84711094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217645 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C30H40N4O3/c1-33(24-10-4-2-5-11-24)29(35)17-16-28(22-9-8-18-36-21-22)34-20-23-19-26(14-15-27(23)32-30(34)31)37-25-12-6-3-7-13-25/h3,6-7,12-15,19,22,24,28H,2,4-5,8-11,16-18,20-21H2,1H3,(H2,31,32)/t22?,28-/m0/s1 FSFHOHZRPUPLEH-WNWQKLGWSA-N 50389511 CHEMBL2063201 Beta-secretase 1 Homo sapiens 122 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688624 160868594 CHEMBL2063201 ZINC84711091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217646 CN(C1CCCCC1)C(=O)OC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C29H38N4O4/c1-32(23-10-4-2-5-11-23)29(34)36-20-27(21-9-8-16-35-19-21)33-18-22-17-25(14-15-26(22)31-28(33)30)37-24-12-6-3-7-13-24/h3,6-7,12-15,17,21,23,27H,2,4-5,8-11,16,18-20H2,1H3,(H2,30,31)/t21?,27-/m0/s1 HHTALOQRPXAMIG-YQAGWJQESA-N 50389510 CHEMBL2063200 Beta-secretase 1 Homo sapiens 104 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46239657 160868593 CHEMBL2063200 ZINC84711087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217647 NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](COC(=O)NC1CCCCC1)C1CCCCC1 InChI=1S/C29H38N4O3/c30-28-32-26-17-16-25(36-24-14-8-3-9-15-24)18-22(26)19-33(28)27(21-10-4-1-5-11-21)20-35-29(34)31-23-12-6-2-7-13-23/h3,8-9,14-18,21,23,27H,1-2,4-7,10-13,19-20H2,(H2,30,32)(H,31,34)/t27-/m0/s1 IKZSEJOAIHOBSC-MHZLTWQESA-N 50389524 CHEMBL2063199 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58443119 160868607 CHEMBL2063199 ZINC84711080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217648 CN(C1CCCCC1)C(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N InChI=1S/C30H40N4O3/c1-33(24-13-7-3-8-14-24)30(35)36-21-28(22-11-5-2-6-12-22)34-20-23-19-26(17-18-27(23)32-29(34)31)37-25-15-9-4-10-16-25/h4,9-10,15-19,22,24,28H,2-3,5-8,11-14,20-21H2,1H3,(H2,31,32)/t28-/m0/s1 XFADZMKHUVUZNL-NDEPHWFRSA-N 50389523 CHEMBL2063198 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46239761 160868606 CHEMBL2063198 ZINC84706863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217649 CN(C1CCCCC1)C(=O)OC[C@H](N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1ccccc1 InChI=1S/C30H34N4O3/c1-33(24-13-7-3-8-14-24)30(35)36-21-28(22-11-5-2-6-12-22)34-20-23-19-26(17-18-27(23)32-29(34)31)37-25-15-9-4-10-16-25/h2,4-6,9-12,15-19,24,28H,3,7-8,13-14,20-21H2,1H3,(H2,31,32)/t28-/m0/s1 ORWSXJRMNOQQPS-NDEPHWFRSA-N 50389521 CHEMBL2063197 Beta-secretase 1 Homo sapiens 783 ChEMBL 10.1016/j.bmcl.2012.07.043 10.7270/Q2BV7HQM 22863204 Ghosh, AK; Pandey, S; Gangarajula, S; Kulkarni, S; Xu, X; Rao, KV; Huang, X; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58443145 160868604 CHEMBL2063197 ZINC84728900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219810 CC(=O)Nc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H22N4O2/c1-13(27)24-17-5-3-4-16(10-17)14-6-8-15(9-7-14)18-11-19(18)20-12-21(28)26(2)22(23)25-20/h3-10,12,18-19H,11H2,1-2H3,(H2,23,25)(H,24,27)/t18-,19-/m0/s1 LSTAFTJPZZWDHE-OALUTQOASA-N 50397242 CHEMBL2169923 Beta-secretase 1 Homo sapiens 70000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462336 163346266 CHEMBL2169923 ZINC95554146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219811 Cc1ccc(s1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C19H19N3OS/c1-11-3-8-17(24-11)13-6-4-12(5-7-13)14-9-15(14)16-10-18(23)22(2)19(20)21-16/h3-8,10,14-15H,9H2,1-2H3,(H2,20,21)/t14-,15-/m0/s1 HOYSJTOUCXULQP-GJZGRUSLSA-N 50397259 CHEMBL2169945 Beta-secretase 1 Homo sapiens 165000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455157 163346283 CHEMBL2169945 ZINC95557637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219812 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCO)c1 InChI=1S/C22H23N3O2/c1-25-21(27)13-20(24-22(25)23)19-12-18(19)16-7-5-15(6-8-16)17-4-2-3-14(11-17)9-10-26/h2-8,11,13,18-19,26H,9-10,12H2,1H3,(H2,23,24)/t18-,19-/m0/s1 RPQMGFMILRERQM-OALUTQOASA-N 50397243 CHEMBL2169922 Beta-secretase 1 Homo sapiens 24500 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456949 163346267 CHEMBL2169922 ZINC95555664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219813 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1ccco1 InChI=1S/C18H17N3O2/c1-21-17(22)10-15(20-18(21)19)14-9-13(14)11-4-6-12(7-5-11)16-3-2-8-23-16/h2-8,10,13-14H,9H2,1H3,(H2,19,20)/t13-,14-/m0/s1 WWGJJEBUVDZSIS-KBPBESRZSA-N 50397260 CHEMBL2169944 Beta-secretase 1 Homo sapiens 59000 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462339 163346284 CHEMBL2169944 ZINC95555275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219814 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1ccsc1 InChI=1S/C18H17N3OS/c1-21-17(22)9-16(20-18(21)19)15-8-14(15)12-4-2-11(3-5-12)13-6-7-23-10-13/h2-7,9-10,14-15H,8H2,1H3,(H2,19,20)/t14-,15-/m0/s1 JGXXFOVQCDSDRK-GJZGRUSLSA-N 50397261 CHEMBL2169943 Beta-secretase 1 Homo sapiens 46500 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458820 163346285 CHEMBL2169943 ZINC95553438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219815 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccs1 InChI=1S/C18H17N3OS/c1-21-17(22)10-15(20-18(21)19)14-9-13(14)11-4-6-12(7-5-11)16-3-2-8-23-16/h2-8,10,13-14H,9H2,1H3,(H2,19,20)/t13-,14-/m0/s1 FVNUEGWIOHYACJ-KBPBESRZSA-N 50397262 CHEMBL2169942 Beta-secretase 1 Homo sapiens 14100 ChEMBL 10.1021/jm3011405 10.7270/Q2W66MXK 22998419 Yonezawa, S; Yamamoto, T; Yamakawa, H; Muto, C; Hosono, M; Hattori, K; Higashino, K; Yutsudo, T; Iwamoto, H; Kondo, Y; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453447 163346286 CHEMBL2169942 ZINC95554531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224283 COCCCCC1(CNC(=O)[C@@H]2CNC[C@@H](C2)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2Oc2ccccc12 InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1 LBPUIWQYAGTBDC-LOSJGSFVSA-N 50427040 CHEMBL2322207 Beta-secretase 1 Homo sapiens >30000 ChEMBL 10.1021/jm301706j 10.7270/Q25X2B8Z 23360239 Ostermann, N; Ruedisser, S; Ehrhardt, C; Breitenstein, W; Marzinzik, A; Jacoby, E; Vangrevelinghe, E; Ottl, J; Klumpp, M; Hartwieg, JC; Cumin, F; Hassiepen, U; Trappe, J; Sedrani, R; Geisse, S; Gerhartz, B; Richert, P; Francotte, E; Wagner, T; Kromer, M; Kosaka, T; Webb, RL; Rigel, DF; Maibaum, J; Baeschlin, DK Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0N0 4GJD 11963435 164155915 CHEMBL2322207 ZINC95584308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224291 NCc1ccc(CNC(=O)Cc2ccc(cc2O)-c2ccccc2)cc1 InChI=1S/C22H22N2O2/c23-14-16-6-8-17(9-7-16)15-24-22(26)13-20-11-10-19(12-21(20)25)18-4-2-1-3-5-18/h1-12,25H,13-15,23H2,(H,24,26) IVYMRSVJUJTJJI-UHFFFAOYSA-N 50427052 CHEMBL2322533 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584525 164155927 CHEMBL2322533 ZINC95583363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224292 NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1 InChI=1S/C23H21F3N2O/c24-23(25,26)21-3-1-2-20(13-21)19-10-8-16(9-11-19)12-22(29)28-15-18-6-4-17(14-27)5-7-18/h1-11,13H,12,14-15,27H2,(H,28,29) SOKKPDFWPPGKPQ-UHFFFAOYSA-N 50427053 CHEMBL2322541 Beta-secretase 1 Homo sapiens 58900 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582924 164155928 CHEMBL2322541 ZINC95585541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224293 NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccc(O)cc2)cc1 InChI=1S/C22H22N2O2/c23-14-17-1-3-18(4-2-17)15-24-22(26)13-16-5-7-19(8-6-16)20-9-11-21(25)12-10-20/h1-12,25H,13-15,23H2,(H,24,26) ZWYKEJZRJHDBFO-UHFFFAOYSA-N 50427050 CHEMBL2322542 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582925 164155925 CHEMBL2322542 ZINC95584340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224294 C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1 InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1 FHYZRKQSKXWLMZ-MRXNPFEDSA-N 50427055 CHEMBL2322536 Beta-secretase 1 Homo sapiens 85700 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584647 164155930 CHEMBL2322536 ZINC95580786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224295 O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2Cc3ccccc3C2)cc1 InChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33) YXDJXWNOSXNEIR-UHFFFAOYSA-N 50427045 CHEMBL2322830 Beta-secretase 1 Homo sapiens 63300 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583022 164155920 CHEMBL2322830 ZINC95584503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224296 CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1 InChI=1S/C26H30N2O/c1-3-28(4-2)20-23-12-10-22(11-13-23)19-27-26(29)18-21-14-16-25(17-15-21)24-8-6-5-7-9-24/h5-17H,3-4,18-20H2,1-2H3,(H,27,29) ABMCRHVRUHLJOQ-UHFFFAOYSA-N 50427048 CHEMBL2322831 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583023 164155923 CHEMBL2322831 ZINC95582736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224297 CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1 InChI=1S/C25H28N2O/c1-18(2)24(25(28)27-17-20-10-8-19(16-26)9-11-20)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,24H,16-17,26H2,1-2H3,(H,27,28) KZBAGUJKIHPQRQ-UHFFFAOYSA-N 50427057 CHEMBL2322537 Beta-secretase 1 Homo sapiens 33500 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584648 164155932 CHEMBL2322537 ZINC95581993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224298 NCc1ccc(CNC(=O)Cc2ccc(c(O)c2)-c2ccccc2)cc1 InChI=1S/C22H22N2O2/c23-14-16-6-8-17(9-7-16)15-24-22(26)13-18-10-11-20(21(25)12-18)19-4-2-1-3-5-19/h1-12,25H,13-15,23H2,(H,24,26) YBFFVTBHXBBXJD-UHFFFAOYSA-N 50427051 CHEMBL2322534 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584645 164155926 CHEMBL2322534 ZINC95582560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224299 O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2CCCC2)cc1 InChI=1S/C26H28N2O/c29-26(18-21-12-14-25(15-13-21)24-6-2-1-3-7-24)27-19-22-8-10-23(11-9-22)20-28-16-4-5-17-28/h1-3,6-15H,4-5,16-20H2,(H,27,29) YUXNQCGWTHODOD-UHFFFAOYSA-N 50427049 CHEMBL2322829 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583021 164155924 CHEMBL2322829 ZINC95584473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224300 C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1 InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1 FHYZRKQSKXWLMZ-MRXNPFEDSA-N 50427055 CHEMBL2322536 Beta-secretase 1 Homo sapiens 77100 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584647 164155930 CHEMBL2322536 ZINC95580786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224301 NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1 InChI=1S/C22H17F5N2O/c23-18-17(19(24)21(26)22(27)20(18)25)15-7-5-12(6-8-15)9-16(30)29-11-14-3-1-13(10-28)2-4-14/h1-8H,9-11,28H2,(H,29,30) IOCGHYIPZDZBAO-UHFFFAOYSA-N 50427054 CHEMBL2322540 Beta-secretase 1 Homo sapiens 101000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582923 164155929 CHEMBL2322540 ZINC95580784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224302 CC[N+](CC)(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1 InChI=1S/C28H34N2O/c1-4-30(5-2,6-3)22-25-14-12-24(13-15-25)21-29-28(31)20-23-16-18-27(19-17-23)26-10-8-7-9-11-26/h7-19H,4-6,20-22H2,1-3H3/p+1 YSYSBDGUWHCMCK-UHFFFAOYSA-O 50427047 CHEMBL2322832 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583025 164155922 CHEMBL2322832 ZINC95585333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224303 NCc1ccc(CNC(=O)C(Cc2ccccc2)c2ccc(cc2)-c2ccccc2)cc1 InChI=1S/C29H28N2O/c30-20-23-11-13-24(14-12-23)21-31-29(32)28(19-22-7-3-1-4-8-22)27-17-15-26(16-18-27)25-9-5-2-6-10-25/h1-18,28H,19-21,30H2,(H,31,32) HSGKBGCFILFOAC-UHFFFAOYSA-N 50427058 CHEMBL2322538 Beta-secretase 1 Homo sapiens 26900 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584649 164155933 CHEMBL2322538 ZINC95580957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224305 NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 InChI=1S/C24H20F6N2O/c25-23(26,27)20-10-19(11-21(12-20)24(28,29)30)18-7-5-15(6-8-18)9-22(33)32-14-17-3-1-16(13-31)2-4-17/h1-8,10-12H,9,13-14,31H2,(H,32,33) CFZPYKOAYUTDGC-UHFFFAOYSA-N 50427056 CHEMBL2322539 Beta-secretase 1 Homo sapiens 63900 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584650 164155931 CHEMBL2322539 ZINC95580992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224306 NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1 InChI=1S/C22H22N2O/c23-15-18-6-8-19(9-7-18)16-24-22(25)14-17-10-12-21(13-11-17)20-4-2-1-3-5-20/h1-13H,14-16,23H2,(H,24,25) LMLAEEGHIFQWKP-UHFFFAOYSA-N 50427046 CHEMBL2322833 Beta-secretase 1 Homo sapiens 323000 ChEMBL 10.1021/jm301127x 10.7270/Q2XG9SG1 23374014 Mok, NY; Chadwick, J; Kellett, KA; Casas-Arce, E; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584523 164155921 CHEMBL2322833 ZINC95582831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216553 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O InChI=1S/C32H44FN9O10/c1-14(2)10-18(26(45)37-19(11-16-8-6-5-7-9-16)27(46)39-20(31(50)51)12-21(35)43)38-30(49)23(15(3)4)40-25(44)17(34)13-36-29(48)24-22(33)28(47)42-32(52)41-24/h5-9,14-15,17-20,23H,10-13,34H2,1-4H3,(H2,35,43)(H,36,48)(H,37,45)(H,38,49)(H,39,46)(H,40,44)(H,50,51)(H2,41,42,47,52)/t17-,18-,19-,20-,23-/m0/s1 ZVURVQZZPGLAFI-LUVDPRQJSA-N 50386321 CHEMBL2047659 Beta-secretase 1 Homo sapiens 173 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 62707061 160865404 CHEMBL2047659 ZINC84758039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216554 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(O)=O InChI=1S/C31H43FN8O10/c1-14(2)10-18(25(43)35-19(11-16-8-6-5-7-9-16)26(44)37-20(13-41)30(48)49)36-29(47)22(15(3)4)38-24(42)17(33)12-34-28(46)23-21(32)27(45)40-31(50)39-23/h5-9,14-15,17-20,22,41H,10-13,33H2,1-4H3,(H,34,46)(H,35,43)(H,36,47)(H,37,44)(H,38,42)(H,48,49)(H2,39,40,45,50)/t17-,18-,19-,20+,22-/m0/s1 XZYPZBGJSWEIQI-UERWRGBPSA-N 50386322 CHEMBL2047140 Beta-secretase 1 Homo sapiens 138 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384020 160865405 CHEMBL2047140 ZINC84652591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221072 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1 JZYWSTGTBRHGTL-BIXXXADNSA-N 50302107 CHEMBL567893::Grassystatin A Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44255320 104156468 CHEMBL567893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221073 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221074 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O InChI=1S/C44H65N7O11/c1-25(2)21-32(40(57)46-27(5)42(59)51(8)34(44(61)62)23-30-17-13-10-14-18-30)47-37(55)24-35(53)31(22-29-15-11-9-12-16-29)48-41(58)33(19-20-36(45)54)50(7)43(60)38(26(3)4)49-39(56)28(6)52/h9-18,25-28,31-35,38,52-53H,19-24H2,1-8H3,(H2,45,54)(H,46,57)(H,47,55)(H,48,58)(H,49,56)(H,61,62)/t27-,28-,31-,32-,33-,34+,35-,38-/m0/s1 VZRWUYQWJBSEAG-YGPBSGGXSA-N 50400218 CHEMBL2181018 Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680448 163349242 CHEMBL2181018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221075 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32+,35+,36+,37+,38+,39-,40+,43+/m1/s1 WFMVRFNXMBGKEW-WNKJXKKFSA-N 50400219 CHEMBL2181017 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452060 163349243 CHEMBL2181017 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221076 COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32+,35+,36+,37+,38+,39+,40+,43+/m1/s1 WFMVRFNXMBGKEW-FXTBQCRKSA-N 50400220 CHEMBL2181016 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452059 163349244 CHEMBL2181016 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221077 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1 WFMVRFNXMBGKEW-HVGQEOIXSA-N 50400221 CHEMBL2181015 Beta-secretase 1 Homo sapiens 189 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680446 163349245 CHEMBL2181015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221078 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C49H72N8O12/c1-28(2)24-35(45(64)51-30(5)43(62)54-36(26-33-18-13-10-14-19-33)47(66)57-23-15-20-38(57)49(68)69-8)52-41(61)27-39(59)34(25-32-16-11-9-12-17-32)53-46(65)37(21-22-40(50)60)56(7)48(67)42(29(3)4)55-44(63)31(6)58/h9-14,16-19,28-31,34-39,42,58-59H,15,20-27H2,1-8H3,(H2,50,60)(H,51,64)(H,52,61)(H,53,65)(H,54,62)(H,55,63)/t30-,31-,34-,35-,36+,37-,38-,39-,42-/m0/s1 VOLBHADFPHYYLF-NZOZXCOESA-N 50400215 CHEMBL2181021 Beta-secretase 1 Homo sapiens 5430 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455611 163349239 CHEMBL2181021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221079 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C53H67N7O11S/c1-33(2)26-43(50(65)55-35(4)51(66)59(5)45(28-37-20-13-9-14-21-37)52(67)60-25-17-24-44(60)53(68)71-6)56-47(62)32-46(61)42(27-36-18-11-8-12-19-36)57-49(64)40-29-39(30-41(31-40)58-72(7,69)70)48(63)54-34(3)38-22-15-10-16-23-38/h8-16,18-23,29-31,33-35,42-46,58,61H,17,24-28,32H2,1-7H3,(H,54,63)(H,55,65)(H,56,62)(H,57,64)/t34-,35+,42+,43+,44+,45-,46+/m1/s1 JUAAGLFBLRABBL-BDHWBISBSA-N 50400208 CHEMBL2181010 Beta-secretase 1 Homo sapiens 128 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680447 163349232 CHEMBL2181010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221080 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C InChI=1S/C47H72N8O10/c1-27(2)23-35(43(61)50-30(7)46(64)55(10)37(45(63)49-29(5)6)25-33-19-15-12-16-20-33)51-40(59)26-38(57)34(24-32-17-13-11-14-18-32)52-44(62)36(21-22-39(48)58)54(9)47(65)41(28(3)4)53-42(60)31(8)56/h11-20,27-31,34-38,41,56-57H,21-26H2,1-10H3,(H2,48,58)(H,49,63)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t30-,31-,34-,35-,36-,37+,38-,41-/m0/s1 UXROPHBUPUPWOI-BQZHBXIKSA-N 50400216 CHEMBL2181020 Beta-secretase 1 Homo sapiens 166 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461038 163349240 CHEMBL2181020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221081 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)C(C)C InChI=1S/C47H70N8O10/c1-28(2)24-34(42(59)50-30(5)44(61)54(7)37(26-32-18-13-10-14-19-32)45(62)55-23-15-20-36(55)47(64)65-8)51-40(58)27-38(56)33(25-31-16-11-9-12-17-31)52-43(60)35(21-22-39(48)57)53(6)46(63)41(49)29(3)4/h9-14,16-19,28-30,33-38,41,56H,15,20-27,49H2,1-8H3,(H2,48,57)(H,50,59)(H,51,58)(H,52,60)/t30-,33-,34-,35-,36-,37+,38-,41-/m0/s1 KQBGZTOQVQFMJZ-JTIJPRSZSA-N 50400209 CHEMBL2181023 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457396 163349233 CHEMBL2181023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221082 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 InChI=1S/C51H72N8O10/c1-31(2)26-39(47(65)54-33(5)50(68)59(8)41(28-36-20-14-10-15-21-36)48(66)53-30-37-22-16-11-17-23-37)55-44(63)29-42(61)38(27-35-18-12-9-13-19-35)56-49(67)40(24-25-43(52)62)58(7)51(69)45(32(3)4)57-46(64)34(6)60/h9-23,31-34,38-42,45,60-61H,24-30H2,1-8H3,(H2,52,62)(H,53,66)(H,54,65)(H,55,63)(H,56,67)(H,57,64)/t33-,34-,38-,39-,40-,41+,42-,45-/m0/s1 GJTOCPGDDLTBBD-LHRJYYJOSA-N 50400217 CHEMBL2181019 Beta-secretase 1 Homo sapiens 124 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452061 163349241 CHEMBL2181019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221083 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C54H69N7O11S/c1-34(2)27-44(51(66)56-36(4)52(67)59(5)46(29-38-21-14-10-15-22-38)53(68)61-26-18-25-45(61)54(69)72-7)57-48(63)33-47(62)43(28-37-19-12-9-13-20-37)58-50(65)41-30-40(31-42(32-41)60(6)73(8,70)71)49(64)55-35(3)39-23-16-11-17-24-39/h9-17,19-24,30-32,34-36,43-47,62H,18,25-29,33H2,1-8H3,(H,55,64)(H,56,66)(H,57,63)(H,58,65)/t35-,36+,43+,44+,45+,46-,47+/m1/s1 BYPTUSJUZLWKPS-NVUXHHRNSA-N 50400207 CHEMBL2181011 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66575069 163349231 CHEMBL2181011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221084 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C53H67N7O11S/c1-33(2)26-43(50(65)55-35(4)51(66)59(5)45(28-37-20-13-9-14-21-37)52(67)60-25-17-24-44(60)53(68)71-6)56-47(62)32-46(61)42(27-36-18-11-8-12-19-36)57-49(64)40-29-39(30-41(31-40)58-72(7,69)70)48(63)54-34(3)38-22-15-10-16-23-38/h8-16,18-23,29-31,33-35,42-46,58,61H,17,24-28,32H2,1-7H3,(H,54,63)(H,55,65)(H,56,62)(H,57,64)/t34-,35+,42+,43+,44+,45-,46+/m1/s1 JUAAGLFBLRABBL-BDHWBISBSA-N 50400208 CHEMBL2181010 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680447 163349232 CHEMBL2181010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221085 COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C33H46N4O7/c1-21(2)17-27(36-30(40)20-29(39)26(35-23(4)38)18-24-13-9-7-10-14-24)31(41)34-22(3)32(42)37(5)28(33(43)44-6)19-25-15-11-8-12-16-25/h7-16,21-22,26-29,39H,17-20H2,1-6H3,(H,34,41)(H,35,38)(H,36,40)/t22-,26-,27-,28+,29-/m0/s1 MKMWZJMYZYDWCM-CLFZCTPNSA-N 50400210 CHEMBL2181014 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453879 163349234 CHEMBL2181014 ZINC95576958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221086 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C InChI=1S/C52H78N8O12/c1-31(2)27-37(45(64)54-33(5)47(66)59(10)40(29-35-21-16-13-17-22-35)48(67)60-26-18-23-39(60)50(69)71-11)55-43(63)30-41(61)36(28-34-19-14-12-15-20-34)56-46(65)38(24-25-42(53)62)58(9)49(68)44(32(3)4)57-51(70)72-52(6,7)8/h12-17,19-22,31-33,36-41,44,61H,18,23-30H2,1-11H3,(H2,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,70)/t33-,36-,37-,38-,39-,40+,41-,44-/m0/s1 OCAGLXMEXWSQMK-BDSVAIAXSA-N 50400213 CHEMBL2181024 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453881 163349237 CHEMBL2181024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221087 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/m0/s1 BAGQHZIZGKYGNB-HSDQXRKWSA-N 50400211 CHEMBL2181013 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452058 163349235 CHEMBL2181013 ZINC95575748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221088 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)C(C)C InChI=1S/C47H70N8O10/c1-28(2)24-34(42(59)50-30(5)44(61)54(7)37(26-32-18-13-10-14-19-32)45(62)55-23-15-20-36(55)47(64)65-8)51-40(58)27-38(56)33(25-31-16-11-9-12-17-31)52-43(60)35(21-22-39(48)57)53(6)46(63)41(49)29(3)4/h9-14,16-19,28-30,33-38,41,56H,15,20-27,49H2,1-8H3,(H2,48,57)(H,50,59)(H,51,58)(H,52,60)/t30-,33-,34-,35-,36-,37+,38-,41-/m0/s1 KQBGZTOQVQFMJZ-JTIJPRSZSA-N 50400209 CHEMBL2181023 Beta-secretase 1 Homo sapiens 211 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457396 163349233 CHEMBL2181023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221089 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C38H53N5O8/c1-24(2)20-30(41-34(46)23-33(45)29(40-26(4)44)21-27-14-9-7-10-15-27)35(47)39-25(3)36(48)42(5)32(22-28-16-11-8-12-17-28)37(49)43-19-13-18-31(43)38(50)51-6/h7-12,14-17,24-25,29-33,45H,13,18-23H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,29-,30-,31-,32+,33-/m0/s1 RMYLRTHTIYLUCB-NLPVQCNXSA-N 50400212 CHEMBL2181012 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461037 163349236 CHEMBL2181012 ZINC95579676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221090 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/m0/s1 NXDIWJUYMKBICN-QDBLDGTHSA-N 50400214 CHEMBL2181022 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453880 163349238 CHEMBL2181022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221091 COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39-,40-,43-/m0/s1 WFMVRFNXMBGKEW-BGGOGDBVSA-N 50400222 TASIAMIDE B Beta-secretase 1 Homo sapiens 353 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10931081 163349246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221092 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C54H69N7O11S/c1-34(2)27-44(51(66)56-36(4)52(67)59(5)46(29-38-21-14-10-15-22-38)53(68)61-26-18-25-45(61)54(69)72-7)57-48(63)33-47(62)43(28-37-19-12-9-13-20-37)58-50(65)41-30-40(31-42(32-41)60(6)73(8,70)71)49(64)55-35(3)39-23-16-11-17-24-39/h9-17,19-24,30-32,34-36,43-47,62H,18,25-29,33H2,1-8H3,(H,55,64)(H,56,66)(H,57,63)(H,58,65)/t35-,36+,43+,44+,45+,46-,47+/m1/s1 BYPTUSJUZLWKPS-NVUXHHRNSA-N 50400207 CHEMBL2181011 Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1021/jm301630s 10.7270/Q2TH8NVB 23181502 Liu, Y; Zhang, W; Li, L; Salvador, LA; Chen, T; Chen, W; Felsenstein, KM; Ladd, TB; Price, AR; Golde, TE; He, J; Xu, Y; Li, Y; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66575069 163349231 CHEMBL2181011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223248 COCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 InChI=1S/C23H20F4N4O2/c1-32-11-3-5-15-4-2-6-17(12-15)23(16-7-9-18(10-8-16)33-20(24)25)19-29-13-22(26,27)14-31(19)21(28)30-23/h2,4,6-10,12,20H,11,13-14H2,1H3,(H2,28,30) DOQWIXXNZSOWDD-UHFFFAOYSA-N 50419857 CHEMBL1957480 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search S8Z 4ACX 57400038 163368881 CHEMBL1957480 ZINC73313186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223249 NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30)/t22-/m1/s1 CGCZYUBHKQMTSE-JOCHJYFZSA-N 50419871 CHEMBL1957483 Beta-secretase 1 Homo sapiens 7.9 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57328246 163368895 CHEMBL1957483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223257 NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30) CGCZYUBHKQMTSE-UHFFFAOYSA-N 50419859 CHEMBL1957482 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57393109 163368883 CHEMBL1957482 ZINC73295467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223259 NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32) MNFPPKGDMSWYSF-UHFFFAOYSA-N 50419862 CHEMBL1957474 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400036 163368886 CHEMBL1957474 ZINC73294947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223262 COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H20F2N6O/c1-32-19-7-5-17(6-8-19)23(20-29-12-22(24,25)13-31(20)21(26)30-23)18-4-2-3-15(9-18)16-10-27-14-28-11-16/h2-11,14H,12-13H2,1H3,(H2,26,30) VTIOIFVOIUBNKP-UHFFFAOYSA-N 50419861 CHEMBL1957473 Beta-secretase 1 Homo sapiens 182 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24873157 163368885 CHEMBL1957473 ZINC73294944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223263 NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H18F5N5O/c25-19-18(5-2-10-31-19)14-3-1-4-16(11-14)24(15-6-8-17(9-7-15)35-21(26)27)20-32-12-23(28,29)13-34(20)22(30)33-24/h1-11,21H,12-13H2,(H2,30,33) BIXBSTCQPHUSBY-UHFFFAOYSA-N 50419864 CHEMBL1957476 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394836 163368888 CHEMBL1957476 ZINC73313109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223264 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 InChI=1S/C25H21F4N5O2/c1-35-20-10-16(11-31-12-20)15-3-2-4-18(9-15)25(17-5-7-19(8-6-17)36-22(26)27)21-32-13-24(28,29)14-34(21)23(30)33-25/h2-12,22H,13-14H2,1H3,(H2,30,33) GIMSIOKOSRIQLD-UHFFFAOYSA-N 50419863 CHEMBL1957475 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396606 163368887 CHEMBL1957475 ZINC73313105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223265 COc1ccc(F)c(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccncc1 InChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31) WBBGIHPOPYLPCW-UHFFFAOYSA-N 50419869 CHEMBL1957477 Beta-secretase 1 Homo sapiens 282 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24873277 163368893 CHEMBL1957477 ZINC73313112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223266 NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30)/t22-/m1/s1 CGCZYUBHKQMTSE-JOCHJYFZSA-N 50419871 CHEMBL1957483 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57328246 163368895 CHEMBL1957483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223267 NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30) CGCZYUBHKQMTSE-UHFFFAOYSA-N 50419859 CHEMBL1957482 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57393109 163368883 CHEMBL1957482 ZINC73295467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223268 COCCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 InChI=1S/C24H22F4N4O2/c1-33-12-3-2-5-16-6-4-7-18(13-16)24(17-8-10-19(11-9-17)34-21(25)26)20-30-14-23(27,28)15-32(20)22(29)31-24/h4,6-11,13,21H,3,12,14-15H2,1H3,(H2,29,31) KCOKKZSYHQPAAF-UHFFFAOYSA-N 50419858 CHEMBL1957481 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394837 163368882 CHEMBL1957481 ZINC73295460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223269 COCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 InChI=1S/C23H20F4N4O2/c1-32-11-3-5-15-4-2-6-17(12-15)23(16-7-9-18(10-8-16)33-20(24)25)19-29-13-22(26,27)14-31(19)21(28)30-23/h2,4,6-10,12,20H,11,13-14H2,1H3,(H2,28,30) DOQWIXXNZSOWDD-UHFFFAOYSA-N 50419857 CHEMBL1957480 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search S8Z 4ACX 57400038 163368881 CHEMBL1957480 ZINC73313186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223271 COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(Br)c1 InChI=1S/C19H17BrF2N4O/c1-27-15-7-5-12(6-8-15)19(13-3-2-4-14(20)9-13)16-24-10-18(21,22)11-26(16)17(23)25-19/h2-9H,10-11H2,1H3,(H2,23,25) LVXQBMQMTVLGNH-UHFFFAOYSA-N 50419870 CHEMBL1957479 Beta-secretase 1 Homo sapiens 3388 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400037 163368894 CHEMBL1957479 ZINC73313178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223245 COCCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 InChI=1S/C24H22F4N4O2/c1-33-12-3-2-5-16-6-4-7-18(13-16)24(17-8-10-19(11-9-17)34-21(25)26)20-30-14-23(27,28)15-32(20)22(29)31-24/h4,6-11,13,21H,3,12,14-15H2,1H3,(H2,29,31) KCOKKZSYHQPAAF-UHFFFAOYSA-N 50419858 CHEMBL1957481 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394837 163368882 CHEMBL1957481 ZINC73295460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224410 COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1 PHCCFIGNVNPMML-RPWUZVMVSA-N 50427564 CHEMBL2322611 Beta-secretase 1 Homo sapiens >30000 ChEMBL 10.1021/jm3017078 10.7270/Q2FB5487 23425156 Lorthiois, E; Breitenstein, W; Cumin, F; Ehrhardt, C; Francotte, E; Jacoby, E; Ostermann, N; Sellner, H; Kosaka, T; Webb, RL; Rigel, DF; Hassiepen, U; Richert, P; Wagner, T; Maibaum, J Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0LT 4GJ7 11518143 164156439 CHEMBL2322611 ZINC95585360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50208881 Nc1nc(CCc2ccccc2)cc(=O)[nH]1 InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16) CNBSPUGFNQVSJS-UHFFFAOYSA-N 50226437 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE::2-amino-6-phenethyl-3H-pyrimidin-4-one::2-amino-6-phenethylpyrimidin-4(3H)-one::CHEMBL235821 Beta-secretase 1 Homo sapiens 660000 ChEMBL 10.1021/jm070825k 10.7270/Q2W95B0T 17985861 Geschwindner, S; Olsson, LL; Albert, JS; Deinum, J; Edwards, PD; de Beer, T; Folmer, RH AstraZeneca R&D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search V15 2V00 244935 104097093 CHEMBL235821 ZINC17314766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50208883 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 30000 ChEMBL 10.1021/jm070825k 10.7270/Q2W95B0T 17985861 Geschwindner, S; Olsson, LL; Albert, JS; Deinum, J; Edwards, PD; de Beer, T; Folmer, RH AstraZeneca R&D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50208884 CCCc1cc(=O)[nH]c(N)n1 InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11) FSYKBAWAYYELHH-UHFFFAOYSA-N 50226439 2-amino-6-propylpyrimidin-4(3H)-one::CHEMBL235825 Beta-secretase 1 Homo sapiens 4450000 ChEMBL 10.1021/jm070825k 10.7270/Q2W95B0T 17985861 Geschwindner, S; Olsson, LL; Albert, JS; Deinum, J; Edwards, PD; de Beer, T; Folmer, RH AstraZeneca R&D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EV0 3HVG 22394971 104097095 CHEMBL235825 ZINC20595793 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50208885 C[C@H](NC(=O)OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C36H42N4O12S/c1-22(32(44)38-27(17-18-31(42)43)34(46)40-29(35(47)48)20-24-11-7-4-8-12-24)37-36(49)52-21-30(41)28(19-23-9-5-3-6-10-23)39-33(45)25-13-15-26(16-14-25)53(2,50)51/h3-16,22,27-30,41H,17-21H2,1-2H3,(H,37,49)(H,38,44)(H,39,45)(H,40,46)(H,42,43)(H,47,48)/t22-,27-,28-,29-,30-/m0/s1 WSCSFYSZSCPBRU-NELKFLMZSA-N 50226438 (S)-5-((S)-1-carboxy-2-phenylethylamino)-4-((S)-2-(((2R,3S)-2-hydroxy-3-(4-(methylsulfonyl)benzamido)-4-phenylbutoxy)carbonyl)propanamido)-5-oxopentanoic acid::CHEMBL235820 Beta-secretase 1 Homo sapiens 30000 ChEMBL 10.1021/jm070825k 10.7270/Q2W95B0T 17985861 Geschwindner, S; Olsson, LL; Albert, JS; Deinum, J; Edwards, PD; de Beer, T; Folmer, RH AstraZeneca R&D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44434133 104097094 CHEMBL235820 ZINC95607417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209995 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1 InChI=1S/C28H38N4O4/c1-19(27(35)31-23-11-7-4-8-12-23)29-18-26(34)25(17-21-9-5-3-6-10-21)32-28(36)22-13-15-24(16-14-22)30-20(2)33/h3,5-6,9-10,13-16,19,23,25-26,29,34H,4,7-8,11-12,17-18H2,1-2H3,(H,30,33)(H,31,35)(H,32,36)/t19-,25-,26+/m0/s1 ROSDPTSFBCNKOB-RRWZXMNXSA-N 50373801 CHEMBL271231 Beta-secretase 1 Homo sapiens 62000 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454542 160852902 CHEMBL271231 ZINC29127648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209996 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209997 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1 InChI=1S/C30H40N4O4/c1-21(29(37)32-24-13-6-3-7-14-24)31-20-27(35)26(18-22-10-4-2-5-11-22)33-30(38)23-12-8-15-25(19-23)34-17-9-16-28(34)36/h2,4-5,8,10-12,15,19,21,24,26-27,31,35H,3,6-7,9,13-14,16-18,20H2,1H3,(H,32,37)(H,33,38)/t21-,26-,27+/m0/s1 NUXXROATVMQIKI-NJTBCWBZSA-N 50322878 CHEMBL271230::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 5270 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454541 117644199 CHEMBL271230 ZINC29127647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209998 CCCCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C35H50N4O5/c1-3-4-11-19-44-30-22-27(21-29(23-30)39-18-12-17-33(39)41)35(43)38-31(20-26-13-7-5-8-14-26)32(40)24-36-25(2)34(42)37-28-15-9-6-10-16-28/h5,7-8,13-14,21-23,25,28,31-32,36,40H,3-4,6,9-12,15-20,24H2,1-2H3,(H,37,42)(H,38,43)/t25-,31-,32+/m0/s1 FWXBKZGTGOEOEX-FWGANANOSA-N 50373809 CHEMBL256399 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454945 160852910 CHEMBL256399 ZINC29128349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209999 CC(C)CNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C34H49N5O4/c1-23(2)21-36-28-18-26(19-29(20-28)39-16-10-15-32(39)41)34(43)38-30(17-25-11-6-4-7-12-25)31(40)22-35-24(3)33(42)37-27-13-8-5-9-14-27/h4,6-7,11-12,18-20,23-24,27,30-31,35-36,40H,5,8-10,13-17,21-22H2,1-3H3,(H,37,42)(H,38,43)/t24-,30-,31+/m0/s1 ZQPHLZSMHOLSCJ-RJSONGRPSA-N 50373805 CHEMBL255964 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454875 160852906 CHEMBL255964 ZINC29128225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210000 CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 AFLKXDWNKYXERG-KEPSJGTLSA-N 50373800 CHEMBL255977 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454944 160852901 CHEMBL255977 ZINC29128348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210001 CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1 SNDQIKFTGSEGEF-KEPSJGTLSA-N 50373806 CHEMBL227053 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454874 160852907 CHEMBL227053 ZINC29128224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210002 CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1 SNDQIKFTGSEGEF-KEPSJGTLSA-N 50373806 CHEMBL227053 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454874 160852907 CHEMBL227053 ZINC29128224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210003 CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 AFLKXDWNKYXERG-KEPSJGTLSA-N 50373800 CHEMBL255977 Beta-secretase 1 Homo sapiens 1180 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454944 160852901 CHEMBL255977 ZINC29128348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210004 CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1 SNDQIKFTGSEGEF-KEPSJGTLSA-N 50373806 CHEMBL227053 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454874 160852907 CHEMBL227053 ZINC29128224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210005 CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 AFLKXDWNKYXERG-KEPSJGTLSA-N 50373800 CHEMBL255977 Beta-secretase 1 Homo sapiens 1130 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454944 160852901 CHEMBL255977 ZINC29128348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210006 CC(C)C[C@H](NC(=O)c1cccc(c1)S(C)(=O)=O)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1 InChI=1S/C24H39N3O5S/c1-16(2)13-21(27-24(30)18-9-8-12-20(14-18)33(4,31)32)22(28)15-25-17(3)23(29)26-19-10-6-5-7-11-19/h8-9,12,14,16-17,19,21-22,25,28H,5-7,10-11,13,15H2,1-4H3,(H,26,29)(H,27,30)/t17-,21-,22+/m0/s1 BQDWRPGXODFDQQ-BULFRSBZSA-N 50373803 CHEMBL256162 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454576 160852904 CHEMBL256162 ZINC29127695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210008 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1 InChI=1S/C32H46N4O4/c1-3-40-28-20-25(19-27(21-28)36-16-10-11-17-36)32(39)35-29(18-24-12-6-4-7-13-24)30(37)22-33-23(2)31(38)34-26-14-8-5-9-15-26/h4,6-7,12-13,19-21,23,26,29-30,33,37H,3,5,8-11,14-18,22H2,1-2H3,(H,34,38)(H,35,39)/t23-,29-,30+/m0/s1 HVFZUMJBEDTECP-KEPSJGTLSA-N 50373808 CHEMBL403533 Beta-secretase 1 Homo sapiens 1450 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454913 160852909 CHEMBL403533 ZINC29128286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210011 CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 NFJZOPIVPQPDRI-KEPSJGTLSA-N 50373807 CHEMBL272714 Beta-secretase 1 Homo sapiens 605 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454914 160852908 CHEMBL272714 ZINC29128287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215493 CN1C(N)=NC(C1=O)(c1cncnc1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14/h2-12H,1H3,(H2,22,25) IVSABKDCMZRDBN-UHFFFAOYSA-N 50379873 CHEMBL2011997 Beta-secretase 1 Homo sapiens 21000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262316 160858956 CHEMBL2011997 ZINC84597051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215494 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)c1ncccn1 InChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,17-23-9-4-10-24-17)15-7-2-5-13(11-15)14-6-3-8-16(21)12-14/h2-12H,1H3,(H2,22,25) HMRWGTILKDLNSD-UHFFFAOYSA-N 50379910 CHEMBL2011998 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388662 160858993 CHEMBL2011998 ZINC84597215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215500 CN1C(N)=NC(C1=O)(c1cccnc1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25) PNFYDRRJPSSMRN-UHFFFAOYSA-N 50379871 CHEMBL2011995 Beta-secretase 1 Homo sapiens 4400 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262424 160858954 CHEMBL2011995 ZINC84605144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215503 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccncc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-7-3-2-4-8-17)18-9-5-6-16(14-18)15-10-12-23-13-11-15/h2-14H,1H3,(H2,22,24) KIVMZYCSEHASSE-UHFFFAOYSA-N 50379891 CHEMBL2011975 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25063685 160858974 CHEMBL2011975 ZINC84604798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215507 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(C)c1 InChI=1S/C22H20N4O/c1-15-11-17(14-24-13-15)16-7-6-10-19(12-16)22(18-8-4-3-5-9-18)20(27)26(2)21(23)25-22/h3-14H,1-2H3,(H2,23,25) ODJFDRMLQDQXNY-UHFFFAOYSA-N 50379893 CHEMBL2011977 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262582 160858976 CHEMBL2011977 ZINC84604806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215509 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cnccn1 InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,15-7-3-2-4-8-15)16-9-5-6-14(12-16)17-13-22-10-11-23-17/h2-13H,1H3,(H2,21,24) OUONLRQZMMBMQK-UHFFFAOYSA-N 50379892 CHEMBL2011976 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70695762 160858975 CHEMBL2011976 ZINC84604802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215510 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25) PJHJJBHBSXKTPY-UHFFFAOYSA-N 50379872 CHEMBL2011979 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11544998 160858955 CHEMBL2011979 ZINC34659706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215511 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C22H17N5O/c1-27-20(28)22(26-21(27)24,18-7-3-2-4-8-18)19-9-5-6-16(11-19)17-10-15(12-23)13-25-14-17/h2-11,13-14H,1H3,(H2,24,26) YTGSOTHUMCQFKO-UHFFFAOYSA-N 50379894 CHEMBL2011978 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262427 160858977 CHEMBL2011978 ZINC84604809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215515 COc1cccc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1 LRYKHTDVFXMHEH-HSZRJFAPSA-N 50379896 CHEMBL2011981 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681036 160858979 CHEMBL2011981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215516 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21) WPHFNWNNCCSZJG-UHFFFAOYSA-N 50379879 CHEMBL2012003 Beta-secretase 1 Homo sapiens 880 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262423 160858962 CHEMBL2012003 ZINC84604720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216624 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C31H43FN8O10/c1-14(2)10-18(25(43)35-19(11-16-8-6-5-7-9-16)26(44)37-20(13-41)30(48)49)36-29(47)22(15(3)4)38-24(42)17(33)12-34-28(46)23-21(32)27(45)40-31(50)39-23/h5-9,14-15,17-20,22,41H,10-13,33H2,1-4H3,(H,34,46)(H,35,43)(H,36,47)(H,37,44)(H,38,42)(H,48,49)(H2,39,40,45,50)/t17-,18-,19-,20-,22-/m0/s1 XZYPZBGJSWEIQI-HVAMYJMISA-N 50386323 CHEMBL2047139 Beta-secretase 1 Homo sapiens 263 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 62707060 160865406 CHEMBL2047139 ZINC84652935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216640 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C28H38FN7O8/c1-13(2)10-17(23(38)33-18(27(42)43)11-15-8-6-5-7-9-15)32-26(41)20(14(3)4)34-22(37)16(30)12-31-25(40)21-19(29)24(39)36-28(44)35-21/h5-9,13-14,16-18,20H,10-12,30H2,1-4H3,(H,31,40)(H,32,41)(H,33,38)(H,34,37)(H,42,43)(H2,35,36,39,44)/t16-,17-,18-,20-/m0/s1 XHYSUZKIPXYDBL-JPLJXNOCSA-N 50386316 CHEMBL2047666 Beta-secretase 1 Homo sapiens 184 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 62707360 160865399 CHEMBL2047666 C01960 ZINC84756899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216651 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C36H45FN8O10/c1-17(2)13-24(42-33(51)26(18(3)4)43-29(47)22(38)16-39-32(50)27-25(37)31(49)45-36(55)44-27)30(48)41-23(14-19-9-6-5-7-10-19)28(46)34(52)40-21-12-8-11-20(15-21)35(53)54/h5-12,15,17-18,22-24,26,28,46H,13-14,16,38H2,1-4H3,(H,39,50)(H,40,52)(H,41,48)(H,42,51)(H,43,47)(H,53,54)(H2,44,45,49,55)/t22-,23-,24-,26-,28+/m0/s1 LDMJWNBBZVQTRP-JYIQTIOUSA-N 50386315 CHEMBL212925 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44414739 160865398 CHEMBL212925 ZINC95542917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220026 CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 OMMVFRZSBCRMQD-LJYZBVLISA-N 50397678 CHEMBL2181880 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KN 4DH6 56940718 163346702 CHEMBL2181880 ZINC95572350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220027 CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 OMMVFRZSBCRMQD-LJYZBVLISA-N 50397678 CHEMBL2181880 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KN 4DH6 56940718 163346702 CHEMBL2181880 ZINC95572350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220028 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)[C@@H]3CCCO3)c2c1 InChI=1S/C32H43N3O6/c1-31(2,3)15-21-12-22-24(16-32(9-5-10-32)41-30(22)34-17-21)33-18-25(36)23(35-29(37)27-6-4-11-38-27)13-20-7-8-26-28(14-20)40-19-39-26/h7-8,12,14,17,23-25,27,33,36H,4-6,9-11,13,15-16,18-19H2,1-3H3,(H,35,37)/t23-,24-,25+,27-/m0/s1 GYFMZUJFUIFICF-CLPFNFTISA-N 50397677 CHEMBL2181881 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25142266 163346701 CHEMBL2181881 ZINC95577035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220029 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3)c2c1 InChI=1S/C33H40N4O5/c1-32(2,3)15-22-12-24-26(16-33(9-5-10-33)42-31(24)36-17-22)35-19-27(38)25(37-30(39)23-6-4-11-34-18-23)13-21-7-8-28-29(14-21)41-20-40-28/h4,6-8,11-12,14,17-18,25-27,35,38H,5,9-10,13,15-16,19-20H2,1-3H3,(H,37,39)/t25-,26-,27+/m0/s1 DEZCGBNUMKGKRI-GMQQYTKMSA-N 50397673 CHEMBL2181827 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462843 163346697 CHEMBL2181827 ZINC95572765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220030 CC(C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O5/c1-19(2)28(36)34-23(12-20-7-8-26-27(13-20)38-18-37-26)25(35)17-32-24-15-31(9-6-10-31)39-29-22(24)11-21(16-33-29)14-30(3,4)5/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t23-,24-,25+/m0/s1 NJCPSTDAZOLOFF-CCDWMCETSA-N 50397679 CHEMBL2181831 Beta-secretase 1 Homo sapiens 812 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457462 163346703 CHEMBL2181831 ZINC95576469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220031 CC(C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O5/c1-19(2)28(36)34-23(12-20-7-8-26-27(13-20)38-18-37-26)25(35)17-32-24-15-31(9-6-10-31)39-29-22(24)11-21(16-33-29)14-30(3,4)5/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t23-,24-,25+/m0/s1 NJCPSTDAZOLOFF-CCDWMCETSA-N 50397679 CHEMBL2181831 Beta-secretase 1 Homo sapiens 144 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457462 163346703 CHEMBL2181831 ZINC95576469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220032 COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1OC InChI=1S/C30H43N3O5/c1-19(34)33-23(13-20-8-9-26(36-5)27(14-20)37-6)25(35)18-31-24-16-30(10-7-11-30)38-28-22(24)12-21(17-32-28)15-29(2,3)4/h8-9,12,14,17,23-25,31,35H,7,10-11,13,15-16,18H2,1-6H3,(H,33,34)/t23-,24-,25+/m0/s1 UVODFPUSJFFSKE-CCDWMCETSA-N 50397684 CHEMBL2181885 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68694939 163346708 CHEMBL2181885 ZINC95575178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220033 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccc(F)nc3)c2c1 InChI=1S/C33H39FN4O5/c1-32(2,3)14-21-11-23-25(15-33(9-4-10-33)43-31(23)37-16-21)35-18-26(39)24(38-30(40)22-6-8-29(34)36-17-22)12-20-5-7-27-28(13-20)42-19-41-27/h5-8,11,13,16-17,24-26,35,39H,4,9-10,12,14-15,18-19H2,1-3H3,(H,38,40)/t24-,25-,26+/m0/s1 GRVRRYKKHIRERQ-KKUQBAQOSA-N 50397672 CHEMBL2181828 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452117 163346696 CHEMBL2181828 ZINC95572677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220034 C[C@@H](F)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H40FN3O5/c1-18(31)27(36)34-22(11-19-6-7-25-26(12-19)38-17-37-25)24(35)16-32-23-14-30(8-5-9-30)39-28-21(23)10-20(15-33-28)13-29(2,3)4/h6-7,10,12,15,18,22-24,32,35H,5,8-9,11,13-14,16-17H2,1-4H3,(H,34,36)/t18-,22+,23+,24-/m1/s1 KCMGCUJYXNVZQQ-IBURTVSXSA-N 50397676 CHEMBL2181882 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270250 163346700 CHEMBL2181882 ZINC95573477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220035 CC(=O)N[C@@H](Cc1ccc2OCCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H41N3O5/c1-19(34)33-23(13-20-6-7-26-27(14-20)37-11-10-36-26)25(35)18-31-24-16-30(8-5-9-30)38-28-22(24)12-21(17-32-28)15-29(2,3)4/h6-7,12,14,17,23-25,31,35H,5,8-11,13,15-16,18H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 WDKYDCHLWJMLIC-CCDWMCETSA-N 50397681 CHEMBL2181829 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455687 163346705 CHEMBL2181829 ZINC95571826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220036 CC(=O)N[C@@H](Cc1ccc(OC(F)F)c(OC(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H39F4N3O5/c1-17(38)37-21(11-18-6-7-24(40-27(31)32)25(12-18)41-28(33)34)23(39)16-35-22-14-30(8-5-9-30)42-26-20(22)10-19(15-36-26)13-29(2,3)4/h6-7,10,12,15,21-23,27-28,35,39H,5,8-9,11,13-14,16H2,1-4H3,(H,37,38)/t21-,22-,23+/m0/s1 AGUOMKYLIBUMLE-RJGXRXQPSA-N 50397683 CHEMBL2181886 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457465 163346707 CHEMBL2181886 ZINC95577505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220037 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccccc3F)c2c1 InChI=1S/C34H40FN3O5/c1-33(2,3)16-22-13-24-27(17-34(11-6-12-34)43-32(24)37-18-22)36-19-28(39)26(38-31(40)23-7-4-5-8-25(23)35)14-21-9-10-29-30(15-21)42-20-41-29/h4-5,7-10,13,15,18,26-28,36,39H,6,11-12,14,16-17,19-20H2,1-3H3,(H,38,40)/t26-,27-,28+/m0/s1 NAPFTANQOOCSJB-HZFUHODCSA-N 50397675 CHEMBL2181883 Beta-secretase 1 Homo sapiens 1150 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459341 163346699 CHEMBL2181883 ZINC95573895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220038 COCC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H41N3O6/c1-29(2,3)13-20-10-21-23(14-30(8-5-9-30)39-28(21)32-15-20)31-16-24(34)22(33-27(35)17-36-4)11-19-6-7-25-26(12-19)38-18-37-25/h6-7,10,12,15,22-24,31,34H,5,8-9,11,13-14,16-18H2,1-4H3,(H,33,35)/t22-,23-,24+/m0/s1 VNRFICGTYGICPO-KMDXXIMOSA-N 50397680 CHEMBL2181830 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455688 163346704 CHEMBL2181830 ZINC95577432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220039 CC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H39N3O5/c1-18(33)32-22(11-19-6-7-25-26(12-19)36-17-35-25)24(34)16-30-23-14-29(8-5-9-29)37-27-21(23)10-20(15-31-27)13-28(2,3)4/h6-7,10,12,15,22-24,30,34H,5,8-9,11,13-14,16-17H2,1-4H3,(H,32,33)/t22-,23-,24+/m0/s1 KHOYMTLYNVQONU-KMDXXIMOSA-N 50397682 CHEMBL2181887 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270704 163346706 CHEMBL2181887 ZINC95576880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210022 CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 WQAFOQHZNVQHFW-KEPSJGTLSA-N 50373804 CHEMBL257871 Beta-secretase 1 Homo sapiens 690 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454839 160852905 CHEMBL257871 ZINC29128163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210026 C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25-/m0/s1 YKYXAHIQYWIJPR-LQGLAIQGSA-N 50373802 CHEMBL256581 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454574 160852903 CHEMBL256581 ZINC29127692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210027 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1 FBDCQORXLIVIPH-PWUSVURUSA-N 50373810 CHEMBL258068 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454508 160852911 CHEMBL258068 ZINC29127596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210029 COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C31H42N4O5/c1-21(30(38)33-24-12-7-4-8-13-24)32-20-28(36)27(16-22-10-5-3-6-11-22)34-31(39)23-17-25(19-26(18-23)40-2)35-15-9-14-29(35)37/h3,5-6,10-11,17-19,21,24,27-28,32,36H,4,7-9,12-16,20H2,1-2H3,(H,33,38)(H,34,39)/t21-,27-,28+/m0/s1 MLTMAABMXBCIEM-YNOBPPCASA-N 50373811 CHEMBL258277 Beta-secretase 1 Homo sapiens 745 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454509 160852912 CHEMBL258277 ZINC29127597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210030 CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 NFJZOPIVPQPDRI-KEPSJGTLSA-N 50373807 CHEMBL272714 Beta-secretase 1 Homo sapiens 1380 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454914 160852908 CHEMBL272714 ZINC29128287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210033 C[C@H](N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C28H39N3O5S/c1-20(27(33)29-23-14-8-5-9-15-23)31(2)19-26(32)25(17-21-11-6-4-7-12-21)30-28(34)22-13-10-16-24(18-22)37(3,35)36/h4,6-7,10-13,16,18,20,23,25-26,32H,5,8-9,14-15,17,19H2,1-3H3,(H,29,33)(H,30,34)/t20-,25-,26+/m0/s1 CTLXKJIPWXBOCN-YMSRPXOMSA-N 50373798 CHEMBL403087 Beta-secretase 1 Homo sapiens >500000 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454575 160852899 CHEMBL403087 ZINC29127693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210020 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)N1CCCC1=O)N1CCCC1)C(=O)NC1CCCCC1 InChI=1S/C34H47N5O4/c1-24(33(42)36-27-13-6-3-7-14-27)35-23-31(40)30(19-25-11-4-2-5-12-25)37-34(43)26-20-28(38-16-8-9-17-38)22-29(21-26)39-18-10-15-32(39)41/h2,4-5,11-12,20-22,24,27,30-31,35,40H,3,6-10,13-19,23H2,1H3,(H,36,42)(H,37,43)/t24-,30-,31+/m0/s1 JMVWEZMBTQMNME-RJSONGRPSA-N 50373799 CHEMBL255192 Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454842 160852900 CHEMBL255192 ZINC29128166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210034 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1 FBDCQORXLIVIPH-PWUSVURUSA-N 50373810 CHEMBL258068 Beta-secretase 1 Homo sapiens 1420 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454508 160852911 CHEMBL258068 ZINC29127596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210035 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1 FBDCQORXLIVIPH-PWUSVURUSA-N 50373810 CHEMBL258068 Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454508 160852911 CHEMBL258068 ZINC29127596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210021 CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1 InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1 FBMGVFBNGKNQCB-WTWMYVDVSA-N 50373812 CHEMBL402305 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG3 2VIY 23657804 160852913 CHEMBL402305 ZINC16052614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210081 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210088 CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 NFJZOPIVPQPDRI-KEPSJGTLSA-N 50373807 CHEMBL272714 Beta-secretase 1 Homo sapiens 1690 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454914 160852908 CHEMBL272714 ZINC29128287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211150 O[C@H](CNCc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 InChI=1S/C29H31F3N4O4/c30-29(31,32)40-23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1 ALDJXOMRVJRQQK-KKUQBAQOSA-N 50377842 CHEMBL259083 Beta-secretase 1 Homo sapiens 21070 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450200 160856925 CHEMBL259083 ZINC29050586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211151 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-22-11-23(31)15-24(32)12-22)34-29(39)27-19-37(30(40)35-27)18-20-7-4-3-5-8-20/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 PJNQEXSGZMHMGP-HZFUHODCSA-N 50377840 CHEMBL405889 Beta-secretase 1 Homo sapiens 1290 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232984 160856923 CHEMBL405889 ZINC29050211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211152 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2ccccc2)c1 InChI=1S/C29H35N5O3/c1-33(2)24-15-9-12-22(16-24)18-30-19-27(35)25(17-21-10-5-3-6-11-21)31-28(36)26-20-34(29(37)32-26)23-13-7-4-8-14-23/h3-16,25-27,30,35H,17-20H2,1-2H3,(H,31,36)(H,32,37)/t25-,26-,27+/m0/s1 DNXMSQGUVHRDBH-GMQQYTKMSA-N 50377853 CHEMBL410666 Beta-secretase 1 Homo sapiens 8177 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233846 160856936 CHEMBL410666 ZINC29048906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211153 CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C31H36F2N4O3/c1-20(2)24-10-6-9-22(11-24)16-34-17-29(38)27(14-21-7-4-3-5-8-21)35-30(39)28-19-37(31(40)36-28)18-23-12-25(32)15-26(33)13-23/h3-13,15,20,27-29,34,38H,14,16-19H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+/m0/s1 DIVOTBMEMUKMAL-YTCPBCGMSA-N 50377860 CHEMBL411917 Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450198 160856943 CHEMBL411917 ZINC29050577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211154 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(Cc3ccccc3)C(=O)N2)c1 InChI=1S/C31H38N4O3/c1-35(2)26-15-9-14-24(17-26)20-32-21-29(36)27(18-23-12-7-4-8-13-23)33-31(38)28-19-25(30(37)34-28)16-22-10-5-3-6-11-22/h3-15,17,25,27-29,32,36H,16,18-21H2,1-2H3,(H,33,38)(H,34,37)/t25?,27-,28-,29+/m0/s1 OTNMGMYZDOOFEQ-OCEKYKCHSA-N 50377838 CHEMBL408948 Beta-secretase 1 Homo sapiens 3005 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450048 160856921 CHEMBL408948 ZINC29049691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211155 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1 InChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1 VNUBIZBPCBGZAL-HZFUHODCSA-N 50377846 CHEMBL410865 Beta-secretase 1 Homo sapiens 5590 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232817 160856929 CHEMBL410865 ZINC29048497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211156 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1 InChI=1S/C31H36F3N5O3/c1-38(2)24-13-8-11-22(15-24)17-35-18-28(40)26(16-21-9-4-3-5-10-21)36-29(41)27-20-39(30(42)37-27)19-23-12-6-7-14-25(23)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1 IQKLZHGBNUDGHR-HZFUHODCSA-N 50377845 CHEMBL260722 Beta-secretase 1 Homo sapiens 3120 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233156 160856928 CHEMBL260722 ZINC29048499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211157 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-23(31)15-24(32)12-22/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 WUINFQUMQLJWPY-HZFUHODCSA-N 50377847 CHEMBL413999 Beta-secretase 1 Homo sapiens 1970 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233503 160856930 CHEMBL413999 ZINC29048502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211158 COc1cc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)cc(OC)c1 InChI=1S/C32H41N5O5/c1-36(2)25-12-8-11-23(13-25)18-33-19-30(38)28(16-22-9-6-5-7-10-22)34-31(39)29-21-37(32(40)35-29)20-24-14-26(41-3)17-27(15-24)42-4/h5-15,17,28-30,33,38H,16,18-21H2,1-4H3,(H,34,39)(H,35,40)/t28-,29-,30+/m0/s1 KBLFYWPNKJNKAP-OIFRRMEBSA-N 50377851 CHEMBL405204 Beta-secretase 1 Homo sapiens 36480 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44449874 160856934 CHEMBL405204 ZINC29048791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211159 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 MDQXGGYWQXEUEB-HZFUHODCSA-N 50377849 CHEMBL260634 Beta-secretase 1 Homo sapiens 272 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233330 160856932 CHEMBL260634 ZINC29048670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211160 CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C32H36F4N4O3/c1-32(2,3)22-6-4-5-19(7-22)15-37-16-29(41)27(12-20-8-23(33)13-24(34)9-20)38-30(42)28-18-40(31(43)39-28)17-21-10-25(35)14-26(36)11-21/h4-11,13-14,27-29,37,41H,12,15-18H2,1-3H3,(H,38,42)(H,39,43)/t27-,28-,29+/m0/s1 AJVQSIIGUPEAOP-YTCPBCGMSA-N 50377859 CHEMBL260621 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25066444 160856942 CHEMBL260621 ZINC29050216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211161 CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C32H38F2N4O3/c1-32(2,3)24-11-7-10-22(12-24)17-35-18-29(39)27(15-21-8-5-4-6-9-21)36-30(40)28-20-38(31(41)37-28)19-23-13-25(33)16-26(34)14-23/h4-14,16,27-29,35,39H,15,17-20H2,1-3H3,(H,36,40)(H,37,41)/t27-,28-,29+/m0/s1 DNLDGHIHLKXPEZ-YTCPBCGMSA-N 50377841 CHEMBL260834 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450139 160856924 CHEMBL260834 ZINC29050226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211162 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1 InChI=1S/C30H36FN5O3/c1-35(2)25-10-6-9-23(15-25)17-32-18-28(37)26(16-21-7-4-3-5-8-21)33-29(38)27-20-36(30(39)34-27)19-22-11-13-24(31)14-12-22/h3-15,26-28,32,37H,16-20H2,1-2H3,(H,33,38)(H,34,39)/t26-,27-,28+/m0/s1 ZPUOCRDDGKPTED-HZFUHODCSA-N 50377850 CHEMBL260635 Beta-secretase 1 Homo sapiens 818 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233329 160856933 CHEMBL260635 ZINC29048672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211163 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1 PRPCMUHQFAGMHJ-PIZZNKLWSA-N 50377839 CHEMBL263405 Beta-secretase 1 Homo sapiens 2194 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450074 160856922 CHEMBL263405 ZINC29049837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211164 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(cc3)C(F)(F)F)C(=O)N2)c1 InChI=1S/C31H36F3N5O3/c1-38(2)25-10-6-9-23(15-25)17-35-18-28(40)26(16-21-7-4-3-5-8-21)36-29(41)27-20-39(30(42)37-27)19-22-11-13-24(14-12-22)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1 OJFPQOAVNHLJCK-HZFUHODCSA-N 50377844 CHEMBL258462 Beta-secretase 1 Homo sapiens 4957 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232818 160856927 CHEMBL258462 ZINC29048404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211165 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3F)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)24-10-6-9-21(13-24)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-23(31)15-25(22)32/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 HJICKJJRWRRYHT-HZFUHODCSA-N 50377848 CHEMBL265953 Beta-secretase 1 Homo sapiens 867 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233331 160856931 CHEMBL265953 ZINC29048592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211166 O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 InChI=1S/C29H31F3N4O3/c30-29(31,32)23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1 XIHBZDLDTUBMCD-KKUQBAQOSA-N 50377843 CHEMBL259547 Beta-secretase 1 Homo sapiens 1256 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44449760 160856926 CHEMBL259547 ZINC29048407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211167 COc1cccc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)c1 InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1 MCBWJRZWLSXSBN-YTCPBCGMSA-N 50377852 CHEMBL261655 Beta-secretase 1 Homo sapiens 14220 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 012 3CKP 24801864 160856935 CHEMBL261655 ZINC24978194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211168 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCc3ccccc3)C(=O)N2)c1 InChI=1S/C31H39N5O3/c1-35(2)26-15-9-14-25(18-26)20-32-21-29(37)27(19-24-12-7-4-8-13-24)33-30(38)28-22-36(31(39)34-28)17-16-23-10-5-3-6-11-23/h3-15,18,27-29,32,37H,16-17,19-22H2,1-2H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1 DOQOXQHNFYQTQF-YTCPBCGMSA-N 50377858 CHEMBL411237 Beta-secretase 1 Homo sapiens 6800 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44449992 160856941 CHEMBL411237 ZINC29049353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211169 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CN(Cc3ccccc3)C(=O)N2)c1 InChI=1S/C31H39N5O3/c1-31(22-36(30(39)34-31)21-24-13-8-5-9-14-24)29(38)33-27(18-23-11-6-4-7-12-23)28(37)20-32-19-25-15-10-16-26(17-25)35(2)3/h4-17,27-28,32,37H,18-22H2,1-3H3,(H,33,38)(H,34,39)/t27-,28+,31-/m0/s1 UMWDHBILBQOORP-QXIHQKPUSA-N 50377856 CHEMBL441728 Beta-secretase 1 Homo sapiens 6768 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233160 160856939 CHEMBL441728 ZINC29049224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211170 O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 InChI=1S/C29H31F3N4O3/c30-29(31,32)23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1 XIHBZDLDTUBMCD-KKUQBAQOSA-N 50377843 CHEMBL259547 Beta-secretase 1 Homo sapiens 12330 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44449760 160856926 CHEMBL259547 ZINC29048407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211171 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3F)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)24-10-6-9-21(13-24)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-23(31)15-25(22)32/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 HJICKJJRWRRYHT-HZFUHODCSA-N 50377848 CHEMBL265953 Beta-secretase 1 Homo sapiens 9950 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233331 160856931 CHEMBL265953 ZINC29048592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211172 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1 InChI=1S/C31H39N5O4/c1-35(2)25-13-9-12-24(18-25)20-32-21-29(37)27(19-23-10-5-3-6-11-23)33-30(38)28-22-36(31(39)34-28)16-17-40-26-14-7-4-8-15-26/h3-15,18,27-29,32,37H,16-17,19-22H2,1-2H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1 FZLSLIXTGTZYGP-YTCPBCGMSA-N 50377857 CHEMBL260173 Beta-secretase 1 Homo sapiens 3514 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232986 160856940 CHEMBL260173 ZINC29049233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211173 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2cc(Br)cc(Br)c2)c1 InChI=1S/C29H33Br2N5O3/c1-35(2)23-10-6-9-20(11-23)16-32-17-27(37)25(12-19-7-4-3-5-8-19)33-28(38)26-18-36(29(39)34-26)24-14-21(30)13-22(31)15-24/h3-11,13-15,25-27,32,37H,12,16-18H2,1-2H3,(H,33,38)(H,34,39)/t25-,26-,27+/m0/s1 LQWBBXAAGLDDLN-GMQQYTKMSA-N 50377854 CHEMBL442807 Beta-secretase 1 Homo sapiens 3500 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233845 160856937 CHEMBL442807 ZINC29049071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211174 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 MDQXGGYWQXEUEB-HZFUHODCSA-N 50377849 CHEMBL260634 Beta-secretase 1 Homo sapiens 5740 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233330 160856932 CHEMBL260634 ZINC29048670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211175 CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C32H38F2N4O3/c1-32(2,3)24-11-7-10-22(12-24)17-35-18-29(39)27(15-21-8-5-4-6-9-21)36-30(40)28-20-38(31(41)37-28)19-23-13-25(33)16-26(34)14-23/h4-14,16,27-29,35,39H,15,17-20H2,1-3H3,(H,36,40)(H,37,41)/t27-,28-,29+/m0/s1 DNLDGHIHLKXPEZ-YTCPBCGMSA-N 50377841 CHEMBL260834 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450139 160856924 CHEMBL260834 ZINC29050226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213402 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24) RDWGKVFCNRXSNW-UHFFFAOYSA-N 50310149 2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL598876::rac-2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951416 104144510 CHEMBL598876 ZINC34806291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213403 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 FWLPFLWMHMGKPS-DEOSSOPVSA-N 50310150 (S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL598290 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231555 104144511 CHEMBL598290 ZINC45355323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213404 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25) DCYJRONKTIQNEU-UHFFFAOYSA-N 50310156 CHEMBL598257::rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950595 104144517 CHEMBL598257 ZINC34804730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213405 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 FWLPFLWMHMGKPS-DEOSSOPVSA-N 50310150 (S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL598290 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231555 104144511 CHEMBL598290 ZINC45355323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213406 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24) AIKOTXHNUIYVMD-UHFFFAOYSA-N 50310155 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL604590::rac-2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 472 3IN3 15950666 104144516 CHEMBL604590 ZINC34804868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213407 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1 QQPRKWVAAAEILV-QHCPKHFHSA-N 50310162 (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one::(S)-2-amino-4-(2,6-diethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL590730 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310162&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BX2 3IN4 16726085 104144523 CHEMBL590730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213408 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) UFWSJOVQEPTPNE-UHFFFAOYSA-N 50300710 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582044 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 454 3IGB 11543843 104155071 CHEMBL582044 ZINC34657615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213409 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213410 CCc1cc(cc(CC)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28) QQPRKWVAAAEILV-UHFFFAOYSA-N 50310152 CHEMBL597277::rac-2-amino-4-(2,6-diethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BX2 3IN4 46231500 104144513 CHEMBL597277 ZINC45355320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213411 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1cc(C)nc(C)c1 InChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26) AZEJJBDMXZISKY-UHFFFAOYSA-N 50310151 CHEMBL597062::rac-2-amino-4-(2,6-dimethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950662 104144512 CHEMBL597062 ZINC34804852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213412 CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26) INKNZABLNYYGBD-UHFFFAOYSA-N 50310158 CHEMBL598259::rac-2-amino-4-(2-ethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950597 104144519 CHEMBL598259 ZINC34804739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213413 CC(C)c1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27) WEPVSZQVQNITEF-UHFFFAOYSA-N 50310159 CHEMBL590492::rac-2-amino-4-(2-isopropylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231497 104144520 CHEMBL590492 ZINC45336921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213414 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1ccnc(C)c1 InChI=1S/C20H18N6O/c1-13-8-17(6-7-24-13)20(18(27)26(2)19(21)25-20)16-5-3-4-14(9-16)15-10-22-12-23-11-15/h3-12H,1-2H3,(H2,21,25) WVICKDVVFIIGRI-UHFFFAOYSA-N 50310157 CHEMBL598258::rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950667 104144518 CHEMBL598258 ZINC34804871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215517 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25) WCLBHPJZARGGNQ-UHFFFAOYSA-N 50379895 CHEMBL2011980 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262417 160858978 CHEMBL2011980 ZINC84603718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215519 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 InChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22) VBEPQYVSCSCKOC-UHFFFAOYSA-N 50379877 CHEMBL2012004 Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387407 160858960 CHEMBL2012004 ZINC84632616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215521 CN1C(N)=N[C@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1 PNSQCPQDRVOKMA-OAQYLSRUSA-N 50379898 CHEMBL2011983 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KP 4DJW 70685236 160858981 CHEMBL2011983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215525 COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22) NCNMSGOJBLVCOM-UHFFFAOYSA-N 50379880 CHEMBL2012001 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262421 160858963 CHEMBL2012001 ZINC84602004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215526 COc1cccc(c1)-c1cccc(c1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m0/s1 LRYKHTDVFXMHEH-QHCPKHFHSA-N 50379897 CHEMBL2011982 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70693646 160858980 CHEMBL2011982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215530 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23) RCSWOKAWDNQMMD-UHFFFAOYSA-N 50379881 CHEMBL2012002 Beta-secretase 1 Homo sapiens 940 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11624078 160858964 CHEMBL2012002 ZINC35949720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215533 CN1C(N)=NC(C1=O)(c1nccs1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C19H15ClN4OS/c1-24-17(25)19(23-18(24)21,16-22-8-9-26-16)14-6-2-4-12(10-14)13-5-3-7-15(20)11-13/h2-11H,1H3,(H2,21,23) FGZNPKRHPSRWAL-UHFFFAOYSA-N 50379911 CHEMBL2011999 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387748 160858994 CHEMBL2011999 ZINC84601996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215540 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Cl)c1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19) QWEOCJPATDOXQJ-UHFFFAOYSA-N 50303728 2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL578410 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488113 104158089 CHEMBL578410 ZINC45290657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215542 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m0/s1 PNSQCPQDRVOKMA-NRFANRHFSA-N 50379899 CHEMBL2011984 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681037 160858982 CHEMBL2011984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215543 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23) JOMOYZHFIMBZBT-UHFFFAOYSA-N 50379912 CHEMBL2012000 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262464 160858995 CHEMBL2012000 ZINC84602000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215544 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(C)c1 InChI=1S/C19H20N4O/c1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22) FJJHRLCGQGECLA-UHFFFAOYSA-N 50379875 CHEMBL2011964 Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262510 160858958 CHEMBL2011964 ZINC84597173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215547 CCC1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C18H18ClN3O/c1-3-18(16(23)22(2)17(20)21-18)14-8-4-6-12(10-14)13-7-5-9-15(19)11-13/h4-11H,3H2,1-2H3,(H2,20,21) JDGYHXLXMUDRKO-UHFFFAOYSA-N 50379874 CHEMBL2011986 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262465 160858957 CHEMBL2011986 ZINC84632665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215555 CC(C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C19H20ClN3O/c1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h4-12H,1-3H3,(H2,21,22) VWORSAPPCITGHN-UHFFFAOYSA-N 50379901 CHEMBL2011987 Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262564 160858984 CHEMBL2011987 ZINC84633425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216690 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O InChI=1S/C35H48FN9O10/c1-17(2)26(43-28(47)20(37)16-39-32(51)27-25(36)31(50)45-35(55)44-27)33(52)41-22(14-19-11-7-4-8-12-19)29(48)40-21(13-18-9-5-3-6-10-18)30(49)42-23(34(53)54)15-24(38)46/h3,5-6,9-10,17,19-23,26H,4,7-8,11-16,37H2,1-2H3,(H2,38,46)(H,39,51)(H,40,48)(H,41,52)(H,42,49)(H,43,47)(H,53,54)(H2,44,45,50,55)/t20-,21-,22-,23+,26-/m0/s1 GZSUFAAGVCBEJF-ULKMUXEJSA-N 50386317 CHEMBL2047665 Beta-secretase 1 Homo sapiens 141 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 62707359 160865400 CHEMBL2047665 ZINC95564375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216702 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(O)=O InChI=1S/C34H47FN8O10/c1-17(2)25(41-27(45)20(36)15-37-31(49)26-24(35)30(48)43-34(53)42-26)32(50)39-22(14-19-11-7-4-8-12-19)28(46)38-21(13-18-9-5-3-6-10-18)29(47)40-23(16-44)33(51)52/h3,5-6,9-10,17,19-23,25,44H,4,7-8,11-16,36H2,1-2H3,(H,37,49)(H,38,46)(H,39,50)(H,40,47)(H,41,45)(H,51,52)(H2,42,43,48,53)/t20-,21-,22-,23+,25-/m0/s1 XQXMIUCVLQAHMJ-WHGMEAMLSA-N 50386318 CHEMBL2047664 Beta-secretase 1 Homo sapiens 163 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 62707358 160865401 CHEMBL2047664 ZINC95551542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216708 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(O)=O InChI=1S/C33H47FN8O9/c1-15(2)12-20(27(44)37-21(13-18-10-8-7-9-11-18)28(45)40-24(17(5)6)32(49)50)38-31(48)23(16(3)4)39-26(43)19(35)14-36-30(47)25-22(34)29(46)42-33(51)41-25/h7-11,15-17,19-21,23-24H,12-14,35H2,1-6H3,(H,36,47)(H,37,44)(H,38,48)(H,39,43)(H,40,45)(H,49,50)(H2,41,42,46,51)/t19-,20-,21-,23-,24+/m0/s1 QSORSKBRCACUJO-CQHWMIAWSA-N 50386314 CHEMBL2047663 Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384015 160865397 CHEMBL2047663 ZINC84668419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216723 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(O)=O InChI=1S/C31H43FN8O9/c1-14(2)11-19(26(43)36-20(12-17-9-7-6-8-10-17)25(42)35-16(5)30(47)48)37-29(46)22(15(3)4)38-24(41)18(33)13-34-28(45)23-21(32)27(44)40-31(49)39-23/h6-10,14-16,18-20,22H,11-13,33H2,1-5H3,(H,34,45)(H,35,42)(H,36,43)(H,37,46)(H,38,41)(H,47,48)(H2,39,40,44,49)/t16-,18+,19+,20+,22+/m1/s1 XSIKFDATKJWESS-GCPWLZLNSA-N 50386319 CHEMBL2047662 Beta-secretase 1 Homo sapiens 169 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384016 160865402 CHEMBL2047662 ZINC84668418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216751 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O InChI=1S/C32H44FN9O10/c1-14(2)10-18(26(45)37-19(11-16-8-6-5-7-9-16)27(46)39-20(31(50)51)12-21(35)43)38-30(49)23(15(3)4)40-25(44)17(34)13-36-29(48)24-22(33)28(47)42-32(52)41-24/h5-9,14-15,17-20,23H,10-13,34H2,1-4H3,(H2,35,43)(H,36,48)(H,37,45)(H,38,49)(H,39,46)(H,40,44)(H,50,51)(H2,41,42,47,52)/t17-,18-,19-,20+,23-/m0/s1 ZVURVQZZPGLAFI-PYRYHMDCSA-N 50386320 CHEMBL2047660 Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1021/ml2002373 10.7270/Q2GM88CF 24900449 Hamada, Y; Ishiura, S; Kiso, Y TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384014 160865403 CHEMBL2047660 ZINC84758041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216754 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(O)c(N)c(F)c3)[C@@H]2O)c1 InChI=1S/C23H31FN2O4S/c1-23(2,3)17-6-4-5-14(8-17)11-26-19-13-31(29,30)12-16(22(19)28)7-15-9-18(24)21(25)20(27)10-15/h4-6,8-10,16,19,22,26-28H,7,11-13,25H2,1-3H3/t16-,19+,22+/m1/s1 ULUXWXNJGWECOH-WVBUVRCRSA-N 50386505 CHEMBL2048042 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387583 160865588 CHEMBL2048042 ZINC84669483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216755 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(F)c3)[C@@H]2O)c1 InChI=1S/C23H31FN2O3S/c1-23(2,3)18-6-4-5-16(10-18)12-26-21-14-30(28,29)13-17(22(21)27)9-15-7-8-20(25)19(24)11-15/h4-8,10-11,17,21-22,26-27H,9,12-14,25H2,1-3H3/t17-,21+,22+/m1/s1 MBOBLSSYUAFPMA-WTNAPCKOSA-N 50386525 CHEMBL2047888 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386563 160865608 CHEMBL2047888 ZINC84739728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216756 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-32-21-15-37(34,35)14-18(24(21)33)9-17-11-20(27)23(31)22(12-17)36-8-7-26(28,29)30/h4-6,10-12,18,21,24,32-33H,7-9,13-15,31H2,1-3H3/t18-,21+,24+/m1/s1 HCNAIANLPZIMKT-ZHRMCQFGSA-N 50386509 CHEMBL2048046 Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387808 160865592 CHEMBL2048046 ZINC84670575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220043 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)[C@@H]3CCCO3)c2c1 InChI=1S/C32H43N3O6/c1-31(2,3)15-21-12-22-24(16-32(9-5-10-32)41-30(22)34-17-21)33-18-25(36)23(35-29(37)27-6-4-11-38-27)13-20-7-8-26-28(14-20)40-19-39-26/h7-8,12,14,17,23-25,27,33,36H,4-6,9-11,13,15-16,18-19H2,1-3H3,(H,35,37)/t23-,24-,25+,27-/m0/s1 GYFMZUJFUIFICF-CLPFNFTISA-N 50397677 CHEMBL2181881 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25142266 163346701 CHEMBL2181881 ZINC95577035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220044 CC(=O)N[C@@H](Cc1ccc(OC(F)F)c(OC(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H39F4N3O5/c1-17(38)37-21(11-18-6-7-24(40-27(31)32)25(12-18)41-28(33)34)23(39)16-35-22-14-30(8-5-9-30)42-26-20(22)10-19(15-36-26)13-29(2,3)4/h6-7,10,12,15,21-23,27-28,35,39H,5,8-9,11,13-14,16H2,1-4H3,(H,37,38)/t21-,22-,23+/m0/s1 AGUOMKYLIBUMLE-RJGXRXQPSA-N 50397683 CHEMBL2181886 Beta-secretase 1 Homo sapiens 238 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457465 163346707 CHEMBL2181886 ZINC95577505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220045 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccc(F)nc3)c2c1 InChI=1S/C33H39FN4O5/c1-32(2,3)14-21-11-23-25(15-33(9-4-10-33)43-31(23)37-16-21)35-18-26(39)24(38-30(40)22-6-8-29(34)36-17-22)12-20-5-7-27-28(13-20)42-19-41-27/h5-8,11,13,16-17,24-26,35,39H,4,9-10,12,14-15,18-19H2,1-3H3,(H,38,40)/t24-,25-,26+/m0/s1 GRVRRYKKHIRERQ-KKUQBAQOSA-N 50397672 CHEMBL2181828 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452117 163346696 CHEMBL2181828 ZINC95572677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220046 C[C@@H](F)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H40FN3O5/c1-18(31)27(36)34-22(11-19-6-7-25-26(12-19)38-17-37-25)24(35)16-32-23-14-30(8-5-9-30)39-28-21(23)10-20(15-33-28)13-29(2,3)4/h6-7,10,12,15,18,22-24,32,35H,5,8-9,11,13-14,16-17H2,1-4H3,(H,34,36)/t18-,22+,23+,24-/m1/s1 KCMGCUJYXNVZQQ-IBURTVSXSA-N 50397676 CHEMBL2181882 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270250 163346700 CHEMBL2181882 ZINC95573477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220047 CC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H39N3O5/c1-18(33)32-22(11-19-6-7-25-26(12-19)36-17-35-25)24(34)16-30-23-14-29(8-5-9-29)37-27-21(23)10-20(15-31-27)13-28(2,3)4/h6-7,10,12,15,22-24,30,34H,5,8-9,11,13-14,16-17H2,1-4H3,(H,32,33)/t22-,23-,24+/m0/s1 KHOYMTLYNVQONU-KMDXXIMOSA-N 50397682 CHEMBL2181887 Beta-secretase 1 Homo sapiens 5.5 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270704 163346706 CHEMBL2181887 ZINC95576880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220048 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccccc3F)c2c1 InChI=1S/C34H40FN3O5/c1-33(2,3)16-22-13-24-27(17-34(11-6-12-34)43-32(24)37-18-22)36-19-28(39)26(38-31(40)23-7-4-5-8-25(23)35)14-21-9-10-29-30(15-21)42-20-41-29/h4-5,7-10,13,15,18,26-28,36,39H,6,11-12,14,16-17,19-20H2,1-3H3,(H,38,40)/t26-,27-,28+/m0/s1 NAPFTANQOOCSJB-HZFUHODCSA-N 50397675 CHEMBL2181883 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459341 163346699 CHEMBL2181883 ZINC95573895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220049 CC(=O)N[C@@H](Cc1ccc2OCCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H41N3O5/c1-19(34)33-23(13-20-6-7-26-27(14-20)37-11-10-36-26)25(35)18-31-24-16-30(8-5-9-30)38-28-22(24)12-21(17-32-28)15-29(2,3)4/h6-7,12,14,17,23-25,31,35H,5,8-11,13,15-16,18H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 WDKYDCHLWJMLIC-CCDWMCETSA-N 50397681 CHEMBL2181829 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455687 163346705 CHEMBL2181829 ZINC95571826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220050 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3F)c2c1 InChI=1S/C33H39FN4O5/c1-32(2,3)15-21-12-23-25(16-33(9-5-10-33)43-31(23)37-17-21)36-18-26(39)24(38-30(40)22-6-4-11-35-29(22)34)13-20-7-8-27-28(14-20)42-19-41-27/h4,6-8,11-12,14,17,24-26,36,39H,5,9-10,13,15-16,18-19H2,1-3H3,(H,38,40)/t24-,25-,26+/m0/s1 PJSWLSWWNIITCK-KKUQBAQOSA-N 50397674 CHEMBL2181884 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462849 163346698 CHEMBL2181884 ZINC95573499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220051 COCC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H41N3O6/c1-29(2,3)13-20-10-21-23(14-30(8-5-9-30)39-28(21)32-15-20)31-16-24(34)22(33-27(35)17-36-4)11-19-6-7-25-26(12-19)38-18-37-25/h6-7,10,12,15,22-24,31,34H,5,8-9,11,13-14,16-18H2,1-4H3,(H,33,35)/t22-,23-,24+/m0/s1 VNRFICGTYGICPO-KMDXXIMOSA-N 50397680 CHEMBL2181830 Beta-secretase 1 Homo sapiens 5.4 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455688 163346704 CHEMBL2181830 ZINC95577432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220052 COCC(=O)N[C@@H](Cc1cccc(c1)C#CC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H43N3O4/c1-6-9-22-10-7-11-23(14-22)16-26(35-29(37)21-38-5)28(36)20-33-27-18-32(12-8-13-32)39-30-25(27)15-24(19-34-30)17-31(2,3)4/h7,10-11,14-15,19,26-28,33,36H,8,12-13,16-18,20-21H2,1-5H3,(H,35,37)/t26-,27-,28+/m0/s1 ODTHBEGKDAPUFY-HZFUHODCSA-N 50397687 CHEMBL2181897 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450309 163346711 CHEMBL2181897 ZINC95577443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220053 COCC(=O)N[C@@H](Cc1ccc(cc1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)16-22-14-24-26(17-32(10-5-11-32)40-29(24)35-18-22)34-19-27(37)25(36-28(38)20-39-4)15-21-6-8-23(9-7-21)30-33-12-13-41-30/h6-9,12-14,18,25-27,34,37H,5,10-11,15-17,19-20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 IANAVLJQRMMYRG-GMQQYTKMSA-N 50397686 CHEMBL2181898 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461110 163346710 CHEMBL2181898 ZINC95576484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220054 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-21-20-42-31(36-21)24-9-6-8-22(12-24)14-26(37-29(39)19-40-5)28(38)18-34-27-16-33(10-7-11-33)41-30-25(27)13-23(17-35-30)15-32(2,3)4/h6,8-9,12-13,17,20,26-28,34,38H,7,10-11,14-16,18-19H2,1-5H3,(H,37,39)/t26-,27-,28+/m0/s1 IBQBCHBBSWVJOQ-HZFUHODCSA-N 50397689 CHEMBL2181895 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457466 163346713 CHEMBL2181895 ZINC95572759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220055 COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H41N3O4/c1-6-21-9-7-10-22(13-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(11-8-12-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,7,9-10,13-14,18,25-27,32,35H,8,11-12,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/m0/s1 NVMABPBDYKXNKD-GMQQYTKMSA-N 50397688 CHEMBL2181896 Beta-secretase 1 Homo sapiens 7.1 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457467 163346712 CHEMBL2181896 ZINC95579323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220056 COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H41N3O4/c1-6-21-8-10-22(11-9-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(12-7-13-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,8-11,14,18,25-27,32,35H,7,12-13,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/m0/s1 FUDKQBKYDLVSHY-GMQQYTKMSA-N 50397685 CHEMBL2181899 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453953 163346709 CHEMBL2181899 ZINC95571727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220057 C[C@@H](O)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-20(37)28(39)36-25(15-21-7-5-8-23(13-21)30-33-11-12-41-30)27(38)19-34-26-17-32(9-6-10-32)40-29-24(26)14-22(18-35-29)16-31(2,3)4/h5,7-8,11-14,18,20,25-27,34,37-38H,6,9-10,15-17,19H2,1-4H3,(H,36,39)/t20-,25+,26+,27-/m1/s1 AYUUSOCQIYXYAL-BQRPEJFJSA-N 50397697 CHEMBL2181917 Beta-secretase 1 Homo sapiens 3.2 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457468 163346721 CHEMBL2181917 ZINC95573941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220058 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@@H]3CCCO3)c2c1 InChI=1S/C34H44N4O4S/c1-33(2,3)18-23-16-25-27(19-34(10-6-11-34)42-31(25)37-20-23)36-21-28(39)26(38-30(40)29-9-5-13-41-29)17-22-7-4-8-24(15-22)32-35-12-14-43-32/h4,7-8,12,14-16,20,26-29,36,39H,5-6,9-11,13,17-19,21H2,1-3H3,(H,38,40)/t26-,27-,28+,29-/m0/s1 DZIXUQJNRCUJQW-FKWFRFQNSA-N 50397698 CHEMBL2181916 Beta-secretase 1 Homo sapiens 9.2 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67269889 163346722 CHEMBL2181916 ZINC95579149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220059 COCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-20-13-23-25(16-32(9-6-10-32)41-29(23)36-17-20)35-18-26(38)24(37-27(39)19-40-4)14-21-7-5-8-22(28(21)33)30-34-11-12-42-30/h5,7-8,11-13,17,24-26,35,38H,6,9-10,14-16,18-19H2,1-4H3,(H,37,39)/t24-,25-,26+/m0/s1 IVHJMOJHRRFXHT-KKUQBAQOSA-N 50397714 CHEMBL2181900 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453954 163346738 CHEMBL2181900 ZINC95572682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220060 COCC(=O)N[C@@H](Cc1ccc(F)c(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-21-13-23-26(16-32(8-5-9-32)41-29(23)36-17-21)35-18-27(38)25(37-28(39)19-40-4)14-20-6-7-24(33)22(12-20)30-34-10-11-42-30/h6-7,10-13,17,25-27,35,38H,5,8-9,14-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1 XSFWBOOLWAKDFI-GMQQYTKMSA-N 50397713 CHEMBL2181901 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270599 163346737 CHEMBL2181901 ZINC95578730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220061 CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 OMMVFRZSBCRMQD-LJYZBVLISA-N 50397678 CHEMBL2181880 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KN 4DH6 56940718 163346702 CHEMBL2181880 ZINC95572350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220062 COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-21-9-7-10-22(28(21)32)14-24(35-27(37)19-38-5)26(36)18-33-25-16-31(11-8-12-31)39-29-23(25)13-20(17-34-29)15-30(2,3)4/h1,7,9-10,13,17,24-26,33,36H,8,11-12,14-16,18-19H2,2-5H3,(H,35,37)/t24-,25-,26+/m0/s1 DGWCRGXULLAKNL-KKUQBAQOSA-N 50397710 CHEMBL2181904 Beta-secretase 1 Homo sapiens 144 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450310 163346734 CHEMBL2181904 ZINC95578789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220063 COCC(=O)N[C@@H](Cc1ccc(F)c(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-22-12-20(8-9-24(22)32)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(10-7-11-31)39-29-23(26)13-21(17-34-29)15-30(2,3)4/h1,8-9,12-13,17,25-27,33,36H,7,10-11,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1 XMDOGYLRIDFOSQ-GMQQYTKMSA-N 50397709 CHEMBL2181905 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452124 163346733 CHEMBL2181905 ZINC95578199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220040 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3F)c2c1 InChI=1S/C33H39FN4O5/c1-32(2,3)15-21-12-23-25(16-33(9-5-10-33)43-31(23)37-17-21)36-18-26(39)24(38-30(40)22-6-4-11-35-29(22)34)13-20-7-8-27-28(14-20)42-19-41-27/h4,6-8,11-12,14,17,24-26,36,39H,5,9-10,13,15-16,18-19H2,1-3H3,(H,38,40)/t24-,25-,26+/m0/s1 PJSWLSWWNIITCK-KKUQBAQOSA-N 50397674 CHEMBL2181884 Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462849 163346698 CHEMBL2181884 ZINC95573499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220041 COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1OC InChI=1S/C30H43N3O5/c1-19(34)33-23(13-20-8-9-26(36-5)27(14-20)37-6)25(35)18-31-24-16-30(10-7-11-30)38-28-22(24)12-21(17-32-28)15-29(2,3)4/h8-9,12,14,17,23-25,31,35H,7,10-11,13,15-16,18H2,1-6H3,(H,33,34)/t23-,24-,25+/m0/s1 UVODFPUSJFFSKE-CCDWMCETSA-N 50397684 CHEMBL2181885 Beta-secretase 1 Homo sapiens 9.3 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68694939 163346708 CHEMBL2181885 ZINC95575178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220042 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3)c2c1 InChI=1S/C33H40N4O5/c1-32(2,3)15-22-12-24-26(16-33(9-5-10-33)42-31(24)36-17-22)35-19-27(38)25(37-30(39)23-6-4-11-34-18-23)13-21-7-8-28-29(14-21)41-20-40-28/h4,6-8,11-12,14,17-18,25-27,35,38H,5,9-10,13,15-16,19-20H2,1-3H3,(H,37,39)/t25-,26-,27+/m0/s1 DEZCGBNUMKGKRI-GMQQYTKMSA-N 50397673 CHEMBL2181827 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm300119p 10.7270/Q2F190W2 22468639 Weiss, MM; Williamson, T; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dineen, TA; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; Rattan, C; San Miguel, T; Sickmier, EA; Wahl, RC; Wen, PH; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462843 163346697 CHEMBL2181827 ZINC95572765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220064 COCC(=O)N[C@@H](Cc1cc(F)cc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-21-12-24-26(16-32(6-5-7-32)41-29(24)36-17-21)35-18-27(38)25(37-28(39)19-40-4)13-20-10-22(14-23(33)11-20)30-34-8-9-42-30/h8-12,14,17,25-27,35,38H,5-7,13,15-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1 JBBUENLSUWMDMI-GMQQYTKMSA-N 50397712 CHEMBL2181902 Beta-secretase 1 Homo sapiens 7.3 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25142134 163346736 CHEMBL2181902 ZINC95579766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220065 COCC(=O)N[C@@H](Cc1cc(ccc1F)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-20-12-23-26(16-32(8-5-9-32)41-29(23)36-17-20)35-18-27(38)25(37-28(39)19-40-4)14-22-13-21(6-7-24(22)33)30-34-10-11-42-30/h6-7,10-13,17,25-27,35,38H,5,8-9,14-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1 GJNXRLZLOPXPDU-GMQQYTKMSA-N 50397711 CHEMBL2181903 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462850 163346735 CHEMBL2181903 ZINC95575009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220066 CCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O3S/c1-5-28(38)36-25(16-21-8-6-9-23(14-21)30-33-12-13-40-30)27(37)20-34-26-18-32(10-7-11-32)39-29-24(26)15-22(19-35-29)17-31(2,3)4/h6,8-9,12-15,19,25-27,34,37H,5,7,10-11,16-18,20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 MRNBFGIRQWINAX-GMQQYTKMSA-N 50397705 CHEMBL2181909 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452125 163346729 CHEMBL2181909 ZINC95577681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220067 CC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40N4O3S/c1-20(36)35-25(15-21-7-5-8-23(13-21)29-32-11-12-39-29)27(37)19-33-26-17-31(9-6-10-31)38-28-24(26)14-22(18-34-28)16-30(2,3)4/h5,7-8,11-14,18,25-27,33,37H,6,9-10,15-17,19H2,1-4H3,(H,35,36)/t25-,26-,27+/m0/s1 CATNTJQWQKGLJS-GMQQYTKMSA-N 50397706 CHEMBL2181908 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459343 163346730 CHEMBL2181908 ZINC95577022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220068 COCC(=O)N[C@@H](Cc1cc(ccc1F)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-20-8-9-24(32)22(12-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(10-7-11-31)39-29-23(26)13-21(17-34-29)15-30(2,3)4/h1,8-9,12-13,17,25-27,33,36H,7,10-11,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1 GSNQLUPJBZVXTJ-GMQQYTKMSA-N 50397707 CHEMBL2181907 Beta-secretase 1 Homo sapiens 2.9 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462851 163346731 CHEMBL2181907 ZINC95575692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220069 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccncc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C34H44N4O4/c1-33(2,3)18-24-16-27-29(19-34(11-6-12-34)42-32(27)37-20-24)36-21-30(39)28(38-31(40)22-41-4)17-23-7-5-8-26(15-23)25-9-13-35-14-10-25/h5,7-10,13-16,20,28-30,36,39H,6,11-12,17-19,21-22H2,1-4H3,(H,38,40)/t28-,29-,30+/m0/s1 JSYZFOJZNAGVKR-OIFRRMEBSA-N 50397696 CHEMBL2181888 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270792 163346720 CHEMBL2181888 ZINC95578779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220070 COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-20-10-21(12-23(32)11-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(8-7-9-31)39-29-24(26)13-22(17-34-29)15-30(2,3)4/h1,10-13,17,25-27,33,36H,7-9,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1 QSNMNIQIQWYQGN-GMQQYTKMSA-N 50397708 CHEMBL2181906 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25143473 163346732 CHEMBL2181906 ZINC95577568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220074 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccccn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C34H44N4O4/c1-33(2,3)18-24-16-26-29(19-34(12-8-13-34)42-32(26)37-20-24)36-21-30(39)28(38-31(40)22-41-4)17-23-9-7-10-25(15-23)27-11-5-6-14-35-27/h5-7,9-11,14-16,20,28-30,36,39H,8,12-13,17-19,21-22H2,1-4H3,(H,38,40)/t28-,29-,30+/m0/s1 KSQJUIXMCGQLTA-OIFRRMEBSA-N 50397695 CHEMBL2181889 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270914 163346719 CHEMBL2181889 ZINC95575177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220105 COCC(=O)N[C@@H](Cc1ccc(F)c(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-22-12-20(8-9-24(22)32)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(10-7-11-31)39-29-23(26)13-21(17-34-29)15-30(2,3)4/h1,8-9,12-13,17,25-27,33,36H,7,10-11,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1 XMDOGYLRIDFOSQ-GMQQYTKMSA-N 50397709 CHEMBL2181905 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452124 163346733 CHEMBL2181905 ZINC95578199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220106 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@H]3CCCO3)c2c1 InChI=1S/C34H44N4O4S/c1-33(2,3)18-23-16-25-27(19-34(10-6-11-34)42-31(25)37-20-23)36-21-28(39)26(38-30(40)29-9-5-13-41-29)17-22-7-4-8-24(15-22)32-35-12-14-43-32/h4,7-8,12,14-16,20,26-29,36,39H,5-6,9-11,13,17-19,21H2,1-3H3,(H,38,40)/t26-,27-,28+,29+/m0/s1 DZIXUQJNRCUJQW-QUAHOIDUSA-N 50397699 CHEMBL2181915 Beta-secretase 1 Homo sapiens 6.3 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270633 163346723 CHEMBL2181915 ZINC95578118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220107 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ncco1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O5/c1-31(2,3)16-22-14-24-26(17-32(9-6-10-32)41-30(24)35-18-22)34-19-27(37)25(36-28(38)20-39-4)15-21-7-5-8-23(13-21)29-33-11-12-40-29/h5,7-8,11-14,18,25-27,34,37H,6,9-10,15-17,19-20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 ZSKDOJWDZUSTHX-GMQQYTKMSA-N 50397694 CHEMBL2181890 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270974 163346718 CHEMBL2181890 ZINC95571610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220108 COC(OC)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O5S/c1-32(2,3)17-22-15-24-26(18-33(10-7-11-33)42-29(24)36-19-22)35-20-27(38)25(37-28(39)31(40-4)41-5)16-21-8-6-9-23(14-21)30-34-12-13-43-30/h6,8-9,12-15,19,25-27,31,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t25-,26-,27+/m0/s1 WFBCFVCVDDNMLZ-GMQQYTKMSA-N 50397700 CHEMBL2181914 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67269595 163346724 CHEMBL2181914 ZINC95577433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220109 CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C34H46N4O4S/c1-6-41-22(2)30(40)38-27(17-23-9-7-10-25(15-23)32-35-13-14-43-32)29(39)21-36-28-19-34(11-8-12-34)42-31-26(28)16-24(20-37-31)18-33(3,4)5/h7,9-10,13-16,20,22,27-29,36,39H,6,8,11-12,17-19,21H2,1-5H3,(H,38,40)/t22-,27+,28+,29-/m1/s1 BTSCNDCMLRNJTB-KZNIJNHCSA-N 50397701 CHEMBL2181913 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462852 163346725 CHEMBL2181913 ZINC95573999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220110 CO[C@@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26-,27-,28+/m0/s1 IUSARDYWEPUTPN-WNQFUHBBSA-N 50397702 CHEMBL2181912 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270281 163346726 CHEMBL2181912 ZINC95574641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220111 COCC(=O)N[C@@H](Cc1cccc(c1)-c1cncs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)14-22-12-24-26(15-32(9-6-10-32)40-30(24)35-16-22)34-17-27(37)25(36-29(38)19-39-4)13-21-7-5-8-23(11-21)28-18-33-20-41-28/h5,7-8,11-12,16,18,20,25-27,34,37H,6,9-10,13-15,17,19H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 QQEJGTCLITVFBA-GMQQYTKMSA-N 50397691 CHEMBL2181893 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461109 163346715 CHEMBL2181893 ZINC95577545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220112 CO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1 IUSARDYWEPUTPN-OZBXUNDUSA-N 50397703 CHEMBL2181911 Beta-secretase 1 Homo sapiens 5.5 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0K9 4DI2 60202321 163346727 CHEMBL2181911 ZINC43206371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220113 COCC(=O)N[C@@H](Cc1cccc(c1)-c1cscn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)14-22-12-24-26(15-32(9-6-10-32)40-30(24)34-16-22)33-17-28(37)25(36-29(38)18-39-4)13-21-7-5-8-23(11-21)27-19-41-20-35-27/h5,7-8,11-12,16,19-20,25-26,28,33,37H,6,9-10,13-15,17-18H2,1-4H3,(H,36,38)/t25-,26-,28+/m0/s1 PRYJXFKQLNPQBU-UNCTUWKVSA-N 50397690 CHEMBL2181894 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270717 163346714 CHEMBL2181894 ZINC95577470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221229 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H60N8O14/c1-19(2)15-26(45-38(59)27(18-30(41)49)46-35(56)22(5)43-36(57)24(40)11-13-31(50)51)29(48)16-20(3)33(54)42-21(4)34(55)44-25(12-14-32(52)53)37(58)47-28(39(60)61)17-23-9-7-6-8-10-23/h6-10,19-22,24-29,48H,11-18,40H2,1-5H3,(H2,41,49)(H,42,54)(H,43,57)(H,44,55)(H,45,59)(H,46,56)(H,47,58)(H,50,51)(H,52,53)(H,60,61)/t20-,21+,22+,24+,25+,26+,27+,28+,29+/m1/s1 CLERMUXQFLMEID-WHGJERFBSA-N 50400805 CHEMBL2204316 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455788 163349829 CHEMBL2204316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221247 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 LTHZWJXJHAGGMX-QIKUIUABSA-N 50212189 2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-benzonitrile::CHEMBL401180 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44441743 104088203 CHEMBL401180 ZINC28950044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221253 CCCN(c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O InChI=1S/C30H36FN3O5S/c1-5-15-34(40(4,37)38)27-17-23(20-39-29(36)30(3,32)19-22-9-7-6-8-10-22)16-25(18-27)28(35)33-21(2)24-11-13-26(31)14-12-24/h6-14,16-18,21H,5,15,19-20,32H2,1-4H3,(H,33,35)/t21-,30-/m1/s1 CBQWVCKBPKQBPJ-IIMAJNMQSA-N 50400804 CHEMBL2203629 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459395 163349828 CHEMBL2203629 ZINC95563701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224501 NC1=NC2(CC2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25) COCAUCFPFHUGAA-UHFFFAOYSA-N 50428339 CHEMBL2331714 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/ml400060e 10.7270/Q2Z039GF 24900681 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71486743 164157214 CHEMBL2331714 ZINC95590063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224502 NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1 WTFJZOZDEFATIG-BLVKFPJESA-N 50428341 CHEMBL2331713 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/ml400060e 10.7270/Q2Z039GF 24900681 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183925 164157216 CHEMBL2331713 ZINC95590293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224503 NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1 COCAUCFPFHUGAA-MGNBDDOMSA-N 50428340 CHEMBL2331712 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/ml400060e 10.7270/Q2Z039GF 24900681 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71202307 164157215 CHEMBL2331712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224504 NC1=NC2(CC2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24) WQDXYYJHDFSNIX-UHFFFAOYSA-N 50428342 CHEMBL2331710 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/ml400060e 10.7270/Q2Z039GF 24900681 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183901 164157217 CHEMBL2331710 ZINC95589213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224505 NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c20-15-3-2-13(24-17(26)16-4-1-11(9-21)10-23-16)7-14(15)19-8-12(19)5-6-27-18(22)25-19/h1-4,7,10,12H,5-6,8H2,(H2,22,25)(H,24,26)/t12-,19+/m1/s1 WTFJZOZDEFATIG-BLVKFPJESA-N 50428341 CHEMBL2331713 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1021/ml400060e 10.7270/Q2Z039GF 24900681 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183925 164157216 CHEMBL2331713 ZINC95590293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224506 NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H17ClN4OS/c19-13-4-5-15(21-10-13)16(24)22-14-3-1-2-11(8-14)18-9-12(18)6-7-25-17(20)23-18/h1-5,8,10,12H,6-7,9H2,(H2,20,23)(H,22,24)/t12-,18-/m1/s1 WQDXYYJHDFSNIX-KZULUSFZSA-N 50428343 CHEMBL2331708 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/ml400060e 10.7270/Q2Z039GF 24900681 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71183951 164157218 CHEMBL2331708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210100 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1 YKYXAHIQYWIJPR-PNTFMKQHSA-N 50231691 CHEMBL402120::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(methylsulfonyl)benzamide Beta-secretase 1 Homo sapiens 5400 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44446196 104055258 CHEMBL402120 ZINC28978356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210101 CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 WQAFOQHZNVQHFW-KEPSJGTLSA-N 50373804 CHEMBL257871 Beta-secretase 1 Homo sapiens 990 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454839 160852905 CHEMBL257871 ZINC29128163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210102 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C29H40N4O5S/c1-21(28(35)31-24-13-6-3-7-14-24)30-20-27(34)26(18-22-10-4-2-5-11-22)32-29(36)23-12-8-15-25(19-23)33-16-9-17-39(33,37)38/h2,4-5,8,10-12,15,19,21,24,26-27,30,34H,3,6-7,9,13-14,16-18,20H2,1H3,(H,31,35)(H,32,36)/t21-,26-,27+/m0/s1 PXYHFUBZOJLFQW-NJTBCWBZSA-N 50373813 CHEMBL271437 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454543 160852914 CHEMBL271437 ZINC29127650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210103 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210104 CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 WQAFOQHZNVQHFW-KEPSJGTLSA-N 50373804 CHEMBL257871 Beta-secretase 1 Homo sapiens 72 ChEMBL 10.1016/j.bmcl.2007.12.017 10.7270/Q2PG1SK5 18171614 Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50373804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50373804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454839 160852905 CHEMBL257871 ZINC29128163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211176 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1 InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1 DCJGHBWTJFHQCR-UEHMVRIRSA-N 50377855 CHEMBL406317 Beta-secretase 1 Homo sapiens 5001 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 009 3CKR 24801865 160856938 CHEMBL406317 ZINC29049068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211177 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1 InChI=1S/C30H36FN5O3/c1-35(2)25-10-6-9-23(15-25)17-32-18-28(37)26(16-21-7-4-3-5-8-21)33-29(38)27-20-36(30(39)34-27)19-22-11-13-24(31)14-12-22/h3-15,26-28,32,37H,16-20H2,1-2H3,(H,33,38)(H,34,39)/t26-,27-,28+/m0/s1 ZPUOCRDDGKPTED-HZFUHODCSA-N 50377850 CHEMBL260635 Beta-secretase 1 Homo sapiens 11630 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233329 160856933 CHEMBL260635 ZINC29048672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211178 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CNC(=O)N2)c1 InChI=1S/C23H31N5O3/c1-28(2)18-10-6-9-17(11-18)13-24-15-21(29)19(12-16-7-4-3-5-8-16)26-22(30)20-14-25-23(31)27-20/h3-11,19-21,24,29H,12-15H2,1-2H3,(H,26,30)(H2,25,27,31)/t19-,20-,21+/m0/s1 WCVFUXDBYVQDOO-PCCBWWKXSA-N 50377861 CHEMBL409665 Beta-secretase 1 Homo sapiens 19004 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232085 160856944 CHEMBL409665 ZINC29049511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211179 COc1cccc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)c1 InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1 MCBWJRZWLSXSBN-YTCPBCGMSA-N 50377852 CHEMBL261655 Beta-secretase 1 Homo sapiens 449 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 012 3CKP 24801864 160856935 CHEMBL261655 ZINC24978194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211180 COc1cc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)cc(OC)c1 InChI=1S/C32H41N5O5/c1-36(2)25-12-8-11-23(13-25)18-33-19-30(38)28(16-22-9-6-5-7-10-22)34-31(39)29-21-37(32(40)35-29)20-24-14-26(41-3)17-27(15-24)42-4/h5-15,17,28-30,33,38H,16,18-21H2,1-4H3,(H,34,39)(H,35,40)/t28-,29-,30+/m0/s1 KBLFYWPNKJNKAP-OIFRRMEBSA-N 50377851 CHEMBL405204 Beta-secretase 1 Homo sapiens 662 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44449874 160856934 CHEMBL405204 ZINC29048791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211181 CCCCN1C[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)N(C)C InChI=1S/C27H39N5O3/c1-4-5-14-32-19-24(30-27(32)35)26(34)29-23(16-20-10-7-6-8-11-20)25(33)18-28-17-21-12-9-13-22(15-21)31(2)3/h6-13,15,23-25,28,33H,4-5,14,16-19H2,1-3H3,(H,29,34)(H,30,35)/t23-,24-,25+/m0/s1 OMCXZIAFOUYSHW-CCDWMCETSA-N 50377862 CHEMBL260174 Beta-secretase 1 Homo sapiens 39989 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450018 160856945 CHEMBL260174 ZINC29049516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211182 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 InChI=1S/C30H37N5O3/c1-34(2)25-15-9-14-24(16-25)18-31-19-28(36)26(17-22-10-5-3-6-11-22)32-29(37)27-21-35(30(38)33-27)20-23-12-7-4-8-13-23/h3-16,26-28,31,36H,17-21H2,1-2H3,(H,32,37)(H,33,38)/t26-,27-,28+/m0/s1 XJUSYKPBTXPUAH-HZFUHODCSA-N 50377837 CHEMBL411124 Beta-secretase 1 Homo sapiens 284 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232084 160856920 CHEMBL411124 ZINC29049676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211183 CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C32H36F4N4O3/c1-32(2,3)22-6-4-5-19(7-22)15-37-16-29(41)27(12-20-8-23(33)13-24(34)9-20)38-30(42)28-18-40(31(43)39-28)17-21-10-25(35)14-26(36)11-21/h4-11,13-14,27-29,37,41H,12,15-18H2,1-3H3,(H,38,42)(H,39,43)/t27-,28-,29+/m0/s1 AJVQSIIGUPEAOP-YTCPBCGMSA-N 50377859 CHEMBL260621 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25066444 160856942 CHEMBL260621 ZINC29050216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211184 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1 InChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1 VNUBIZBPCBGZAL-HZFUHODCSA-N 50377846 CHEMBL410865 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232817 160856929 CHEMBL410865 ZINC29048497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211185 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1 InChI=1S/C31H36F3N5O3/c1-38(2)24-13-8-11-22(15-24)17-35-18-28(40)26(16-21-9-4-3-5-10-21)36-29(41)27-20-39(30(42)37-27)19-23-12-6-7-14-25(23)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1 IQKLZHGBNUDGHR-HZFUHODCSA-N 50377845 CHEMBL260722 Beta-secretase 1 Homo sapiens 267 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233156 160856928 CHEMBL260722 ZINC29048499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211186 CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C31H36F2N4O3/c1-20(2)24-10-6-9-22(11-24)16-34-17-29(38)27(14-21-7-4-3-5-8-21)35-30(39)28-19-37(31(40)36-28)18-23-12-25(32)15-26(33)13-23/h3-13,15,20,27-29,34,38H,14,16-19H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+/m0/s1 DIVOTBMEMUKMAL-YTCPBCGMSA-N 50377860 CHEMBL411917 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450198 160856943 CHEMBL411917 ZINC29050577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211187 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-23(31)15-24(32)12-22/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 WUINFQUMQLJWPY-HZFUHODCSA-N 50377847 CHEMBL413999 Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25233503 160856930 CHEMBL413999 ZINC29048502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211188 O[C@H](CNCc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 InChI=1S/C29H31F3N4O4/c30-29(31,32)40-23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1 ALDJXOMRVJRQQK-KKUQBAQOSA-N 50377842 CHEMBL259083 Beta-secretase 1 Homo sapiens 1881 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44450200 160856925 CHEMBL259083 ZINC29050586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211189 CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-22-11-23(31)15-24(32)12-22)34-29(39)27-19-37(30(40)35-27)18-20-7-4-3-5-8-20/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1 PJNQEXSGZMHMGP-HZFUHODCSA-N 50377840 CHEMBL405889 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1016/j.bmcl.2008.03.081 10.7270/Q2RV0PKZ 18434152 Park, H; Min, K; Kwak, HS; Koo, KD; Lim, D; Seo, SW; Choi, JU; Platt, B; Choi, DY LG Life Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25232984 160856923 CHEMBL405889 ZINC29050211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213415 CC(C)c1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C23H24N6O/c1-14(2)20-10-19(8-15(3)27-20)23(21(30)29(4)22(24)28-23)18-7-5-6-16(9-18)17-11-25-13-26-12-17/h5-14H,1-4H3,(H2,24,28) VXCKGUCJPIJYJT-UHFFFAOYSA-N 50310161 CHEMBL597073::rac-2-amino-4-(2-isopropyl-6-methylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231499 104144522 CHEMBL597073 ZINC45358879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213416 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) TWVGNKMRZLBNOD-UHFFFAOYSA-N 50303719 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566200::rac-2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X45 3INF 11516577 104158080 CHEMBL566200 ZINC45245214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213417 CCc1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H22N6O/c1-4-19-10-18(8-14(2)26-19)22(20(29)28(3)21(23)27-22)17-7-5-6-15(9-17)16-11-24-13-25-12-16/h5-13H,4H2,1-3H3,(H2,23,27) YWXKDGOOFUZNNG-UHFFFAOYSA-N 50310160 CHEMBL603664::rac-2-amino-4-(2-ethyl-6-methylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231498 104144521 CHEMBL603664 ZINC45385176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213418 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) FZVZGKTWGPYMHW-UHFFFAOYSA-N 50303717 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL566011::rac-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488119 104158078 CHEMBL566011 ZINC45246053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213419 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18) IMGNUVBMHZZYCN-UHFFFAOYSA-N 50310154 2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL597233::rac-2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 2680 ChEMBL 10.1016/j.bmc.2009.12.007 10.7270/Q2DV1KT4 20045648 Malamas, MS; Barnes, K; Johnson, M; Hui, Y; Zhou, P; Turner, J; Hu, Y; Wagner, E; Fan, K; Chopra, R; Olland, A; Bard, J; Pangalos, M; Reinhart, P; Robichaud, AJ Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951413 104144515 CHEMBL597233 ZINC34806279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213420 Oc1ccc(cc1C(=O)NN=C1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc12)[N+]([O-])=O InChI=1S/C23H23N5O6/c29-19-11-10-15(28(33)34)12-17(19)22(31)26-25-21-16-8-4-5-9-18(16)27(23(21)32)13-20(30)24-14-6-2-1-3-7-14/h4-5,8-12,14,29H,1-3,6-7,13H2,(H,24,30)(H,26,31) SQTQXPGKAODOQE-UHFFFAOYSA-N 50311848 CHEMBL1080086::N-cyclohexyl-2-(3-(2-(2-hydroxy-5-nitrobenzoyl)hydrazono)-2-oxoindolin-1-yl)acetamide Beta-secretase 1 Homo sapiens 4800 ChEMBL 10.1016/j.bmcl.2009.09.103 10.7270/Q2VT1T2V 19854048 Yi Mok, N; Chadwick, J; Kellett, KA; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50311848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50311848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46879599 104146209 CHEMBL1080086 ZINC49089155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213421 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2009.09.103 10.7270/Q2VT1T2V 19854048 Yi Mok, N; Chadwick, J; Kellett, KA; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213422 Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1 InChI=1S/C24H19N5O6/c1-14-6-8-15(9-7-14)25-21(31)13-28-19-5-3-2-4-17(19)22(24(28)33)26-27-23(32)18-12-16(29(34)35)10-11-20(18)30/h2-12,30H,13H2,1H3,(H,25,31)(H,27,32) VSKNCRWEPCCMFA-UHFFFAOYSA-N 50311847 2-(3-(2-(2-hydroxy-5-nitrobenzoyl)hydrazono)-2-oxoindolin-1-yl)-N-p-tolylacetamide::CHEMBL1080295::cid_5758016 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2009.09.103 10.7270/Q2VT1T2V 19854048 Yi Mok, N; Chadwick, J; Kellett, KA; Hooper, NM; Johnson, AP; Fishwick, CW University of Leeds http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50311847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50311847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5758016 104146208 CHEMBL1080295 ZINC01922677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215600 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C18H17FN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22) SYCWNJCJKWUGNM-UHFFFAOYSA-N 50379876 CHEMBL2012006 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11609507 160858959 CHEMBL2012006 ZINC35929931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215650 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C19H17N5O/c1-24-17(25)19(15-5-6-15,23-18(24)21)16-4-2-3-13(8-16)14-7-12(9-20)10-22-11-14/h2-4,7-8,10-11,15H,5-6H2,1H3,(H2,21,23) YNHHKAKPUCUXLP-UHFFFAOYSA-N 50379878 CHEMBL2012005 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262314 160858961 CHEMBL2012005 ZINC84616429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216757 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H32F4N2O4S/c1-24(2,3)18-6-4-5-15(8-18)11-31-20-13-36(33,34)12-17(23(20)32)7-16-9-19(26)22(30)21(10-16)35-14-25(27,28)29/h4-6,8-10,17,20,23,31-32H,7,11-14,30H2,1-3H3/t17-,20+,23+/m1/s1 YRHFGCZZOFVMRB-MONBJTKQSA-N 50386508 CHEMBL2048045 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387807 160865591 CHEMBL2048045 ZINC84652521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216758 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H33F3N2O4S/c1-25(2,3)18-6-4-5-15(8-18)11-30-20-14-35(32,33)13-17(24(20)31)7-16-9-19(26)23(29)21(10-16)34-12-22(27)28/h4-6,8-10,17,20,22,24,30-31H,7,11-14,29H2,1-3H3/t17-,20+,24+/m1/s1 OKTQFOQHXKETNN-YQOVMPOYSA-N 50386507 CHEMBL2048044 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25196090 160865590 CHEMBL2048044 ZINC59048971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216759 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCF)c3)[C@@H]2O)c1 InChI=1S/C25H34F2N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-29-21-15-34(31,32)14-18(24(21)30)9-17-11-20(27)23(28)22(12-17)33-8-7-26/h4-6,10-12,18,21,24,29-30H,7-9,13-15,28H2,1-3H3/t18-,21+,24+/m1/s1 CZVMWVSTYZAQPV-ZHRMCQFGSA-N 50386506 CHEMBL2048043 Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387806 160865589 CHEMBL2048043 ZINC84669484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216760 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 InChI=1S/C23H30BrFN2O3S/c1-23(2,3)17-6-4-5-14(8-17)11-27-20-13-31(29,30)12-16(22(20)28)7-15-9-18(24)21(26)19(25)10-15/h4-6,8-10,16,20,22,27-28H,7,11-13,26H2,1-3H3/t16-,20+,22+/m1/s1 ZFYVKSUBHAFIJY-BUVFEPMLSA-N 50386526 CHEMBL2047889 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386811 160865609 CHEMBL2047889 ZINC84669503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216761 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(Br)c3)[C@@H]2O)c1 InChI=1S/C23H31BrN2O3S/c1-23(2,3)18-6-4-5-16(10-18)12-26-21-14-30(28,29)13-17(22(21)27)9-15-7-8-20(25)19(24)11-15/h4-8,10-11,17,21-22,26-27H,9,12-14,25H2,1-3H3/t17-,21+,22+/m1/s1 BKXQIIZJPNDNCG-WTNAPCKOSA-N 50386518 CHEMBL2047890 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386812 160865601 CHEMBL2047890 ZINC84669504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216762 CC(F)(F)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 InChI=1S/C21H24BrF3N2O3S/c1-21(24,25)15-4-2-3-12(6-15)9-27-18-11-31(29,30)10-14(20(18)28)5-13-7-16(22)19(26)17(23)8-13/h2-4,6-8,14,18,20,27-28H,5,9-11,26H2,1H3/t14-,18+,20+/m1/s1 QBRKIXCNLLQOPH-WNYOCNMUSA-N 50386527 CHEMBL2047891 Beta-secretase 1 Homo sapiens 4980 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GS 3VF3 57386813 160865610 CHEMBL2047891 ZINC84669505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216763 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C24H31F3N2O4S/c1-23(2,3)18-6-4-5-16(10-18)12-29-20-14-34(31,32)13-17(22(20)30)9-15-7-8-19(28)21(11-15)33-24(25,26)27/h4-8,10-11,17,20,22,29-30H,9,12-14,28H2,1-3H3/t17-,20+,22+/m1/s1 WXCDYKNOGRLTKM-AGHHOFFYSA-N 50386528 CHEMBL2047892 Beta-secretase 1 Homo sapiens 1120 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386814 160865611 CHEMBL2047892 ZINC84669884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216764 C[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C26H34F4N2O4S/c1-15(26(28,29)30)36-22-11-17(10-20(27)23(22)31)8-18-13-37(34,35)14-21(24(18)33)32-12-16-6-5-7-19(9-16)25(2,3)4/h5-7,9-11,15,18,21,24,32-33H,8,12-14,31H2,1-4H3/t15-,18-,21+,24+/m1/s1 ULGBCGLZQYCGRH-SPCUFACSSA-N 50386512 CHEMBL2048050 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388037 160865595 CHEMBL2048050 ZINC84668746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216765 CC(C)Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O4S/c1-16(2)33-23-12-18(11-21(27)24(23)28)9-19-14-34(31,32)15-22(25(19)30)29-13-17-7-6-8-20(10-17)26(3,4)5/h6-8,10-12,16,19,22,25,29-30H,9,13-15,28H2,1-5H3/t19-,22+,25+/m1/s1 MJSZIFUBLNLANV-WPWBMXPQSA-N 50386511 CHEMBL2048049 Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387810 160865594 CHEMBL2048049 ZINC84668417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216766 COCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O5S/c1-26(2,3)20-7-5-6-17(11-20)14-29-22-16-35(31,32)15-19(25(22)30)10-18-12-21(27)24(28)23(13-18)34-9-8-33-4/h5-7,11-13,19,22,25,29-30H,8-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1 OWRCJHJKEDPHJO-WPWBMXPQSA-N 50386510 CHEMBL2048048 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624237 160865593 CHEMBL2048048 ZINC84671044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216767 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1 XUPJXTGHHHIDNH-WVBUVRCRSA-N 50386487 CHEMBL2048047 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387809 160865570 CHEMBL2048047 ZINC68267545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216768 CCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C28H38F4N2O5S/c1-5-38-14-24(28(30,31)32)39-23-12-18(11-21(29)25(23)33)9-19-15-40(36,37)16-22(26(19)35)34-13-17-7-6-8-20(10-17)27(2,3)4/h6-8,10-12,19,22,24,26,34-35H,5,9,13-16,33H2,1-4H3/t19-,22+,24-,26+/m1/s1 UJZFSYZNJMWXJO-NJONLQHESA-N 50386513 CHEMBL2048051 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BXD 4D89,4D8C 44625397 160865596 CHEMBL2048051 ZINC84669160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216769 COC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C27H36F4N2O5S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-39(35,36)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)38-23(13-37-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+/m1/s1 OJCPUZZPOIXSSB-YIOTYYGMSA-N 50386515 CHEMBL2048053 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44625099 160865598 CHEMBL2048053 ZINC68267544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216770 CCCc1n[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12 InChI=1S/C27H37N3O3S/c1-5-7-23-22-14-18(10-11-24(22)30-29-23)12-20-16-34(32,33)17-25(26(20)31)28-15-19-8-6-9-21(13-19)27(2,3)4/h6,8-11,13-14,20,25-26,28,31H,5,7,12,15-17H2,1-4H3,(H,29,30)/t20-,25+,26+/m1/s1 RCZHEAXBWJEWSG-BQQUOAEZSA-N 50386532 CHEMBL2047896 Beta-secretase 1 Homo sapiens 3520 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385772 160865615 CHEMBL2047896 ZINC84668845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216771 CCOC[C@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C28H38F4N2O5S/c1-5-38-14-24(28(30,31)32)39-23-12-18(11-21(29)25(23)33)9-19-15-40(36,37)16-22(26(19)35)34-13-17-7-6-8-20(10-17)27(2,3)4/h6-8,10-12,19,22,24,26,34-35H,5,9,13-16,33H2,1-4H3/t19-,22+,24+,26+/m1/s1 UJZFSYZNJMWXJO-VWMGCSKSSA-N 50386514 CHEMBL2048052 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44625321 160865597 CHEMBL2048052 ZINC84669161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216772 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]ccc4c3)[C@@H]2O)c1 InChI=1S/C25H32N2O3S/c1-25(2,3)21-6-4-5-18(13-21)14-27-23-16-31(29,30)15-20(24(23)28)12-17-7-8-22-19(11-17)9-10-26-22/h4-11,13,20,23-24,26-28H,12,14-16H2,1-3H3/t20-,23+,24+/m1/s1 GZRMXDBZPVHCTP-QDSKXPNFSA-N 50386519 CHEMBL2047897 Beta-secretase 1 Homo sapiens 2010 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385773 160865602 CHEMBL2047897 ZINC84668846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216773 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)F)c4c3)[C@@H]2O)c1 InChI=1S/C27H34F2N2O3S/c1-27(2,3)21-6-4-5-18(10-21)13-30-24-16-35(33,34)15-20(26(24)32)9-17-7-8-23-22(11-17)19(14-31-23)12-25(28)29/h4-8,10-11,14,20,24-26,30-32H,9,12-13,15-16H2,1-3H3/t20-,24+,26+/m1/s1 OOZZVYSXZBAROL-PSUQPPDWSA-N 50386533 CHEMBL2047898 Beta-secretase 1 Homo sapiens 7420 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GT 4D83,3VG1 57387067 160865616 CHEMBL2047898 ZINC84653228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216774 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)[C@@H]2O)c1 InChI=1S/C27H33F3N2O3S/c1-26(2,3)21-6-4-5-18(10-21)13-31-24-16-36(34,35)15-19(25(24)33)9-17-7-8-23-22(11-17)20(14-32-23)12-27(28,29)30/h4-8,10-11,14,19,24-25,31-33H,9,12-13,15-16H2,1-3H3/t19-,24+,25+/m1/s1 OXBSBQCQNMHCTP-NGXZDTIWSA-N 50386521 CHEMBL2047899 Beta-secretase 1 Homo sapiens 2060 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387068 160865604 CHEMBL2047899 ZINC84653614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216775 CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H30F7N3O4S/c1-23(2,3)15-4-5-34-16(9-15)10-35-18-12-40(37,38)11-14(21(18)36)6-13-7-17(26)20(33)19(8-13)39-22(24(27,28)29)25(30,31)32/h4-5,7-9,14,18,21-22,35-36H,6,10-12,33H2,1-3H3/t14-,18+,21+/m1/s1 BXBKECSXPXOHQB-IBZMOEQTSA-N 50386480 CHEMBL2048057 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388041 160865563 CHEMBL2048057 ZINC84653246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216776 CC(C)(C)O[C@H]1C[C@@H]1CN[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O InChI=1S/C23H31F7N2O5S/c1-21(2,3)37-16-7-12(16)8-32-15-10-38(34,35)9-13(19(15)33)4-11-5-14(24)18(31)17(6-11)36-20(22(25,26)27)23(28,29)30/h5-6,12-13,15-16,19-20,32-33H,4,7-10,31H2,1-3H3/t12-,13-,15+,16+,19+/m1/s1 RNURIPCMDOBQGW-LBMFQQPPSA-N 50386479 CHEMBL2048056 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388040 160865562 CHEMBL2048056 ZINC84652857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216777 CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O3S/c1-5-7-19-10-18(13-22(27)24(19)28)11-20-15-33(31,32)16-23(25(20)30)29-14-17-8-6-9-21(12-17)26(2,3)4/h6,8-10,12-13,20,23,25,29-30H,5,7,11,14-16,28H2,1-4H3/t20-,23+,25+/m1/s1 YLUTXNNOPWYZFR-PBXXJUDPSA-N 50386529 CHEMBL2047893 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385528 160865612 CHEMBL2047893 ZINC84669530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216778 N[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O InChI=1S/C15H17F7N2O4S/c16-8-2-6(1-7-4-29(26,27)5-9(23)12(7)25)3-10(11(8)24)28-13(14(17,18)19)15(20,21)22/h2-3,7,9,12-13,25H,1,4-5,23-24H2/t7-,9+,12+/m1/s1 RPVMIXUYCQNVRD-FDOIEUKUSA-N 50386478 CHEMBL2048055 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388039 160865561 CHEMBL2048055 ZINC84652856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216779 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)nc3)[C@@H]2O)c1 InChI=1S/C22H31N3O3S/c1-22(2,3)18-6-4-5-15(10-18)11-24-19-14-29(27,28)13-17(21(19)26)9-16-7-8-20(23)25-12-16/h4-8,10,12,17,19,21,24,26H,9,11,13-14H2,1-3H3,(H2,23,25)/t17-,19+,21+/m1/s1 GBGOGYLTHBEOED-LMNJBCLMSA-N 50386530 CHEMBL2047894 Beta-secretase 1 Homo sapiens 1360 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385530 160865613 CHEMBL2047894 ZINC84669531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216780 COCCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C29H40F4N2O6S/c1-28(2,3)21-7-5-6-18(11-21)14-35-23-17-42(37,38)16-20(27(23)36)10-19-12-22(30)26(34)24(13-19)41-25(29(31,32)33)15-40-9-8-39-4/h5-7,11-13,20,23,25,27,35-36H,8-10,14-17,34H2,1-4H3/t20-,23+,25-,27+/m1/s1 UFTQHVSGRKPXMV-VVSUHNQASA-N 50386516 CHEMBL2048054 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44625323 160865599 CHEMBL2048054 ZINC84652855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216781 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]ncc4c3)[C@@H]2O)c1 InChI=1S/C24H31N3O3S/c1-24(2,3)20-6-4-5-17(11-20)12-25-22-15-31(29,30)14-19(23(22)28)10-16-7-8-21-18(9-16)13-26-27-21/h4-9,11,13,19,22-23,25,28H,10,12,14-15H2,1-3H3,(H,26,27)/t19-,22+,23+/m1/s1 BEVHHCFYKZXXNE-OIBXWCBGSA-N 50386531 CHEMBL2047895 Beta-secretase 1 Homo sapiens 1650 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385533 160865614 CHEMBL2047895 ZINC84669532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216782 CCc1c[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12 InChI=1S/C27H36N2O3S/c1-5-20-15-29-24-10-9-18(13-23(20)24)11-21-16-33(31,32)17-25(26(21)30)28-14-19-7-6-8-22(12-19)27(2,3)4/h6-10,12-13,15,21,25-26,28-30H,5,11,14,16-17H2,1-4H3/t21-,25+,26+/m1/s1 OJIHHERXQFICND-NYMACZPPSA-N 50386522 CHEMBL2047900 Beta-secretase 1 Homo sapiens 740 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387069 160865605 CHEMBL2047900 ZINC84653615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216783 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(NCC44CCC(F)(F)CC4)c(F)c3)[C@@H]2O)c1 InChI=1S/C30H39F3N2O3S/c1-28(2,3)22-6-4-5-19(12-22)15-34-25-17-39(37,38)16-21(27(25)36)11-20-13-23-26(24(31)14-20)35-18-29(23)7-9-30(32,33)10-8-29/h4-6,12-14,21,25,27,34-36H,7-11,15-18H2,1-3H3/t21-,25+,27+/m1/s1 YSVPVGYQIWTLEZ-UDZXTKBFSA-N 50386523 CHEMBL2047901 Beta-secretase 1 Homo sapiens 3530 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GU 4D85 57387070 160865606 CHEMBL2047901 ZINC84654025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216784 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(NCC44CCC4)c(F)c3)[C@@H]2O)c1 InChI=1S/C28H37FN2O3S/c1-27(2,3)21-7-4-6-18(11-21)14-30-24-16-35(33,34)15-20(26(24)32)10-19-12-22-25(23(29)13-19)31-17-28(22)8-5-9-28/h4,6-7,11-13,20,24,26,30-32H,5,8-10,14-17H2,1-3H3/t20-,24+,26+/m1/s1 ORQHYSJSJRKSEL-PSUQPPDWSA-N 50386520 CHEMBL2047902 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387317 160865603 CHEMBL2047902 ZINC84654026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216785 Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1 OCEZDSXYNMWVGV-AZOIQLNYSA-N 50386484 CHEMBL2048061 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384272 160865567 CHEMBL2048061 ZINC84653658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216786 CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12 InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1 OZOLBCYZUXLXMZ-WVBUVRCRSA-N 50386483 CHEMBL2048060 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624240 160865566 CHEMBL2048060 ZINC84653657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216787 CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H31F7N2O5S/c1-24(2,13-36)17-5-3-4-14(7-17)10-35-19-12-41(38,39)11-16(22(19)37)6-15-8-18(27)21(34)20(9-15)40-23(25(28,29)30)26(31,32)33/h3-5,7-9,16,19,22-23,35-37H,6,10-13,34H2,1-2H3/t16-,19+,22+/m1/s1 RUMOYGYSWPCFLL-WVBUVRCRSA-N 50386482 CHEMBL2048059 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384271 160865565 CHEMBL2048059 ZINC84653633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216788 CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H29F7N2O5S/c1-23(2,36)16-5-3-4-13(7-16)10-34-18-12-40(37,38)11-15(21(18)35)6-14-8-17(26)20(33)19(9-14)39-22(24(27,28)29)25(30,31)32/h3-5,7-9,15,18,21-22,34-36H,6,10-12,33H2,1-2H3/t15-,18+,21+/m1/s1 IWBWMEKXFWHGKV-YWMUFLPLSA-N 50386481 CHEMBL2048058 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384270 160865564 CHEMBL2048058 ZINC84653269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216789 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C25H35FN2O3S/c1-5-18-9-17(12-21(26)23(18)27)10-19-14-32(30,31)15-22(24(19)29)28-13-16-7-6-8-20(11-16)25(2,3)4/h6-9,11-12,19,22,24,28-29H,5,10,13-15,27H2,1-4H3/t19-,22+,24+/m1/s1 ORGFAXNNSAIXQN-UCFCWBNQSA-N 50386489 CHEMBL2047904 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387580 160865572 CHEMBL2047904 ZINC84653844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216790 CN(C)CC(=O)Nc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc1F InChI=1S/C27H38FN3O4S/c1-27(2,3)21-8-6-7-19(12-21)14-29-24-17-36(34,35)16-20(26(24)33)11-18-9-10-23(22(28)13-18)30-25(32)15-31(4)5/h6-10,12-13,20,24,26,29,33H,11,14-17H2,1-5H3,(H,30,32)/t20-,24+,26+/m1/s1 MPFKNFHORVXLRK-PSUQPPDWSA-N 50386488 CHEMBL2047903 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624304 160865571 CHEMBL2047903 ZINC84654027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216791 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216792 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3cc[nH]n3)[C@@H]2O)c1 InChI=1S/C26H33FN4O3S/c1-26(2,3)19-6-4-5-16(10-19)13-29-23-15-35(33,34)14-18(25(23)32)9-17-11-20(22-7-8-30-31-22)24(28)21(27)12-17/h4-8,10-12,18,23,25,29,32H,9,13-15,28H2,1-3H3,(H,30,31)/t18-,23+,25+/m1/s1 JVAXIHSFKUXWQI-DPQOWFAMSA-N 50386493 CHEMBL2047908 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25195985 160865576 CHEMBL2047908 ZINC59048656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216793 CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1 JMAIWRCWOGUIRQ-VOWSPCBNSA-N 50386486 CHEMBL2048063 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384274 160865569 CHEMBL2048063 ZINC84653660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216794 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)C3CC3)[C@@H]2O)c1 InChI=1S/C26H35FN2O3S/c1-26(2,3)20-6-4-5-16(10-20)13-29-23-15-33(31,32)14-19(25(23)30)9-17-11-21(18-7-8-18)24(28)22(27)12-17/h4-6,10-12,18-19,23,25,29-30H,7-9,13-15,28H2,1-3H3/t19-,23+,25+/m1/s1 DGWCWEHCOJXRCG-VPHKFGTKSA-N 50386492 CHEMBL2047907 Beta-secretase 1 Homo sapiens 94 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386049 160865575 CHEMBL2047907 ZINC84654698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216795 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(=O)CN(C)C InChI=1S/C29H42FN3O4S/c1-7-21-11-20(14-24(30)27(21)32-26(34)16-33(5)6)12-22-17-38(36,37)18-25(28(22)35)31-15-19-9-8-10-23(13-19)29(2,3)4/h8-11,13-14,22,25,28,31,35H,7,12,15-18H2,1-6H3,(H,32,34)/t22-,25+,28+/m1/s1 VCWNSMCBQGSOIZ-ATILKMQGSA-N 50386491 CHEMBL2047906 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624171 160865574 CHEMBL2047906 ZINC84654029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216796 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(C)=O InChI=1S/C27H37FN2O4S/c1-6-20-10-19(13-23(28)25(20)30-17(2)31)11-21-15-35(33,34)16-24(26(21)32)29-14-18-8-7-9-22(12-18)27(3,4)5/h7-10,12-13,21,24,26,29,32H,6,11,14-16H2,1-5H3,(H,30,31)/t21-,24+,26+/m1/s1 MJXQUEMDNFSOMU-DSBYRVASSA-N 50386490 CHEMBL2047905 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387581 160865573 CHEMBL2047905 ZINC84654028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216797 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(C[C@H](O)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-15(9-19)12-32-21-14-37(35,36)13-18(24(21)34)8-16-7-17(23(31)20(27)10-16)11-22(33)26(28,29)30/h4-7,9-10,18,21-22,24,32-34H,8,11-14,31H2,1-3H3/t18-,21+,22+,24+/m1/s1 GCVKLIOGBJALOK-VPJOFFEXSA-N 50386496 CHEMBL2047912 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BXQ 4D88 44625098 160865579 CHEMBL2047912 ZINC84653847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216798 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(CCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H34F4N2O3S/c1-25(2,3)20-6-4-5-16(11-20)13-32-22-15-36(34,35)14-19(24(22)33)10-17-9-18(7-8-26(28,29)30)23(31)21(27)12-17/h4-6,9,11-12,19,22,24,32-33H,7-8,10,13-15,31H2,1-3H3/t19-,22+,24+/m1/s1 ZQEYWHUMECPRLK-UCFCWBNQSA-N 50386495 CHEMBL2047911 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386302 160865578 CHEMBL2047911 ZINC84653846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216799 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3ccoc3)[C@@H]2O)c1 InChI=1S/C27H33FN2O4S/c1-27(2,3)21-6-4-5-17(10-21)13-30-24-16-35(32,33)15-20(26(24)31)9-18-11-22(19-7-8-34-14-19)25(29)23(28)12-18/h4-8,10-12,14,20,24,26,30-31H,9,13,15-16,29H2,1-3H3/t20-,24+,26+/m1/s1 OVECGFUVEQTVAK-PSUQPPDWSA-N 50386494 CHEMBL2047910 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387579 160865577 CHEMBL2047910 ZINC84653845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216800 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3ccco3)[C@@H]2O)c1 InChI=1S/C27H33FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-21(24-8-5-9-34-24)25(29)22(28)13-18/h4-9,11-13,19,23,26,30-31H,10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1 YBNSYBGLSOPBBM-BLFHIAQRSA-N 50386498 CHEMBL2047909 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387320 160865581 CHEMBL2047909 ZINC84654700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216801 CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1 InChI=1S/C24H31F7N4O4S/c1-22(2,3)12-35-9-14(8-34-35)7-33-17-11-40(37,38)10-15(20(17)36)4-13-5-16(25)19(32)18(6-13)39-21(23(26,27)28)24(29,30)31/h5-6,8-9,15,17,20-21,33,36H,4,7,10-12,32H2,1-3H3/t15-,17+,20+/m1/s1 AZZAPLDRNFVCMT-SYNHAJSKSA-N 50386485 CHEMBL2048062 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384273 160865568 CHEMBL2048062 ZINC84653659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216802 CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)ccc1N InChI=1S/C26H38N2O4S/c1-5-11-32-24-14-18(9-10-22(24)27)12-20-16-33(30,31)17-23(25(20)29)28-15-19-7-6-8-21(13-19)26(2,3)4/h6-10,13-14,20,23,25,28-29H,5,11-12,15-17,27H2,1-4H3/t20-,23+,25+/m1/s1 UREAOAWEVOXGBP-PBXXJUDPSA-N 50386517 CHEMBL2047915 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387318 160865600 CHEMBL2047915 ZINC84653851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216803 CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)c1 InChI=1S/C26H37NO4S/c1-5-12-31-23-11-7-8-19(15-23)13-21-17-32(29,30)18-24(25(21)28)27-16-20-9-6-10-22(14-20)26(2,3)4/h6-11,14-15,21,24-25,27-28H,5,12-13,16-18H2,1-4H3/t21-,24+,25+/m1/s1 STRMYUPQAIUGMK-ZODMCCGTSA-N 50386499 CHEMBL2047914 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386304 160865582 CHEMBL2047914 ZINC84670376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216804 CO[C@@H](Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C27H36F4N2O4S/c1-26(2,3)20-7-5-6-16(10-20)13-33-22-15-38(35,36)14-19(25(22)34)9-17-8-18(24(32)21(28)11-17)12-23(37-4)27(29,30)31/h5-8,10-11,19,22-23,25,33-34H,9,12-15,32H2,1-4H3/t19-,22+,23+,25+/m1/s1 ODSVQQSZOQPNMO-SXPAWZJZSA-N 50386497 CHEMBL2047913 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624107 160865580 CHEMBL2047913 ZINC84670375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216805 CCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C25H35FN2O4S/c1-5-32-22-12-17(11-20(26)23(22)27)9-18-14-33(30,31)15-21(24(18)29)28-13-16-7-6-8-19(10-16)25(2,3)4/h6-8,10-12,18,21,24,28-29H,5,9,13-15,27H2,1-4H3/t18-,21+,24+/m1/s1 QNARTEMYCRFHBN-ZHRMCQFGSA-N 50386502 CHEMBL2048039 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387582 160865585 CHEMBL2048039 ZINC84670197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216806 CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O4S/c1-5-9-33-23-13-18(12-21(27)24(23)28)10-19-15-34(31,32)16-22(25(19)30)29-14-17-7-6-8-20(11-17)26(2,3)4/h6-8,11-13,19,22,25,29-30H,5,9-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1 YVVYDXSFDQXZJS-WPWBMXPQSA-N 50386501 CHEMBL2048038 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25195988 160865584 CHEMBL2048038 ZINC59048665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216807 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H33F3N2O4S/c1-24(2,3)19-6-4-5-17(10-19)12-30-21-14-35(32,33)13-18(23(21)31)9-16-7-8-20(29)22(11-16)34-15-25(26,27)28/h4-8,10-11,18,21,23,30-31H,9,12-15,29H2,1-3H3/t18-,21+,23+/m1/s1 VOALVXSOIZPBFI-JZWVFAODSA-N 50386500 CHEMBL2048037 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387319 160865583 CHEMBL2048037 ZINC84669401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216808 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1 InChI=1S/C26H35FN2O5S/c1-26(2,3)19-6-4-5-16(8-19)11-29-22-15-35(31,32)14-18(25(22)30)7-17-9-21(27)24(28)23(10-17)34-20-12-33-13-20/h4-6,8-10,18,20,22,25,29-30H,7,11-15,28H2,1-3H3/t18-,22+,25+/m1/s1 SDEDNCZAWZKEDI-MOADCYBESA-N 50386504 CHEMBL2048041 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624238 160865587 CHEMBL2048041 ZINC84669482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216809 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1 InChI=1S/C27H37FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-22(28)25(29)24(13-18)34-21-8-5-9-21/h4,6-7,11-13,19,21,23,26,30-31H,5,8-10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1 SFTUXQRUOWDWQS-BLFHIAQRSA-N 50386503 CHEMBL2048040 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25196089 160865586 CHEMBL2048040 ZINC59048967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216810 CC(C)Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O4S/c1-16(2)33-23-12-18(11-21(27)24(23)28)9-19-14-34(31,32)15-22(25(19)30)29-13-17-7-6-8-20(10-17)26(3,4)5/h6-8,10-12,16,19,22,25,29-30H,9,13-15,28H2,1-5H3/t19-,22+,25+/m1/s1 MJSZIFUBLNLANV-WPWBMXPQSA-N 50386511 CHEMBL2048049 Beta-secretase 1 Homo sapiens 443 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387810 160865594 CHEMBL2048049 ZINC84668417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216811 C[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C26H34F4N2O4S/c1-15(26(28,29)30)36-22-11-17(10-20(27)23(22)31)8-18-13-37(34,35)14-21(24(18)33)32-12-16-6-5-7-19(9-16)25(2,3)4/h5-7,9-11,15,18,21,24,32-33H,8,12-14,31H2,1-4H3/t15-,18-,21+,24+/m1/s1 ULGBCGLZQYCGRH-SPCUFACSSA-N 50386512 CHEMBL2048050 Beta-secretase 1 Homo sapiens 105 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388037 160865595 CHEMBL2048050 ZINC84668746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216812 CCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C28H38F4N2O5S/c1-5-38-14-24(28(30,31)32)39-23-12-18(11-21(29)25(23)33)9-19-15-40(36,37)16-22(26(19)35)34-13-17-7-6-8-20(10-17)27(2,3)4/h6-8,10-12,19,22,24,26,34-35H,5,9,13-16,33H2,1-4H3/t19-,22+,24-,26+/m1/s1 UJZFSYZNJMWXJO-NJONLQHESA-N 50386513 CHEMBL2048051 Beta-secretase 1 Homo sapiens 126 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BXD 4D89,4D8C 44625397 160865596 CHEMBL2048051 ZINC84669160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216813 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H32F4N2O4S/c1-24(2,3)18-6-4-5-15(8-18)11-31-20-13-36(33,34)12-17(23(20)32)7-16-9-19(26)22(30)21(10-16)35-14-25(27,28)29/h4-6,8-10,17,20,23,31-32H,7,11-14,30H2,1-3H3/t17-,20+,23+/m1/s1 YRHFGCZZOFVMRB-MONBJTKQSA-N 50386508 CHEMBL2048045 Beta-secretase 1 Homo sapiens 116 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387807 160865591 CHEMBL2048045 ZINC84652521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216814 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-32-21-15-37(34,35)14-18(24(21)33)9-17-11-20(27)23(31)22(12-17)36-8-7-26(28,29)30/h4-6,10-12,18,21,24,32-33H,7-9,13-15,31H2,1-3H3/t18-,21+,24+/m1/s1 HCNAIANLPZIMKT-ZHRMCQFGSA-N 50386509 CHEMBL2048046 Beta-secretase 1 Homo sapiens 1030 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387808 160865592 CHEMBL2048046 ZINC84670575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216815 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1 XUPJXTGHHHIDNH-WVBUVRCRSA-N 50386487 CHEMBL2048047 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387809 160865570 CHEMBL2048047 ZINC68267545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216816 COCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O5S/c1-26(2,3)20-7-5-6-17(11-20)14-29-22-16-35(31,32)15-19(25(22)30)10-18-12-21(27)24(28)23(13-18)34-9-8-33-4/h5-7,11-13,19,22,25,29-30H,8-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1 OWRCJHJKEDPHJO-WPWBMXPQSA-N 50386510 CHEMBL2048048 Beta-secretase 1 Homo sapiens 382 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624237 160865593 CHEMBL2048048 ZINC84671044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216817 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C24H31F3N2O4S/c1-23(2,3)18-6-4-5-16(10-18)12-29-20-14-34(31,32)13-17(22(20)30)9-15-7-8-19(28)21(11-15)33-24(25,26)27/h4-8,10-11,17,20,22,29-30H,9,12-14,28H2,1-3H3/t17-,20+,22+/m1/s1 WXCDYKNOGRLTKM-AGHHOFFYSA-N 50386528 CHEMBL2047892 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386814 160865611 CHEMBL2047892 ZINC84669884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216818 CC(F)(F)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 InChI=1S/C21H24BrF3N2O3S/c1-21(24,25)15-4-2-3-12(6-15)9-27-18-11-31(29,30)10-14(20(18)28)5-13-7-16(22)19(26)17(23)8-13/h2-4,6-8,14,18,20,27-28H,5,9-11,26H2,1H3/t14-,18+,20+/m1/s1 QBRKIXCNLLQOPH-WNYOCNMUSA-N 50386527 CHEMBL2047891 Beta-secretase 1 Homo sapiens 1370 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GS 3VF3 57386813 160865610 CHEMBL2047891 ZINC84669505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216819 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(O)c(N)c(F)c3)[C@@H]2O)c1 InChI=1S/C23H31FN2O4S/c1-23(2,3)17-6-4-5-14(8-17)11-26-19-13-31(29,30)12-16(22(19)28)7-15-9-18(24)21(25)20(27)10-15/h4-6,8-10,16,19,22,26-28H,7,11-13,25H2,1-3H3/t16-,19+,22+/m1/s1 ULUXWXNJGWECOH-WVBUVRCRSA-N 50386505 CHEMBL2048042 Beta-secretase 1 Homo sapiens 1413 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387583 160865588 CHEMBL2048042 ZINC84669483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216820 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCF)c3)[C@@H]2O)c1 InChI=1S/C25H34F2N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-29-21-15-34(31,32)14-18(24(21)30)9-17-11-20(27)23(28)22(12-17)33-8-7-26/h4-6,10-12,18,21,24,29-30H,7-9,13-15,28H2,1-3H3/t18-,21+,24+/m1/s1 CZVMWVSTYZAQPV-ZHRMCQFGSA-N 50386506 CHEMBL2048043 Beta-secretase 1 Homo sapiens 225 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387806 160865589 CHEMBL2048043 ZINC84669484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216821 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H33F3N2O4S/c1-25(2,3)18-6-4-5-15(8-18)11-30-20-14-35(32,33)13-17(24(20)31)7-16-9-19(26)23(29)21(10-16)34-12-22(27)28/h4-6,8-10,17,20,22,24,30-31H,7,11-14,29H2,1-3H3/t17-,20+,24+/m1/s1 OKTQFOQHXKETNN-YQOVMPOYSA-N 50386507 CHEMBL2048044 Beta-secretase 1 Homo sapiens 72 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25196090 160865590 CHEMBL2048044 ZINC59048971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216822 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(Br)c3)[C@@H]2O)c1 InChI=1S/C23H31BrN2O3S/c1-23(2,3)18-6-4-5-16(10-18)12-26-21-14-30(28,29)13-17(22(21)27)9-15-7-8-20(25)19(24)11-15/h4-8,10-11,17,21-22,26-27H,9,12-14,25H2,1-3H3/t17-,21+,22+/m1/s1 BKXQIIZJPNDNCG-WTNAPCKOSA-N 50386518 CHEMBL2047890 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386812 160865601 CHEMBL2047890 ZINC84669504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216823 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 InChI=1S/C23H30BrFN2O3S/c1-23(2,3)17-6-4-5-14(8-17)11-27-20-13-31(29,30)12-16(22(20)28)7-15-9-18(24)21(26)19(25)10-15/h4-6,8-10,16,20,22,27-28H,7,11-13,26H2,1-3H3/t16-,20+,22+/m1/s1 ZFYVKSUBHAFIJY-BUVFEPMLSA-N 50386526 CHEMBL2047889 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386811 160865609 CHEMBL2047889 ZINC84669503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216824 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(F)c3)[C@@H]2O)c1 InChI=1S/C23H31FN2O3S/c1-23(2,3)18-6-4-5-16(10-18)12-26-21-14-30(28,29)13-17(22(21)27)9-15-7-8-20(25)19(24)11-15/h4-8,10-11,17,21-22,26-27H,9,12-14,25H2,1-3H3/t17-,21+,22+/m1/s1 MBOBLSSYUAFPMA-WTNAPCKOSA-N 50386525 CHEMBL2047888 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386563 160865608 CHEMBL2047888 ZINC84739728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216825 CCCN1CCC[C@@]11CCN([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)C(C)C)C1=O InChI=1S/C33H48N4O3/c1-5-17-36-18-10-15-33(36)16-19-37(32(33)40)25(4)31(39)35-29(21-26-11-7-6-8-12-26)30(38)23-34-22-27-13-9-14-28(20-27)24(2)3/h6-9,11-14,20,24-25,29-30,34,38H,5,10,15-19,21-23H2,1-4H3,(H,35,39)/t25-,29-,30+,33-/m0/s1 MOXAMLWWFJKUEH-XGZLTPBASA-N 50386524 CHEMBL2047887 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GO 3VEU 66575075 160865607 CHEMBL2047887 ZINC84671088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216826 CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12 InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1 OZOLBCYZUXLXMZ-WVBUVRCRSA-N 50386483 CHEMBL2048060 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624240 160865566 CHEMBL2048060 ZINC84653657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216827 Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1 OCEZDSXYNMWVGV-AZOIQLNYSA-N 50386484 CHEMBL2048061 Beta-secretase 1 Homo sapiens 950 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384272 160865567 CHEMBL2048061 ZINC84653658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219073 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc12 InChI=1S/C28H40N2O3/c1-19(31)30-23(15-20-10-8-7-9-11-20)25(32)18-29-24-17-28(5,6)33-26-13-12-21(14-22(24)26)16-27(2,3)4/h7-14,23-25,29,32H,15-18H2,1-6H3,(H,30,31)/t23-,24-,25+/m0/s1 JLDYIPLIAROYMO-CCDWMCETSA-N 50393889 CHEMBL2158252 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460380 163342913 CHEMBL2158252 ZINC95579585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219074 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc12 InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1 YYAXFDUSWODWGA-WPFOTENUSA-N 50393886 CHEMBL2158259 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458534 163342910 CHEMBL2158259 ZINC95575582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219075 CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NCC(=O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C25H36N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,26H,11-15H2,1-5H3,(H,27,30)/t21-,22-/m0/s1 WZKZELUAEMFHMD-VXKWHMMOSA-N 50393885 CHEMBL2158260 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458535 163342909 CHEMBL2158260 ZINC95576123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219076 CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22-,24+/m0/s1 PISWYTCLVHPEEE-WPFOTENUSA-N 50393887 CHEMBL2158257 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462074 163342911 CHEMBL2158257 ZINC95576770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219077 CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NCC(=O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C25H36N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,26H,11-15H2,1-5H3,(H,27,30)/t21-,22-/m0/s1 WZKZELUAEMFHMD-VXKWHMMOSA-N 50393885 CHEMBL2158260 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458535 163342909 CHEMBL2158260 ZINC95576123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219078 CC(C)Cn1cc2[C@@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22+,24+/m0/s1 PISWYTCLVHPEEE-WMTXJRDZSA-N 50393893 CHEMBL2158258 Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462075 163342917 CHEMBL2158258 ZINC95576187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219079 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nc(CC(C)(C)C)[nH]c12 InChI=1S/C26H40N4O2/c1-17(31)28-19(12-18-10-8-7-9-11-18)22(32)16-27-20-13-26(5,6)14-21-24(20)30-23(29-21)15-25(2,3)4/h7-11,19-20,22,27,32H,12-16H2,1-6H3,(H,28,31)(H,29,30)/t19-,20?,22+/m0/s1 TXOQWIUPZLATHK-PWKISDLSSA-N 50393890 CHEMBL2158255 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460381 163342914 CHEMBL2158255 ZINC95580675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219080 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nn(CC(C)(C)C)cc12 InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)15-27-22-13-26(5,6)14-23-20(22)16-30(29-23)17-25(2,3)4/h7-11,16,21-22,24,27,32H,12-15,17H2,1-6H3,(H,28,31)/t21-,22?,24+/m0/s1 RUVGZLLBYDXKFE-RRUPDEEPSA-N 50393888 CHEMBL2158256 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460382 163342912 CHEMBL2158256 ZINC95571987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219081 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2oc(CC(C)(C)C)nc12 InChI=1S/C26H39N3O3/c1-17(30)28-19(12-18-10-8-7-9-11-18)21(31)16-27-20-13-26(5,6)14-22-24(20)29-23(32-22)15-25(2,3)4/h7-11,19-21,27,31H,12-16H2,1-6H3,(H,28,30)/t19-,20?,21+/m0/s1 DYIGGBRCCOVEFU-SIGULFFNSA-N 50393891 CHEMBL2158254 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451365 163342915 CHEMBL2158254 ZINC95578394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219082 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc12 InChI=1S/C26H38N2O3S/c1-17(29)28-21(12-18-10-8-7-9-11-18)23(30)16-27-22-15-26(5,6)31-24-20(22)13-19(32-24)14-25(2,3)4/h7-11,13,21-23,27,30H,12,14-16H2,1-6H3,(H,28,29)/t21-,22?,23+/m0/s1 YLIBYDKWVPKMKX-OCESARCHSA-N 50393892 CHEMBL2158253 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449561 163342916 CHEMBL2158253 ZINC95574915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219083 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2oc(CC(C)(C)C)nc12 InChI=1S/C26H39N3O3/c1-17(30)28-19(12-18-10-8-7-9-11-18)21(31)16-27-20-13-26(5,6)14-22-24(20)29-23(32-22)15-25(2,3)4/h7-11,19-21,27,31H,12-16H2,1-6H3,(H,28,30)/t19-,20?,21+/m0/s1 DYIGGBRCCOVEFU-SIGULFFNSA-N 50393891 CHEMBL2158254 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451365 163342915 CHEMBL2158254 ZINC95578394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219084 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nc(CC(C)(C)C)[nH]c12 InChI=1S/C26H40N4O2/c1-17(31)28-19(12-18-10-8-7-9-11-18)22(32)16-27-20-13-26(5,6)14-21-24(20)30-23(29-21)15-25(2,3)4/h7-11,19-20,22,27,32H,12-16H2,1-6H3,(H,28,31)(H,29,30)/t19-,20?,22+/m0/s1 TXOQWIUPZLATHK-PWKISDLSSA-N 50393890 CHEMBL2158255 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460381 163342914 CHEMBL2158255 ZINC95580675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219085 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc12 InChI=1S/C28H40N2O3/c1-19(31)30-23(15-20-10-8-7-9-11-20)25(32)18-29-24-17-28(5,6)33-26-13-12-21(14-22(24)26)16-27(2,3)4/h7-14,23-25,29,32H,15-18H2,1-6H3,(H,30,31)/t23-,24-,25+/m0/s1 JLDYIPLIAROYMO-CCDWMCETSA-N 50393889 CHEMBL2158252 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460380 163342913 CHEMBL2158252 ZINC95579585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219086 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc12 InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1 YYAXFDUSWODWGA-WPFOTENUSA-N 50393886 CHEMBL2158259 Beta-secretase 1 Homo sapiens 440 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458534 163342910 CHEMBL2158259 ZINC95575582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219087 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc12 InChI=1S/C26H38N2O3S/c1-17(29)28-21(12-18-10-8-7-9-11-18)23(30)16-27-22-15-26(5,6)31-24-20(22)13-19(32-24)14-25(2,3)4/h7-11,13,21-23,27,30H,12,14-16H2,1-6H3,(H,28,29)/t21-,22?,23+/m0/s1 YLIBYDKWVPKMKX-OCESARCHSA-N 50393892 CHEMBL2158253 Beta-secretase 1 Homo sapiens 8.5 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449561 163342916 CHEMBL2158253 ZINC95574915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219088 CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22-,24+/m0/s1 PISWYTCLVHPEEE-WPFOTENUSA-N 50393887 CHEMBL2158257 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462074 163342911 CHEMBL2158257 ZINC95576770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219089 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nn(CC(C)(C)C)cc12 InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)15-27-22-13-26(5,6)14-23-20(22)16-30(29-23)17-25(2,3)4/h7-11,16,21-22,24,27,32H,12-15,17H2,1-6H3,(H,28,31)/t21-,22?,24+/m0/s1 RUVGZLLBYDXKFE-RRUPDEEPSA-N 50393888 CHEMBL2158256 Beta-secretase 1 Homo sapiens 65 ChEMBL 10.1016/j.bmcl.2012.08.097 10.7270/Q2MS3TVD 23010268 Sund, C; Belda, O; Borkakoti, N; Lindberg, J; Derbyshire, D; Vrang, L; Hamelink, E; Ahgren, C; Woestenenk, E; Wikstrom, K; Eneroth, A; Lindstrom, E; Kalayanov, G Medivir AB http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460382 163342912 CHEMBL2158256 ZINC95571987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220117 C[C@@H](O)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-20(37)28(39)36-25(15-21-7-5-8-23(13-21)30-33-11-12-41-30)27(38)19-34-26-17-32(9-6-10-32)40-29-24(26)14-22(18-35-29)16-31(2,3)4/h5,7-8,11-14,18,20,25-27,34,37-38H,6,9-10,15-17,19H2,1-4H3,(H,36,39)/t20-,25+,26+,27-/m1/s1 AYUUSOCQIYXYAL-BQRPEJFJSA-N 50397697 CHEMBL2181917 Beta-secretase 1 Homo sapiens 408 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457468 163346721 CHEMBL2181917 ZINC95573941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220118 COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H41N3O4/c1-6-21-8-10-22(11-9-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(12-7-13-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,8-11,14,18,25-27,32,35H,7,12-13,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/m0/s1 FUDKQBKYDLVSHY-GMQQYTKMSA-N 50397685 CHEMBL2181899 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453953 163346709 CHEMBL2181899 ZINC95571727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220119 COCC(=O)N[C@@H](Cc1ccc(cc1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)16-22-14-24-26(17-32(10-5-11-32)40-29(24)35-18-22)34-19-27(37)25(36-28(38)20-39-4)15-21-6-8-23(9-7-21)30-33-12-13-41-30/h6-9,12-14,18,25-27,34,37H,5,10-11,15-17,19-20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 IANAVLJQRMMYRG-GMQQYTKMSA-N 50397686 CHEMBL2181898 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461110 163346710 CHEMBL2181898 ZINC95576484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220120 COCC(=O)N[C@@H](Cc1cccc(c1)C#CC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H43N3O4/c1-6-9-22-10-7-11-23(14-22)16-26(35-29(37)21-38-5)28(36)20-33-27-18-32(12-8-13-32)39-30-25(27)15-24(19-34-30)17-31(2,3)4/h7,10-11,14-15,19,26-28,33,36H,8,12-13,16-18,20-21H2,1-5H3,(H,35,37)/t26-,27-,28+/m0/s1 ODTHBEGKDAPUFY-HZFUHODCSA-N 50397687 CHEMBL2181897 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450309 163346711 CHEMBL2181897 ZINC95577443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220121 COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H41N3O4/c1-6-21-9-7-10-22(13-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(11-8-12-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,7,9-10,13-14,18,25-27,32,35H,8,11-12,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/m0/s1 NVMABPBDYKXNKD-GMQQYTKMSA-N 50397688 CHEMBL2181896 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457467 163346712 CHEMBL2181896 ZINC95579323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220122 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-21-20-42-31(36-21)24-9-6-8-22(12-24)14-26(37-29(39)19-40-5)28(38)18-34-27-16-33(10-7-11-33)41-30-25(27)13-23(17-35-30)15-32(2,3)4/h6,8-9,12-13,17,20,26-28,34,38H,7,10-11,14-16,18-19H2,1-5H3,(H,37,39)/t26-,27-,28+/m0/s1 IBQBCHBBSWVJOQ-HZFUHODCSA-N 50397689 CHEMBL2181895 Beta-secretase 1 Homo sapiens 5.7 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457466 163346713 CHEMBL2181895 ZINC95572759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220123 COCC(=O)N[C@@H](Cc1cccc(c1)-c1cscn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)14-22-12-24-26(15-32(9-6-10-32)40-30(24)34-16-22)33-17-28(37)25(36-29(38)18-39-4)13-21-7-5-8-23(11-21)27-19-41-20-35-27/h5,7-8,11-12,16,19-20,25-26,28,33,37H,6,9-10,13-15,17-18H2,1-4H3,(H,36,38)/t25-,26-,28+/m0/s1 PRYJXFKQLNPQBU-UNCTUWKVSA-N 50397690 CHEMBL2181894 Beta-secretase 1 Homo sapiens 6.9 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270717 163346714 CHEMBL2181894 ZINC95577470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220124 COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-21-9-7-10-22(28(21)32)14-24(35-27(37)19-38-5)26(36)18-33-25-16-31(11-8-12-31)39-29-23(25)13-20(17-34-29)15-30(2,3)4/h1,7,9-10,13,17,24-26,33,36H,8,11-12,14-16,18-19H2,2-5H3,(H,35,37)/t24-,25-,26+/m0/s1 DGWCRGXULLAKNL-KKUQBAQOSA-N 50397710 CHEMBL2181904 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450310 163346734 CHEMBL2181904 ZINC95578789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220125 COCC(=O)N[C@@H](Cc1cc(ccc1F)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-20-12-23-26(16-32(8-5-9-32)41-29(23)36-17-20)35-18-27(38)25(37-28(39)19-40-4)14-22-13-21(6-7-24(22)33)30-34-10-11-42-30/h6-7,10-13,17,25-27,35,38H,5,8-9,14-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1 GJNXRLZLOPXPDU-GMQQYTKMSA-N 50397711 CHEMBL2181903 Beta-secretase 1 Homo sapiens 9.5 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462850 163346735 CHEMBL2181903 ZINC95575009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220126 COCC(=O)N[C@@H](Cc1cc(F)cc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-21-12-24-26(16-32(6-5-7-32)41-29(24)36-17-21)35-18-27(38)25(37-28(39)19-40-4)13-20-10-22(14-23(33)11-20)30-34-8-9-42-30/h8-12,14,17,25-27,35,38H,5-7,13,15-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1 JBBUENLSUWMDMI-GMQQYTKMSA-N 50397712 CHEMBL2181902 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25142134 163346736 CHEMBL2181902 ZINC95579766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220127 COCC(=O)N[C@@H](Cc1ccc(F)c(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-21-13-23-26(16-32(8-5-9-32)41-29(23)36-17-21)35-18-27(38)25(37-28(39)19-40-4)14-20-6-7-24(33)22(12-20)30-34-10-11-42-30/h6-7,10-13,17,25-27,35,38H,5,8-9,14-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1 XSFWBOOLWAKDFI-GMQQYTKMSA-N 50397713 CHEMBL2181901 Beta-secretase 1 Homo sapiens 6.1 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270599 163346737 CHEMBL2181901 ZINC95578730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220128 COCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H41FN4O4S/c1-31(2,3)15-20-13-23-25(16-32(9-6-10-32)41-29(23)36-17-20)35-18-26(38)24(37-27(39)19-40-4)14-21-7-5-8-22(28(21)33)30-34-11-12-42-30/h5,7-8,11-13,17,24-26,35,38H,6,9-10,14-16,18-19H2,1-4H3,(H,37,39)/t24-,25-,26+/m0/s1 IVHJMOJHRRFXHT-KKUQBAQOSA-N 50397714 CHEMBL2181900 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453954 163346738 CHEMBL2181900 ZINC95572682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220129 CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 OMMVFRZSBCRMQD-LJYZBVLISA-N 50397678 CHEMBL2181880 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KN 4DH6 56940718 163346702 CHEMBL2181880 ZINC95572350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220130 CC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40N4O3S/c1-20(36)35-25(15-21-7-5-8-23(13-21)29-32-11-12-39-29)27(37)19-33-26-17-31(9-6-10-31)38-28-24(26)14-22(18-34-28)16-30(2,3)4/h5,7-8,11-14,18,25-27,33,37H,6,9-10,15-17,19H2,1-4H3,(H,35,36)/t25-,26-,27+/m0/s1 CATNTJQWQKGLJS-GMQQYTKMSA-N 50397706 CHEMBL2181908 Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459343 163346730 CHEMBL2181908 ZINC95577022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220131 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccccn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C34H44N4O4/c1-33(2,3)18-24-16-26-29(19-34(12-8-13-34)42-32(26)37-20-24)36-21-30(39)28(38-31(40)22-41-4)17-23-9-7-10-25(15-23)27-11-5-6-14-35-27/h5-7,9-11,14-16,20,28-30,36,39H,8,12-13,17-19,21-22H2,1-4H3,(H,38,40)/t28-,29-,30+/m0/s1 KSQJUIXMCGQLTA-OIFRRMEBSA-N 50397695 CHEMBL2181889 Beta-secretase 1 Homo sapiens 9.3 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270914 163346719 CHEMBL2181889 ZINC95575177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220132 CCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O3S/c1-5-28(38)36-25(16-21-8-6-9-23(14-21)30-33-12-13-40-30)27(37)20-34-26-18-32(10-7-11-32)39-29-24(26)15-22(19-35-29)17-31(2,3)4/h6,8-9,12-15,19,25-27,34,37H,5,7,10-11,16-18,20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 MRNBFGIRQWINAX-GMQQYTKMSA-N 50397705 CHEMBL2181909 Beta-secretase 1 Homo sapiens 414 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452125 163346729 CHEMBL2181909 ZINC95577681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220133 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccncc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C34H44N4O4/c1-33(2,3)18-24-16-27-29(19-34(11-6-12-34)42-32(27)37-20-24)36-21-30(39)28(38-31(40)22-41-4)17-23-7-5-8-26(15-23)25-9-13-35-14-10-25/h5,7-10,13-16,20,28-30,36,39H,6,11-12,17-19,21-22H2,1-4H3,(H,38,40)/t28-,29-,30+/m0/s1 JSYZFOJZNAGVKR-OIFRRMEBSA-N 50397696 CHEMBL2181888 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270792 163346720 CHEMBL2181888 ZINC95578779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220134 COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-20-10-21(12-23(32)11-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(8-7-9-31)39-29-24(26)13-22(17-34-29)15-30(2,3)4/h1,10-13,17,25-27,33,36H,7-9,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1 QSNMNIQIQWYQGN-GMQQYTKMSA-N 50397708 CHEMBL2181906 Beta-secretase 1 Homo sapiens 7.3 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25143473 163346732 CHEMBL2181906 ZINC95577568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220135 COCC(=O)N[C@@H](Cc1cc(ccc1F)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H40FN3O4/c1-6-20-8-9-24(32)22(12-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(10-7-11-31)39-29-23(26)13-21(17-34-29)15-30(2,3)4/h1,8-9,12-13,17,25-27,33,36H,7,10-11,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1 GSNQLUPJBZVXTJ-GMQQYTKMSA-N 50397707 CHEMBL2181907 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462851 163346731 CHEMBL2181907 ZINC95575692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220136 COCC(=O)N[C@@H](Cc1cccc(c1)-c1cncs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)14-22-12-24-26(15-32(9-6-10-32)40-30(24)35-16-22)34-17-27(37)25(36-29(38)19-39-4)13-21-7-5-8-23(11-21)28-18-33-20-41-28/h5,7-8,11-12,16,18,20,25-27,34,37H,6,9-10,13-15,17,19H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 QQEJGTCLITVFBA-GMQQYTKMSA-N 50397691 CHEMBL2181893 Beta-secretase 1 Homo sapiens 5.2 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461109 163346715 CHEMBL2181893 ZINC95577545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220137 CO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1 IUSARDYWEPUTPN-OZBXUNDUSA-N 50397703 CHEMBL2181911 Beta-secretase 1 Homo sapiens 9.9 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0K9 4DI2 60202321 163346727 CHEMBL2181911 ZINC43206371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220138 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)16-22-14-24-26(17-32(9-6-10-32)40-29(24)35-18-22)34-19-27(37)25(36-28(38)20-39-4)15-21-7-5-8-23(13-21)30-33-11-12-41-30/h5,7-8,11-14,18,25-27,34,37H,6,9-10,15-17,19-20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 JVNKLECJDZSZDR-GMQQYTKMSA-N 50397692 CHEMBL2181892 Beta-secretase 1 Homo sapiens 4.1 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270136 163346716 CHEMBL2181892 ZINC95577124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220139 CO[C@@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26-,27-,28+/m0/s1 IUSARDYWEPUTPN-WNQFUHBBSA-N 50397702 CHEMBL2181912 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270281 163346726 CHEMBL2181912 ZINC95574641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220140 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H45N5O4/c1-32(2,3)17-23-15-25-27(18-33(10-7-11-33)42-31(25)36-19-23)35-20-28(39)26(37-29(40)21-41-5)16-22-8-6-9-24(14-22)30-34-12-13-38(30)4/h6,8-9,12-15,19,26-28,35,39H,7,10-11,16-18,20-21H2,1-5H3,(H,37,40)/t26-,27-,28+/m0/s1 OWSUWCSVFOZIGR-HZFUHODCSA-N 50397693 CHEMBL2181891 Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459342 163346717 CHEMBL2181891 ZINC95574612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220141 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ncco1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O5/c1-31(2,3)16-22-14-24-26(17-32(9-6-10-32)41-30(24)35-18-22)34-19-27(37)25(36-28(38)20-39-4)15-21-7-5-8-23(13-21)29-33-11-12-40-29/h5,7-8,11-14,18,25-27,34,37H,6,9-10,15-17,19-20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 ZSKDOJWDZUSTHX-GMQQYTKMSA-N 50397694 CHEMBL2181890 Beta-secretase 1 Homo sapiens 9.6 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270974 163346718 CHEMBL2181890 ZINC95571610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220142 CCOCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-5-40-21-29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,26-28,35,38H,5,7,10-11,16-18,20-21H2,1-4H3,(H,37,39)/t26-,27-,28+/m0/s1 XLZMPDBDSOQRLV-HZFUHODCSA-N 50397704 CHEMBL2181910 Beta-secretase 1 Homo sapiens 8.1 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270937 163346728 CHEMBL2181910 ZINC95580415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220144 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@H]3CCCO3)c2c1 InChI=1S/C34H44N4O4S/c1-33(2,3)18-23-16-25-27(19-34(10-6-11-34)42-31(25)37-20-23)36-21-28(39)26(38-30(40)29-9-5-13-41-29)17-22-7-4-8-24(15-22)32-35-12-14-43-32/h4,7-8,12,14-16,20,26-29,36,39H,5-6,9-11,13,17-19,21H2,1-3H3,(H,38,40)/t26-,27-,28+,29+/m0/s1 DZIXUQJNRCUJQW-QUAHOIDUSA-N 50397699 CHEMBL2181915 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270633 163346723 CHEMBL2181915 ZINC95578118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220152 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@@H]3CCCO3)c2c1 InChI=1S/C34H44N4O4S/c1-33(2,3)18-23-16-25-27(19-34(10-6-11-34)42-31(25)37-20-23)36-21-28(39)26(38-30(40)29-9-5-13-41-29)17-22-7-4-8-24(15-22)32-35-12-14-43-32/h4,7-8,12,14-16,20,26-29,36,39H,5-6,9-11,13,17-19,21H2,1-3H3,(H,38,40)/t26-,27-,28+,29-/m0/s1 DZIXUQJNRCUJQW-FKWFRFQNSA-N 50397698 CHEMBL2181916 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67269889 163346722 CHEMBL2181916 ZINC95579149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220153 CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C34H46N4O4S/c1-6-41-22(2)30(40)38-27(17-23-9-7-10-25(15-23)32-35-13-14-43-32)29(39)21-36-28-19-34(11-8-12-34)42-31-26(28)16-24(20-37-31)18-33(3,4)5/h7,9-10,13-16,20,22,27-29,36,39H,6,8,11-12,17-19,21H2,1-5H3,(H,38,40)/t22-,27+,28+,29-/m1/s1 BTSCNDCMLRNJTB-KZNIJNHCSA-N 50397701 CHEMBL2181913 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462852 163346725 CHEMBL2181913 ZINC95573999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220154 COC(OC)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O5S/c1-32(2,3)17-22-15-24-26(18-33(10-7-11-33)42-29(24)36-19-22)35-20-27(38)25(37-28(39)31(40-4)41-5)16-21-8-6-9-23(14-21)30-34-12-13-43-30/h6,8-9,12-15,19,25-27,31,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t25-,26-,27+/m0/s1 WFBCFVCVDDNMLZ-GMQQYTKMSA-N 50397700 CHEMBL2181914 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67269595 163346724 CHEMBL2181914 ZINC95577433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220155 O=C(OCc1ccc(cc1)C#N)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1 QVGGPTMZUCXDDT-YLJYHZDGSA-N 50397735 CHEMBL2181980 Beta-secretase 1 Homo sapiens 12200 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09B 3UDN 56940707 163346759 CHEMBL2181980 ZINC95573978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220156 O=C(OCc1ccccc1)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C19H18N2O3/c22-17(24-11-13-6-2-1-3-7-13)16-10-19(12-20-16)14-8-4-5-9-15(14)21-18(19)23/h1-9,16,20H,10-12H2,(H,21,23)/t16-,19-/m1/s1 WDDNNMQSTPFSMZ-VQIMIIECSA-N 50397736 CHEMBL2181979 Beta-secretase 1 Homo sapiens 85700 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09A 3UDM 56940706 163346760 CHEMBL2181979 ZINC95579894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220157 Brc1cc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc32)ccc1C#N InChI=1S/C20H16BrN3O3/c21-15-7-12(5-6-13(15)9-22)10-27-18(25)17-8-20(11-23-17)14-3-1-2-4-16(14)24-19(20)26/h1-7,17,23H,8,10-11H2,(H,24,26)/t17-,20-/m1/s1 DJYALAFSFGHFLN-YLJYHZDGSA-N 50397733 CHEMBL2181982 Beta-secretase 1 Homo sapiens 6260 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09G 3UDY 56940711 163346757 CHEMBL2181982 ZINC95579138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220158 Brc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc32)cc1 InChI=1S/C19H17BrN2O3/c20-13-7-5-12(6-8-13)10-25-17(23)16-9-19(11-21-16)14-3-1-2-4-15(14)22-18(19)24/h1-8,16,21H,9-11H2,(H,22,24)/t16-,19-/m1/s1 OKOKOIXRZLVURN-VQIMIIECSA-N 50397734 CHEMBL2181981 Beta-secretase 1 Homo sapiens 29500 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450319 163346758 CHEMBL2181981 ZINC95574667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220159 O=C(OCc1ccccc1)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C19H18N2O3/c22-17(24-11-13-6-2-1-3-7-13)16-10-19(12-20-16)14-8-4-5-9-15(14)21-18(19)23/h1-9,16,20H,10-12H2,(H,21,23)/t16-,19-/m1/s1 WDDNNMQSTPFSMZ-VQIMIIECSA-N 50397736 CHEMBL2181979 Beta-secretase 1 Homo sapiens 33000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09A 3UDM 56940706 163346760 CHEMBL2181979 ZINC95579894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220160 O=C(OCc1ccc(cc1)C#N)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1 QVGGPTMZUCXDDT-YLJYHZDGSA-N 50397735 CHEMBL2181980 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09B 3UDN 56940707 163346759 CHEMBL2181980 ZINC95573978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220161 Brc1cc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc32)ccc1C#N InChI=1S/C20H16BrN3O3/c21-15-7-12(5-6-13(15)9-22)10-27-18(25)17-8-20(11-23-17)14-3-1-2-4-16(14)24-19(20)26/h1-7,17,23H,8,10-11H2,(H,24,26)/t17-,20-/m1/s1 DJYALAFSFGHFLN-YLJYHZDGSA-N 50397733 CHEMBL2181982 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09G 3UDY 56940711 163346757 CHEMBL2181982 ZINC95579138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220162 Brc1ccc2c(c1)C(CCS2(=O)=O)OC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C21H19BrN2O5S/c22-12-5-6-18-13(9-12)17(7-8-30(18,27)28)29-19(25)16-10-21(11-23-16)14-3-1-2-4-15(14)24-20(21)26/h1-6,9,16-17,23H,7-8,10-11H2,(H,24,26)/t16-,17?,21-/m1/s1 AENVIUXFIDGFED-RZSJKOKISA-N 50397731 CHEMBL2181984 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461117 163346755 CHEMBL2181984 ZINC95577446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220163 Brc1ccc2SCCC(OC(=O)[C@H]3C[C@]4(CN3)C(=O)Nc3ccccc43)c2c1 InChI=1S/C21H19BrN2O3S/c22-12-5-6-18-13(9-12)17(7-8-28-18)27-19(25)16-10-21(11-23-16)14-3-1-2-4-15(14)24-20(21)26/h1-6,9,16-17,23H,7-8,10-11H2,(H,24,26)/t16-,17?,21-/m1/s1 OPUJSFZMYKHRTH-RZSJKOKISA-N 50397732 CHEMBL2181983 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455697 163346756 CHEMBL2181983 ZINC95579712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220164 Brc1ccc2SCCC(OC(=O)[C@H]3C[C@]4(CN3)C(=O)Nc3ccccc43)c2c1 InChI=1S/C21H19BrN2O3S/c22-12-5-6-18-13(9-12)17(7-8-28-18)27-19(25)16-10-21(11-23-16)14-3-1-2-4-15(14)24-20(21)26/h1-6,9,16-17,23H,7-8,10-11H2,(H,24,26)/t16-,17?,21-/m1/s1 OPUJSFZMYKHRTH-RZSJKOKISA-N 50397732 CHEMBL2181983 Beta-secretase 1 Homo sapiens 22600 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455697 163346756 CHEMBL2181983 ZINC95579712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220165 Brc1ccc2c(c1)C(CCS2(=O)=O)OC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C21H19BrN2O5S/c22-12-5-6-18-13(9-12)17(7-8-30(18,27)28)29-19(25)16-10-21(11-23-16)14-3-1-2-4-15(14)24-20(21)26/h1-6,9,16-17,23H,7-8,10-11H2,(H,24,26)/t16-,17?,21-/m1/s1 AENVIUXFIDGFED-RZSJKOKISA-N 50397731 CHEMBL2181984 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71461117 163346755 CHEMBL2181984 ZINC95577446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220166 O=C(OC1(CCCCC1)C#N)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C19H21N3O3/c20-11-18(8-4-1-5-9-18)25-16(23)15-10-19(12-21-15)13-6-2-3-7-14(13)22-17(19)24/h2-3,6-7,15,21H,1,4-5,8-10,12H2,(H,22,24)/t15-,19-/m1/s1 VRCMTLQTPNLTIN-DNVCBOLYSA-N 50397730 CHEMBL2181985 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09F 3UDR 56940710 163346754 CHEMBL2181985 ZINC95575049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220167 O=C(OC1(CCCCC1)C#N)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C19H21N3O3/c20-11-18(8-4-1-5-9-18)25-16(23)15-10-19(12-21-15)13-6-2-3-7-14(13)22-17(19)24/h2-3,6-7,15,21H,1,4-5,8-10,12H2,(H,22,24)/t15-,19-/m1/s1 VRCMTLQTPNLTIN-DNVCBOLYSA-N 50397730 CHEMBL2181985 Beta-secretase 1 Homo sapiens 25400 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 09F 3UDR 56940710 163346754 CHEMBL2181985 ZINC95575049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220168 COC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1 WBRZAMFFUKWSQR-ZWNOBZJWSA-N 50397739 CHEMBL2181997 Beta-secretase 1 Homo sapiens 242000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 092 3UDJ 56940704 163346763 CHEMBL2181997 ZINC95580315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220169 O=C(OC1CCOCC1)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C17H20N2O4/c20-15(23-11-5-7-22-8-6-11)14-9-17(10-18-14)12-3-1-2-4-13(12)19-16(17)21/h1-4,11,14,18H,5-10H2,(H,19,21)/t14-,17-/m1/s1 HIOAPSYSJQPIRC-RHSMWYFYSA-N 50397738 CHEMBL2181998 Beta-secretase 1 Homo sapiens 32000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 095 3UDK 56940705 163346762 CHEMBL2181998 ZINC95577682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220170 O=C(OC1CCOCC1)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C17H20N2O4/c20-15(23-11-5-7-22-8-6-11)14-9-17(10-18-14)12-3-1-2-4-13(12)19-16(17)21/h1-4,11,14,18H,5-10H2,(H,19,21)/t14-,17-/m1/s1 HIOAPSYSJQPIRC-RHSMWYFYSA-N 50397738 CHEMBL2181998 Beta-secretase 1 Homo sapiens 114000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 095 3UDK 56940705 163346762 CHEMBL2181998 ZINC95577682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220171 O=C1Nc2ccccc2[C@]11CCNC1 InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1 FQSHLSLQUHZOMV-LLVKDONJSA-N 50397740 CHEMBL2181988 Beta-secretase 1 Homo sapiens 1100000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 091 3UDH 56940703 163346764 CHEMBL2181988 ZINC95577096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220172 COC(=O)N1CCC(CC1)OC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C19H23N3O5/c1-26-18(25)22-8-6-12(7-9-22)27-16(23)15-10-19(11-20-15)13-4-2-3-5-14(13)21-17(19)24/h2-5,12,15,20H,6-11H2,1H3,(H,21,24)/t15-,19-/m1/s1 JEZDEWSDZRFQQT-DNVCBOLYSA-N 50397737 CHEMBL2181978 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450318 163346761 CHEMBL2181978 ZINC95578209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220173 COC(=O)N1CCC(CC1)OC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 InChI=1S/C19H23N3O5/c1-26-18(25)22-8-6-12(7-9-22)27-16(23)15-10-19(11-20-15)13-4-2-3-5-14(13)21-17(19)24/h2-5,12,15,20H,6-11H2,1H3,(H,21,24)/t15-,19-/m1/s1 JEZDEWSDZRFQQT-DNVCBOLYSA-N 50397737 CHEMBL2181978 Beta-secretase 1 Homo sapiens 83700 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450318 163346761 CHEMBL2181978 ZINC95578209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220174 O=C1Nc2ccccc2[C@]11CCNC1 InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1 FQSHLSLQUHZOMV-LLVKDONJSA-N 50397740 CHEMBL2181988 Beta-secretase 1 Homo sapiens 1400000 ChEMBL 10.1021/jm201715d 10.7270/Q21R6RND 22468999 Efremov, IV; Vajdos, FF; Borzilleri, KA; Capetta, S; Chen, H; Dorff, PH; Dutra, JK; Goldstein, SW; Mansour, M; McColl, A; Noell, S; Oborski, CE; O'Connell, TN; O'Sullivan, TJ; Pandit, J; Wang, H; Wei, B; Withka, JM Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 091 3UDH 56940703 163346764 CHEMBL2181988 ZINC95577096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220114 CCOCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H44N4O4S/c1-5-40-21-29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,26-28,35,38H,5,7,10-11,16-18,20-21H2,1-4H3,(H,37,39)/t26-,27-,28+/m0/s1 XLZMPDBDSOQRLV-HZFUHODCSA-N 50397704 CHEMBL2181910 Beta-secretase 1 Homo sapiens 5.7 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270937 163346728 CHEMBL2181910 ZINC95580415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220115 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C33H45N5O4/c1-32(2,3)17-23-15-25-27(18-33(10-7-11-33)42-31(25)36-19-23)35-20-28(39)26(37-29(40)21-41-5)16-22-8-6-9-24(14-22)30-34-12-13-38(30)4/h6,8-9,12-15,19,26-28,35,39H,7,10-11,16-18,20-21H2,1-5H3,(H,37,40)/t26-,27-,28+/m0/s1 OWSUWCSVFOZIGR-HZFUHODCSA-N 50397693 CHEMBL2181891 Beta-secretase 1 Homo sapiens 5.5 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459342 163346717 CHEMBL2181891 ZINC95574612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220116 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C32H42N4O4S/c1-31(2,3)16-22-14-24-26(17-32(9-6-10-32)40-29(24)35-18-22)34-19-27(37)25(36-28(38)20-39-4)15-21-7-5-8-23(13-21)30-33-11-12-41-30/h5,7-8,11-14,18,25-27,34,37H,6,9-10,15-17,19-20H2,1-4H3,(H,36,38)/t25-,26-,27+/m0/s1 JVNKLECJDZSZDR-GMQQYTKMSA-N 50397692 CHEMBL2181892 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/jm300118s 10.7270/Q298885R 22468684 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67270136 163346716 CHEMBL2181892 ZINC95577124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222401 COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26) NBTCNBCWVKBTIT-UHFFFAOYSA-N 50303750 2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565996 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11545958 104158111 CHEMBL565996 ZINC34661182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222402 CCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C25H26N4O3/c1-4-13-32-22-15-20(10-11-21(22)31-3)25(23(30)29(2)24(26)28-25)19-9-5-7-17(14-19)18-8-6-12-27-16-18/h5-12,14-16H,4,13H2,1-3H3,(H2,26,28) YYSJAHZDJKNFJF-UHFFFAOYSA-N 50303722 2-amino-4-(4-methoxy-3-propoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566407 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11654876 104158083 CHEMBL566407 ZINC45245223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222403 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 FWLPFLWMHMGKPS-DEOSSOPVSA-N 50310150 (S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL598290 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231555 104144511 CHEMBL598290 ZINC45355323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222404 COc1ccc(cc1C(F)(F)F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H19F3N4O2/c1-30-20(31)22(29-21(30)27,17-8-9-19(32-2)18(12-17)23(24,25)26)16-7-3-5-14(11-16)15-6-4-10-28-13-15/h3-13H,1-2H3,(H2,27,29) WKDSDPYPMAYPSN-UHFFFAOYSA-N 50303738 2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL585289 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11532248 104158099 CHEMBL585289 ZINC45320983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222405 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26) RKYFABJLGJZOBA-UHFFFAOYSA-N 50314604 (+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092787 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search Z81 3LHG 11990754 104148965 CHEMBL1092787 ZINC49070017 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222406 CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 InChI=1S/C16H21N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H2,17,18) FEZQZQTWDYTJPE-UHFFFAOYSA-N 50305467 2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL599965 Beta-secretase 1 Homo sapiens 991 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050931 104159828 CHEMBL599965 ZINC34948788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222407 CN1C(N)=NC(C1=O)(c1ccc2OCCc2c1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H20N4O2/c1-27-21(28)23(26-22(27)24,19-7-8-20-16(13-19)9-11-29-20)18-6-2-4-15(12-18)17-5-3-10-25-14-17/h2-8,10,12-14H,9,11H2,1H3,(H2,24,26) VACMQJOAIDVTHB-UHFFFAOYSA-N 50303758 2-amino-4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566414 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11668120 104158119 CHEMBL566414 ZINC38215320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222408 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27) IRDBIIRYCSZMEB-UHFFFAOYSA-N 50303716 2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL567688 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11517020 104158077 CHEMBL567688 ZINC43103523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222409 COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25) PVTVKIDYHUXCHW-UHFFFAOYSA-N 50314607 2-amino-4-(3'-methoxybiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092124 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951489 104148968 CHEMBL1092124 ZINC34806437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222410 COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30) SPQJQLMNHCRQEE-UHFFFAOYSA-N 50303744 2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566638 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11633904 104158105 CHEMBL566638 ZINC35972124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222413 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26) AYXHXAPMJNZSFH-UHFFFAOYSA-N 50314600 2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1091463 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951484 104148961 CHEMBL1091463 ZINC34806420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209100 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 RQNDBCCGDQWADT-UHFFFAOYSA-N 50231951 2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL231160::memoquin Beta-secretase 1 Homo sapiens 108 ChEMBL 10.1021/jm7009364 10.7270/Q25B039W 18181565 Cavalli, A; Bolognesi, ML; Minarini, A; Rosini, M; Tumiatti, V; Recanatini, M; Melchiorre, C University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91615478 104055375 CHEMBL231160 ZINC34803904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209113 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)ccc2oc1=O InChI=1S/C36H32Cl2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-22-29-21-30(14-16-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-15-32(37)33(38)20-25/h3-17,20-22H,2,18-19,23-24H2,1H3,(H,39,41)/b17-11+ KFRZFMDOBBBWCR-GZTJUZNOSA-N 50371471 CHEMBL407904 Beta-secretase 1 Homo sapiens 133 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44456474 160850572 CHEMBL407904 ZINC29131584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209114 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)CCc3ccc(F)c(F)c3)ccc2oc1=O InChI=1S/C36H34F2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-22-29-21-30(14-16-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-15-32(37)33(38)20-25/h3-10,12-16,20-22H,2,11,17-19,23-24H2,1H3,(H,39,41) VXLNOYAINXJRCV-UHFFFAOYSA-N 50371476 CHEMBL248922 Beta-secretase 1 Homo sapiens 116 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455901 160850577 CHEMBL248922 ZINC29130309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209115 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)Cc3cc(F)cc(F)c3)cc2oc1=O InChI=1S/C35H32F2N2O4/c1-2-39(22-24-6-4-3-5-7-24)23-25-8-10-27(11-9-25)32-19-28-12-13-31(21-33(28)43-35(32)41)42-15-14-38-34(40)18-26-16-29(36)20-30(37)17-26/h3-13,16-17,19-21H,2,14-15,18,22-23H2,1H3,(H,38,40) GRPPZHNSLSWJDA-UHFFFAOYSA-N 50371475 CHEMBL26125 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44456475 160850576 CHEMBL26125 ZINC29131587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209116 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)\C=C\c3cc(F)cc(F)c3)cc2oc1=O InChI=1S/C36H32F2N2O4/c1-2-40(23-25-6-4-3-5-7-25)24-26-8-11-28(12-9-26)33-20-29-13-14-32(22-34(29)44-36(33)42)43-17-16-39-35(41)15-10-27-18-30(37)21-31(38)19-27/h3-15,18-22H,2,16-17,23-24H2,1H3,(H,39,41)/b15-10+ OCCKNKZEIGZTKX-XNTDXEJSSA-N 50371472 CHEMBL271709 Beta-secretase 1 Homo sapiens 121 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44456429 160850573 CHEMBL271709 ZINC29131493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209117 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)CCc3ccc(F)c(F)c3)cc2oc1=O InChI=1S/C36H34F2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-21-29-14-15-30(22-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-16-32(37)33(38)20-25/h3-10,12-16,20-22H,2,11,17-19,23-24H2,1H3,(H,39,41) QTSCLJVLMGAFJO-UHFFFAOYSA-N 50371474 CHEMBL271710 Beta-secretase 1 Homo sapiens 114 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44456430 160850575 CHEMBL271710 ZINC29131496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209118 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2oc1=O InChI=1S/C36H32Cl2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-21-29-14-15-30(22-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-16-32(37)33(38)20-25/h3-17,20-22H,2,18-19,23-24H2,1H3,(H,39,41)/b17-11+ ILLXXNMTJSHHII-GZTJUZNOSA-N 50371470 CHEMBL270248 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44456431 160850571 CHEMBL270248 ZINC29131498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209119 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)Cc3cc(F)cc(F)c3)ccc2oc1=O InChI=1S/C35H32F2N2O4/c1-2-39(22-24-6-4-3-5-7-24)23-25-8-10-27(11-9-25)32-20-28-19-31(12-13-33(28)43-35(32)41)42-15-14-38-34(40)18-26-16-29(36)21-30(37)17-26/h3-13,16-17,19-21H,2,14-15,18,22-23H2,1H3,(H,38,40) YWZCKVAHVJWALI-UHFFFAOYSA-N 50371477 CHEMBL272700 Beta-secretase 1 Homo sapiens 149 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455900 160850578 CHEMBL272700 ZINC29130305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209120 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)\C=C\c3cc(F)cc(F)c3)ccc2oc1=O InChI=1S/C36H32F2N2O4/c1-2-40(23-25-6-4-3-5-7-25)24-26-8-11-28(12-9-26)33-21-29-20-32(13-14-34(29)44-36(33)42)43-17-16-39-35(41)15-10-27-18-30(37)22-31(38)19-27/h3-15,18-22H,2,16-17,23-24H2,1H3,(H,39,41)/b15-10+ OWHHSAFAYNBMOB-XNTDXEJSSA-N 50371473 CHEMBL239046 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24936061 160850574 CHEMBL239046 ZINC29130307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209121 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3 PNZIOQNBQOTGPK-UHFFFAOYSA-N 50218528 3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimethoxy-2H-chromen-2-one::3-{4-[(benzylethylamino)methyl]phenyl}-6,7-dimethoxychromen-2-one::AP-2243::CHEMBL244416 Beta-secretase 1 Homo sapiens 238 ChEMBL 10.1016/j.bmcl.2007.09.100 10.7270/Q2FN171X 17998161 Piazzi, L; Cavalli, A; Colizzi, F; Belluti, F; Bartolini, M; Mancini, F; Recanatini, M; Andrisano, V; Rampa, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23643351 104092244 CHEMBL244416 ZINC28710695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215700 CN1C(N)=NC(C)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C17H16ClN3O/c1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h3-10H,1-2H3,(H2,19,20) NOHPEKSBDPSXOM-UHFFFAOYSA-N 50379900 CHEMBL2011985 Beta-secretase 1 Homo sapiens 4800 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11738522 160858983 CHEMBL2011985 ZINC36376962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215762 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccccc1 InChI=1S/C22H19N3O/c1-25-20(26)22(24-21(25)23,18-12-6-3-7-13-18)19-14-8-11-17(15-19)16-9-4-2-5-10-16/h2-15H,1H3,(H2,23,24) LZIMGTBHFLKUPS-UHFFFAOYSA-N 50379883 CHEMBL2011966 Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25063358 160858966 CHEMBL2011966 ZINC84604957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216831 CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O3S/c1-5-7-19-10-18(13-22(27)24(19)28)11-20-15-33(31,32)16-23(25(20)30)29-14-17-8-6-9-21(12-17)26(2,3)4/h6,8-10,12-13,20,23,25,29-30H,5,7,11,14-16,28H2,1-4H3/t20-,23+,25+/m1/s1 YLUTXNNOPWYZFR-PBXXJUDPSA-N 50386529 CHEMBL2047893 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385528 160865612 CHEMBL2047893 ZINC84669530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216833 CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H30F7N3O4S/c1-23(2,3)15-4-5-34-16(9-15)10-35-18-12-40(37,38)11-14(21(18)36)6-13-7-17(26)20(33)19(8-13)39-22(24(27,28)29)25(30,31)32/h4-5,7-9,14,18,21-22,35-36H,6,10-12,33H2,1-3H3/t14-,18+,21+/m1/s1 BXBKECSXPXOHQB-IBZMOEQTSA-N 50386480 CHEMBL2048057 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388041 160865563 CHEMBL2048057 ZINC84653246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216834 CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H29F7N2O5S/c1-23(2,36)16-5-3-4-13(7-16)10-34-18-12-40(37,38)11-15(21(18)35)6-14-8-17(26)20(33)19(9-14)39-22(24(27,28)29)25(30,31)32/h3-5,7-9,15,18,21-22,34-36H,6,10-12,33H2,1-2H3/t15-,18+,21+/m1/s1 IWBWMEKXFWHGKV-YWMUFLPLSA-N 50386481 CHEMBL2048058 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384270 160865564 CHEMBL2048058 ZINC84653269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216835 CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H31F7N2O5S/c1-24(2,13-36)17-5-3-4-14(7-17)10-35-19-12-41(38,39)11-16(22(19)37)6-15-8-18(27)21(34)20(9-15)40-23(25(28,29)30)26(31,32)33/h3-5,7-9,16,19,22-23,35-37H,6,10-13,34H2,1-2H3/t16-,19+,22+/m1/s1 RUMOYGYSWPCFLL-WVBUVRCRSA-N 50386482 CHEMBL2048059 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384271 160865565 CHEMBL2048059 ZINC84653633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216839 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(NCC44CCC4)c(F)c3)[C@@H]2O)c1 InChI=1S/C28H37FN2O3S/c1-27(2,3)21-7-4-6-18(11-21)14-30-24-16-35(33,34)15-20(26(24)32)10-19-12-22-25(23(29)13-19)31-17-28(22)8-5-9-28/h4,6-7,11-13,20,24,26,30-32H,5,8-10,14-17H2,1-3H3/t20-,24+,26+/m1/s1 ORQHYSJSJRKSEL-PSUQPPDWSA-N 50386520 CHEMBL2047902 Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387317 160865603 CHEMBL2047902 ZINC84654026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216843 CCOC[C@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C28H38F4N2O5S/c1-5-38-14-24(28(30,31)32)39-23-12-18(11-21(29)25(23)33)9-19-15-40(36,37)16-22(26(19)35)34-13-17-7-6-8-20(10-17)27(2,3)4/h6-8,10-12,19,22,24,26,34-35H,5,9,13-16,33H2,1-4H3/t19-,22+,24+,26+/m1/s1 UJZFSYZNJMWXJO-VWMGCSKSSA-N 50386514 CHEMBL2048052 Beta-secretase 1 Homo sapiens 346 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44625321 160865597 CHEMBL2048052 ZINC84669161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216844 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]ccc4c3)[C@@H]2O)c1 InChI=1S/C25H32N2O3S/c1-25(2,3)21-6-4-5-18(13-21)14-27-23-16-31(29,30)15-20(24(23)28)12-17-7-8-22-19(11-17)9-10-26-22/h4-11,13,20,23-24,26-28H,12,14-16H2,1-3H3/t20-,23+,24+/m1/s1 GZRMXDBZPVHCTP-QDSKXPNFSA-N 50386519 CHEMBL2047897 Beta-secretase 1 Homo sapiens 2750 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385773 160865602 CHEMBL2047897 ZINC84668846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216847 COC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C27H36F4N2O5S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-39(35,36)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)38-23(13-37-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+/m1/s1 OJCPUZZPOIXSSB-YIOTYYGMSA-N 50386515 CHEMBL2048053 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44625099 160865598 CHEMBL2048053 ZINC68267544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216849 CCCc1n[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12 InChI=1S/C27H37N3O3S/c1-5-7-23-22-14-18(10-11-24(22)30-29-23)12-20-16-34(32,33)17-25(26(20)31)28-15-19-8-6-9-21(13-19)27(2,3)4/h6,8-11,13-14,20,25-26,28,31H,5,7,12,15-17H2,1-4H3,(H,29,30)/t20-,25+,26+/m1/s1 RCZHEAXBWJEWSG-BQQUOAEZSA-N 50386532 CHEMBL2047896 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385772 160865615 CHEMBL2047896 ZINC84668845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216852 COCCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C29H40F4N2O6S/c1-28(2,3)21-7-5-6-18(11-21)14-35-23-17-42(37,38)16-20(27(23)36)10-19-12-22(30)26(34)24(13-19)41-25(29(31,32)33)15-40-9-8-39-4/h5-7,11-13,20,23,25,27,35-36H,8-10,14-17,34H2,1-4H3/t20-,23+,25-,27+/m1/s1 UFTQHVSGRKPXMV-VVSUHNQASA-N 50386516 CHEMBL2048054 Beta-secretase 1 Homo sapiens 131 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44625323 160865599 CHEMBL2048054 ZINC84652855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216854 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]ncc4c3)[C@@H]2O)c1 InChI=1S/C24H31N3O3S/c1-24(2,3)20-6-4-5-17(11-20)12-25-22-15-31(29,30)14-19(23(22)28)10-16-7-8-21-18(9-16)13-26-27-21/h4-9,11,13,19,22-23,25,28H,10,12,14-15H2,1-3H3,(H,26,27)/t19-,22+,23+/m1/s1 BEVHHCFYKZXXNE-OIBXWCBGSA-N 50386531 CHEMBL2047895 Beta-secretase 1 Homo sapiens 1450 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385533 160865614 CHEMBL2047895 ZINC84669532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216855 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)nc3)[C@@H]2O)c1 InChI=1S/C22H31N3O3S/c1-22(2,3)18-6-4-5-15(10-18)11-24-19-14-29(27,28)13-17(21(19)26)9-16-7-8-20(23)25-12-16/h4-8,10,12,17,19,21,24,26H,9,11,13-14H2,1-3H3,(H2,23,25)/t17-,19+,21+/m1/s1 GBGOGYLTHBEOED-LMNJBCLMSA-N 50386530 CHEMBL2047894 Beta-secretase 1 Homo sapiens 1620 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385530 160865613 CHEMBL2047894 ZINC84669531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216857 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(NCC44CCC(F)(F)CC4)c(F)c3)[C@@H]2O)c1 InChI=1S/C30H39F3N2O3S/c1-28(2,3)22-6-4-5-19(12-22)15-34-25-17-39(37,38)16-21(27(25)36)11-20-13-23-26(24(31)14-20)35-18-29(23)7-9-30(32,33)10-8-29/h4-6,12-14,21,25,27,34-36H,7-11,15-18H2,1-3H3/t21-,25+,27+/m1/s1 YSVPVGYQIWTLEZ-UDZXTKBFSA-N 50386523 CHEMBL2047901 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GU 4D85 57387070 160865606 CHEMBL2047901 ZINC84654025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216863 CCc1c[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12 InChI=1S/C27H36N2O3S/c1-5-20-15-29-24-10-9-18(13-23(20)24)11-21-16-33(31,32)17-25(26(21)30)28-14-19-7-6-8-22(12-19)27(2,3)4/h6-10,12-13,15,21,25-26,28-30H,5,11,14,16-17H2,1-4H3/t21-,25+,26+/m1/s1 OJIHHERXQFICND-NYMACZPPSA-N 50386522 CHEMBL2047900 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387069 160865605 CHEMBL2047900 ZINC84653615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216867 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)[C@@H]2O)c1 InChI=1S/C27H33F3N2O3S/c1-26(2,3)21-6-4-5-18(10-21)13-31-24-16-36(34,35)15-19(25(24)33)9-17-7-8-23-22(11-17)20(14-32-23)12-27(28,29)30/h4-8,10-11,14,19,24-25,31-33H,9,12-13,15-16H2,1-3H3/t19-,24+,25+/m1/s1 OXBSBQCQNMHCTP-NGXZDTIWSA-N 50386521 CHEMBL2047899 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387068 160865604 CHEMBL2047899 ZINC84653614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216898 CCCN1CCC[C@@]11CCN([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)C(C)C)C1=O InChI=1S/C33H48N4O3/c1-5-17-36-18-10-15-33(36)16-19-37(32(33)40)25(4)31(39)35-29(21-26-11-7-6-8-12-26)30(38)23-34-22-27-13-9-14-28(20-27)24(2)3/h6-9,11-14,20,24-25,29-30,34,38H,5,10,15-19,21-23H2,1-4H3,(H,35,39)/t25-,29-,30+,33-/m0/s1 MOXAMLWWFJKUEH-XGZLTPBASA-N 50386524 CHEMBL2047887 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GO 3VEU 66575075 160865607 CHEMBL2047887 ZINC84671088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220193 NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H16FN5/c24-20-6-2-5-19-21(20)22(25)29-23(19,17-7-9-26-10-8-17)18-4-1-3-15(11-18)16-12-27-14-28-13-16/h1-14H,(H2,25,29)/t23-/m1/s1 JTYGZAPMRYLRCN-HSZRJFAPSA-N 50398265 CHEMBL2177904 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205968 163347289 CHEMBL2177904 ZINC95577655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220194 NC1=NC(c2ccccc12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F InChI=1S/C24H16F3N5/c25-24(26,27)21-11-18(8-9-31-21)23(20-7-2-1-6-19(20)22(28)32-23)17-5-3-4-15(10-17)16-12-29-14-30-13-16/h1-14H,(H2,28,32) JLXRYBDDOAPKHW-UHFFFAOYSA-N 50398281 CHEMBL2177308 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449972 163347305 CHEMBL2177308 ZINC95572762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220199 NC1=NC(c2ccccc12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28) AQKMASIJQXIOKJ-UHFFFAOYSA-N 50398282 CHEMBL2177307 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24875236 163347306 CHEMBL2177307 ZINC95573817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220200 NC1=NC(c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C24H16F2N4/c25-19-12-16(13-29-14-19)15-3-1-4-18(11-15)24(17-7-9-28-10-8-17)20-5-2-6-21(26)22(20)23(27)30-24/h1-14H,(H2,27,30) HLWMPHXAKRXVIS-UHFFFAOYSA-N 50398280 CHEMBL2177905 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206294 163347304 CHEMBL2177905 ZINC95577641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220208 NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H16FN5/c24-20-6-2-5-19-21(20)22(25)29-23(19,17-7-9-26-10-8-17)18-4-1-3-15(11-18)16-12-27-14-28-13-16/h1-14H,(H2,25,29)/t23-/m1/s1 JTYGZAPMRYLRCN-HSZRJFAPSA-N 50398265 CHEMBL2177904 Beta-secretase 1 Homo sapiens 8.3 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205968 163347289 CHEMBL2177904 ZINC95577655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220210 NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1 UDQUVXUVXUGJFO-QHCPKHFHSA-N 50398277 CHEMBL2177909 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7F3 4AZY 46206292 163347301 CHEMBL2177909 ZINC95572727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220211 NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1 UDQUVXUVXUGJFO-QHCPKHFHSA-N 50398277 CHEMBL2177909 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7F3 4AZY 46206292 163347301 CHEMBL2177909 ZINC95572727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220212 NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncc(c1)C#N)c1ccnc(c1)C(F)(F)F InChI=1S/C26H15F4N5/c27-21-6-2-5-20-23(21)24(32)35-25(20,19-7-8-34-22(11-19)26(28,29)30)18-4-1-3-16(10-18)17-9-15(12-31)13-33-14-17/h1-11,13-14H,(H2,32,35) LWWIAXXIXLRNGA-UHFFFAOYSA-N 50398278 CHEMBL2177907 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206645 163347302 CHEMBL2177907 ZINC95576334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220213 NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F InChI=1S/C24H15F4N5/c25-19-6-2-5-18-21(19)22(29)33-23(18,17-7-8-32-20(10-17)24(26,27)28)16-4-1-3-14(9-16)15-11-30-13-31-12-15/h1-13H,(H2,29,33) KJPBADHCKFUMIL-UHFFFAOYSA-N 50398279 CHEMBL2177906 Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206642 163347303 CHEMBL2177906 ZINC95571754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220214 Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C25H20FN5/c1-15-9-20(10-16(2)30-15)25(21-7-4-8-22(26)23(21)24(27)31-25)19-6-3-5-17(11-19)18-12-28-14-29-13-18/h3-14H,1-2H3,(H2,27,31) VBXIQPLJRJDWHB-UHFFFAOYSA-N 50398276 CHEMBL2177910 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206643 163347300 CHEMBL2177910 ZINC95574423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220218 CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C26H22FN5O/c1-3-32-14-20(10-16(2)25(32)33)26(21-8-5-9-22(27)23(21)24(28)31-26)19-7-4-6-17(11-19)18-12-29-15-30-13-18/h4-15H,3H2,1-2H3,(H2,28,31) GTKXPBNPVIGANR-UHFFFAOYSA-N 50398270 CHEMBL2177920 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57406717 163347294 CHEMBL2177920 ZINC95575690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220219 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1 TUGLMYZSOPKJOA-PMERELPUSA-N 50393088 CHEMBL2152903 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I6X 4B00 57406537 163342112 CHEMBL2152903 ZINC95574104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220220 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C28H22FN5O/c1-3-34-16-22(10-17(2)27(34)35)28(23-8-5-9-24(29)25(23)26(31)33-28)21-7-4-6-19(12-21)20-11-18(13-30)14-32-15-20/h4-12,14-16H,3H2,1-2H3,(H2,31,33)/t28-/m0/s1 VAUWUKVZPXCDOH-NDEPHWFRSA-N 50393089 CHEMBL2152904 Beta-secretase 1 Homo sapiens 1.8 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449475 163342113 CHEMBL2152904 ZINC95574043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220221 CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C27H22F2N4O/c1-3-33-15-20(10-16(2)26(33)34)27(22-8-5-9-23(29)24(22)25(30)32-27)19-7-4-6-17(11-19)18-12-21(28)14-31-13-18/h4-15H,3H2,1-2H3,(H2,30,32) FLNASPMZRNYEQE-UHFFFAOYSA-N 50398269 CHEMBL2177301 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57406720 163347293 CHEMBL2177301 ZINC95579607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220222 NC1=N[C@@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m1/s1 UDQUVXUVXUGJFO-HSZRJFAPSA-N 50398283 CHEMBL2177306 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455339 163347307 CHEMBL2177306 ZINC95572728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220227 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C28H23ClFN5O2/c1-3-35-15-18(12-16(2)27(35)37)28(21-8-5-9-22(30)24(21)25(31)34-28)17-6-4-7-20(13-17)33-26(36)23-11-10-19(29)14-32-23/h4-15H,3H2,1-2H3,(H2,31,34)(H,33,36)/t28-/m0/s1 ZHBQVFWGAQTZHO-NDEPHWFRSA-N 50398266 CHEMBL2177305 Beta-secretase 1 Homo sapiens 0.150000 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449971 163347290 CHEMBL2177305 ZINC95578684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220235 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)C#CC1CC1 InChI=1S/C27H24FN3O/c1-3-31-16-21(14-17(2)26(31)32)27(22-8-5-9-23(28)24(22)25(29)30-27)20-7-4-6-19(15-20)13-12-18-10-11-18/h4-9,14-16,18H,3,10-11H2,1-2H3,(H2,29,30)/t27-/m0/s1 MTNHQSSEAULFMW-MHZLTWQESA-N 50398267 CHEMBL2177304 Beta-secretase 1 Homo sapiens 0.760000 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449970 163347291 CHEMBL2177304 ZINC95579272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220236 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cc(F)cc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H24F2N4O/c1-4-7-19-11-21(16-34-15-19)20-8-6-9-22(12-20)30(23-10-18(3)29(37)36(5-2)17-23)25-13-24(31)14-26(32)27(25)28(33)35-30/h6,8-17H,5H2,1-3H3,(H2,33,35)/t30-/m0/s1 MAXMBSSGZYMDKT-PMERELPUSA-N 50398268 CHEMBL2177303 Beta-secretase 1 Homo sapiens 0.380000 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453617 163347292 CHEMBL2177303 ZINC95579912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220238 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1 MRXBCEQZNKUUIP-DEOSSOPVSA-N 50398264 CHEMBL2177913 Beta-secretase 1 Homo sapiens 43 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32D 4B05 46202416 163347288 CHEMBL2177913 ZINC68205977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220239 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1 MRXBCEQZNKUUIP-DEOSSOPVSA-N 50398264 CHEMBL2177913 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32D 4B05 46202416 163347288 CHEMBL2177913 ZINC68205977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220242 NC1=N[C@@](c2cc(F)cc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H15F4N5/c25-17-8-18-21(19(26)9-17)23(29)33-24(18,16-4-5-32-20(7-16)22(27)28)15-3-1-2-13(6-15)14-10-30-12-31-11-14/h1-12,22H,(H2,29,33)/t24-/m0/s1 XCGKBIOLPVAHCG-DEOSSOPVSA-N 50398263 CHEMBL2177914 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451832 163347287 CHEMBL2177914 ZINC95573460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220244 CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(N)c2c1cccc2F)c1ccnc(c1)C(F)F InChI=1S/C28H19F3N4/c1-2-5-17-12-19(16-33-15-17)18-6-3-7-20(13-18)28(21-10-11-34-24(14-21)26(30)31)22-8-4-9-23(29)25(22)27(32)35-28/h3-4,6-16,26H,1H3,(H2,32,35) JHBVXZXFCJIAJZ-UHFFFAOYSA-N 50398273 CHEMBL2177915 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457147 163347297 CHEMBL2177915 ZINC95573933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220245 COc1ccc(cc1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C25H19FN4O/c1-31-20-10-8-18(9-11-20)25(21-6-3-7-22(26)23(21)24(27)30-25)19-5-2-4-16(12-19)17-13-28-15-29-14-17/h2-15H,1H3,(H2,27,30) SMSWJWMOZMPDKT-UHFFFAOYSA-N 50398272 CHEMBL2177916 Beta-secretase 1 Homo sapiens 135 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206296 163347296 CHEMBL2177916 ZINC95574464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220248 COc1c(C)cc(nc1C)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C26H22FN5O/c1-15-10-22(31-16(2)24(15)33-3)26(20-8-5-9-21(27)23(20)25(28)32-26)19-7-4-6-17(11-19)18-12-29-14-30-13-18/h4-14H,1-3H3,(H2,28,32) DJUIWDIVXGOXBA-UHFFFAOYSA-N 50398262 CHEMBL2177917 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46202743 163347286 CHEMBL2177917 ZINC68205983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220251 COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C27H20FN5O/c1-16-9-21(11-18(12-29)25(16)34-2)27(22-7-4-8-23(28)24(22)26(30)33-27)20-6-3-5-17(10-20)19-13-31-15-32-14-19/h3-11,13-15H,1-2H3,(H2,30,33) YFSROEJZFCNGBG-UHFFFAOYSA-N 50398271 CHEMBL2177918 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46203391 163347295 CHEMBL2177918 ZINC68205986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220256 Cc1cc(cn(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C25H20FN5O/c1-15-9-19(13-31(2)24(15)32)25(20-7-4-8-21(26)22(20)23(27)30-25)18-6-3-5-16(10-18)17-11-28-14-29-12-17/h3-14H,1-2H3,(H2,27,30) PWBMZGIIIRTNKV-UHFFFAOYSA-N 50398261 CHEMBL2177919 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57406911 163347285 CHEMBL2177919 ZINC95577644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221364 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1 WWRRFQHCNOJJJP-CUTTXCQYSA-N 15799 CHEMBL81671::Macrocyclic BACE inhibitor 1::tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644687 46509465 CHEMBL81671 ZINC26492127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50221368 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 InChI=1S/C37H56N6O7/c1-22(2)30(34(47)39-21-27-15-17-38-18-16-27)42-32(45)24(5)19-29(44)28(20-26-13-11-10-12-14-26)41-33(46)25(6)40-35(48)31(23(3)4)43-36(49)50-37(7,8)9/h10-18,22-25,28-31,44H,19-21H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,42,45)(H,43,49)/t24-,25+,28+,29+,30+,31+/m1/s1 WWRRFQHCNOJJJP-CUTTXCQYSA-N 15799 CHEMBL81671::Macrocyclic BACE inhibitor 1::tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644687 46509465 CHEMBL81671 ZINC26492127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222426 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C)c(c1)-c1cccnc1 InChI=1S/C24H24N4O2/c1-15-7-8-19(13-20(15)17-6-5-11-26-14-17)24(22(29)28(3)23(25)27-24)18-9-10-21(30-4)16(2)12-18/h5-14H,1-4H3,(H2,25,27) AIBQLQGSZCUSCL-UHFFFAOYSA-N 50303720 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(4-methyl-3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565995 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11538592 104158081 CHEMBL565995 ZINC34629567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222428 COc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-7-4-3-5-8-12)13-9-6-10-14(11-13)22-2/h3-11H,1-2H3,(H2,18,19) BNTCTQFWBJMVDZ-UHFFFAOYSA-N 50303740 2-amino-4-(3-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL576628 Beta-secretase 1 Homo sapiens 3467 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488109 104158101 CHEMBL576628 ZINC45290914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222432 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18) IMGNUVBMHZZYCN-UHFFFAOYSA-N 50310154 2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL597233::rac-2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 2679 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951413 104144515 CHEMBL597233 ZINC34806279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222467 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3443 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222468 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O3/c1-27-21(28)23(26-22(27)24,18-9-10-19(29-2)20(13-18)30-3)17-8-4-6-15(12-17)16-7-5-11-25-14-16/h4-14H,1-3H3,(H2,24,26) VJMOHDYSQCGYSS-UHFFFAOYSA-N 50303733 2-amino-4-(3,4-dimethoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566403 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11589453 104158094 CHEMBL566403 ZINC35878767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222469 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) TWVGNKMRZLBNOD-UHFFFAOYSA-N 50303719 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566200::rac-2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search X45 3INF 11516577 104158080 CHEMBL566200 ZINC45245214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222470 NC1=NC(C(=O)N1)(c1ccccc1)c1ccccc1 InChI=1S/C15H13N3O/c16-14-17-13(19)15(18-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19) KMAGLUVYQQBXIR-UHFFFAOYSA-N 50303754 2-Imino-5,5-diphenyl-imidazolidin-4-one::2-amino-4,4-diphenyl-1H-imidazol-5(4H)-one::CHEMBL56002 Beta-secretase 1 Homo sapiens 19999 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 213731 104158115 CHEMBL56002 ZINC12376028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222471 COc1ccc(cc1OC(C)C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C25H26N4O3/c1-16(2)32-22-14-20(10-11-21(22)31-4)25(23(30)29(3)24(26)28-25)19-9-5-7-17(13-19)18-8-6-12-27-15-18/h5-16H,1-4H3,(H2,26,28) WTQARMXDFIUYMM-UHFFFAOYSA-N 50303723 2-amino-4-(3-isopropoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567687 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11539235 104158084 CHEMBL567687 ZINC34630726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222472 CCN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C17H17N3O/c1-2-20-15(21)17(19-16(20)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19) NAIMLLJOOQROJZ-UHFFFAOYSA-N 50303753 2-amino-1-ethyl-4,4-diphenyl-1H-imidazol-5(4H)-one::CHEMBL567053 Beta-secretase 1 Homo sapiens 7998 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488103 104158114 CHEMBL567053 ZINC45245611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222473 CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27) DXWZHAPHEZJJSL-UHFFFAOYSA-N 50303749 2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566406 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11611402 104158110 CHEMBL566406 ZINC35933312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222474 CN1C(N)=NC(C1=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22) BEDDENNXVBITIQ-UHFFFAOYSA-N 50303718 5-Adamantan-1-yl-2-amino-3-methyl-5-phenyl-3,5-dihydro-imidazol-4-one::CHEMBL585952 Beta-secretase 1 Homo sapiens 1531 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 593 3IND 16050640 104158079 CHEMBL585952 ZINC34948295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222475 NC1=NC(C2CCCCC2)(C(=O)N1CCCO)c1ccccc1 InChI=1S/C18H25N3O2/c19-17-20-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16(23)21(17)12-7-13-22/h1,3-4,8-9,15,22H,2,5-7,10-13H2,(H2,19,20) DOBKRHKXKDKCIU-UHFFFAOYSA-N 50305482 2-amino-4-cyclohexyl-1-(3-hydroxypropyl)-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL605079 Beta-secretase 1 Homo sapiens 4797 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050837 104159843 CHEMBL605079 ZINC34948626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222476 NC1=NC(C2CCCCC2)(C(=O)N1Cc1cc(F)cc(F)c1)c1ccccc1 InChI=1S/C22H23F2N3O/c23-18-11-15(12-19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H2,25,26) QUKQOEWZOAXBOR-UHFFFAOYSA-N 50305480 2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL592533 Beta-secretase 1 Homo sapiens 1079 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050834 104159841 CHEMBL592533 ZINC34948616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222477 NC1=NC(C2CCCCC2)(C(=O)N1CC1CCCO1)c1ccccc1 InChI=1S/C20H27N3O2/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H2,21,22) DWDSPZQJZVOFAW-UHFFFAOYSA-N 50305481 2-amino-4-cyclohexyl-4-phenyl-1-((tetrahydrofuran-2-yl)methyl)-1H-imidazol-5(4H)-one::CHEMBL592534 Beta-secretase 1 Homo sapiens 1040 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050932 104159842 CHEMBL592534 ZINC34948795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222478 COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C21H18FN5O2/c1-27-19(28)21(26-20(27)23,14-3-6-16(29-2)7-4-14)15-5-8-18(22)17(9-15)13-10-24-12-25-11-13/h3-12H,1-2H3,(H2,23,26) RVOJQIIUOOLEPR-UHFFFAOYSA-N 50417810 CHEMBL1651460 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50417810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50417810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53325758 163366834 CHEMBL1651460 ZINC43103529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222479 NC1=NC(C2CCCCC2)(C(=O)N1Cc1ccccc1)c1ccccc1 InChI=1S/C22H25N3O/c23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,23,24) AZYGPVIFZHZTAH-UHFFFAOYSA-N 50305479 2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL585215 Beta-secretase 1 Homo sapiens 1239 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051038 104159840 CHEMBL585215 ZINC34948992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222480 CCCCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C24H33N3O2/c1-3-4-9-29-20-7-5-19(6-8-20)24(21(28)27(2)22(25)26-24)23-13-16-10-17(14-23)12-18(11-16)15-23/h5-8,16-18H,3-4,9-15H2,1-2H3,(H2,25,26) JJIVIBNFUQPABT-UHFFFAOYSA-N 50303737 5-Adamantan-1-yl-2-amino-5-(4-butoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585286 Beta-secretase 1 Homo sapiens 871 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050552 104158098 CHEMBL585286 ZINC34948158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222481 COc1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C27H28N4O2/c1-31-25(32)27(30-26(31)28,21-11-5-9-19(15-21)20-10-6-14-29-17-20)22-12-13-24(33-2)23(16-22)18-7-3-4-8-18/h5-6,9-18H,3-4,7-8H2,1-2H3,(H2,28,30) LBTDLQNIKCPSHI-UHFFFAOYSA-N 50303724 2-amino-4-(3-cyclopentyl-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565790 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11553983 104158085 CHEMBL565790 ZINC35801399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222482 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H24F3N3O2/c1-27-17(28)20(26-18(27)25,15-2-4-16(5-3-15)29-21(22,23)24)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H2,25,26) KKUVYLRKCGXDSS-UHFFFAOYSA-N 50303732 5-Adamantan-1-yl-2-amino-3-methyl-5-(4-trifluoromethoxy-phenyl)-3,5-diydro-imidazol-4-one::CHEMBL583899 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488101 104158093 CHEMBL583899 ZINC45317151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222483 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cnccn1 InChI=1S/C19H16N6O/c1-25-17(26)19(24-18(25)20,14-5-7-21-8-6-14)15-4-2-3-13(11-15)16-12-22-9-10-23-16/h2-12H,1H3,(H2,20,24) RXUACQZGEBHKBX-UHFFFAOYSA-N 50314612 2-amino-1-methyl-4-(3-(pyrazin-2-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1090026 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951488 104148973 CHEMBL1090026 ZINC34806434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222484 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F InChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25) CMYIUDXGRYVNQW-UHFFFAOYSA-N 50314603 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1090027 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46884002 104148964 CHEMBL1090027 ZINC49067891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222485 CCCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C26H28N4O3/c1-4-5-14-33-23-16-21(11-12-22(23)32-3)26(24(31)30(2)25(27)29-26)20-10-6-8-18(15-20)19-9-7-13-28-17-19/h6-13,15-17H,4-5,14H2,1-3H3,(H2,27,29) YGOMBZILOXVUMF-UHFFFAOYSA-N 50303752 2-amino-4-(3-butoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567061 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11510567 104158113 CHEMBL567061 ZINC45245860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222486 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H21N5O2/c1-14-9-18(7-8-19(14)29-3)22(20(28)27(2)21(23)26-22)17-6-4-5-15(10-17)16-11-24-13-25-12-16/h4-13H,1-3H3,(H2,23,26) NJDRPIPNXBADEH-UHFFFAOYSA-N 50303739 2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566012 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11668187 104158100 CHEMBL566012 ZINC38215394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222487 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C22H17N5O/c1-27-20(28)22(26-21(27)24,18-8-10-25-11-9-18)19-7-3-6-17(13-19)16-5-2-4-15(12-16)14-23/h2-13H,1H3,(H2,24,26) MADLMWLQBKXXTR-UHFFFAOYSA-N 50314609 3'-(2-amino-1-methyl-5-oxo-4-(pyridin-4-yl)-4,5-dihydro-1H-imidazol-4-yl)biphenyl-3-carbonitrile::CHEMBL1092475 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951487 104148970 CHEMBL1092475 ZINC34806430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222488 CCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O2/c1-3-27-18-6-4-17(5-7-18)22(19(26)25(2)20(23)24-22)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,3,8-13H2,1-2H3,(H2,23,24) LOQLIYCILQUEKV-UHFFFAOYSA-N 50303721 5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL566198 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050551 104158082 CHEMBL566198 ZINC34948154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222489 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25) BYOHYWAJTOLKKC-UHFFFAOYSA-N 50314610 2-amino-4-(3'-fluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092476 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951420 104148971 CHEMBL1092476 ZINC34806305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222490 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) FZVZGKTWGPYMHW-UHFFFAOYSA-N 50303717 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL566011::rac-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488119 104158078 CHEMBL566011 ZINC45246053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222491 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1ccnc(C)c1 InChI=1S/C20H18N6O/c1-13-8-17(6-7-24-13)20(18(27)26(2)19(21)25-20)16-5-3-4-14(9-16)15-10-22-12-23-11-15/h3-12H,1-2H3,(H2,21,25) WVICKDVVFIIGRI-UHFFFAOYSA-N 50310157 CHEMBL598258::rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950667 104144518 CHEMBL598258 ZINC34804871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222492 CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26) INKNZABLNYYGBD-UHFFFAOYSA-N 50310158 CHEMBL598259::rac-2-amino-4-(2-ethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950597 104144519 CHEMBL598259 ZINC34804739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222493 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24) RDWGKVFCNRXSNW-UHFFFAOYSA-N 50310149 2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL598876::rac-2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15951416 104144510 CHEMBL598876 ZINC34806291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209126 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)C1CCCCC1 InChI=1S/C35H49F2N3O3/c1-4-13-40(14-5-2)35(43)28-16-23(3)15-27(20-28)34(42)39-32(19-24-17-29(36)22-30(37)18-24)33(41)31-21-26(11-12-38-31)25-9-7-6-8-10-25/h15-18,20,22,25-26,31-33,38,41H,4-14,19,21H2,1-3H3,(H,39,42)/t26-,31+,32-,33+/m0/s1 HPZJATXZBWZOFX-NEVPTIFISA-N 50372192 CHEMBL257091 Beta-secretase 1 Homo sapiens 610 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455335 160851293 CHEMBL257091 ZINC29128927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209127 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 UKXYKYZOSFWZIM-FLQGXGFZSA-N 50227345 CHEMBL255194::N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1R,2S)-1-((2R,4S)-4-benzylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 522 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 314 3CIB 24808496 104097379 CHEMBL255194 ZINC24975749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209128 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CC1 InChI=1S/C33H45F2N3O4/c1-4-10-38(11-5-2)33(41)25-13-21(3)12-24(17-25)32(40)37-30(16-23-14-26(34)18-27(35)15-23)31(39)29-19-28(8-9-36-29)42-20-22-6-7-22/h12-15,17-18,22,28-31,36,39H,4-11,16,19-20H2,1-3H3,(H,37,40)/t28-,29+,30-,31+/m0/s1 WSFDRCGQYOUFEJ-XFBWMNOSSA-N 50372187 CHEMBL404078 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11650016 160851288 CHEMBL404078 ZINC29128783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209129 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 InChI=1S/C29H39F2N3O3/c1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t25-,26+,27-/m1/s1 YVAHUCDZRFTLIY-KWXIBIRDSA-N 50227347 CHEMBL270153::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-piperidin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455419 104097380 CHEMBL270153 ZINC29129051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209130 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OC(C)=O InChI=1S/C31H41F2N3O5/c1-5-9-36(10-6-2)31(40)23-12-19(3)11-22(16-23)30(39)35-28(15-21-13-24(32)17-25(33)14-21)29(38)27-18-26(7-8-34-27)41-20(4)37/h11-14,16-17,26-29,34,38H,5-10,15,18H2,1-4H3,(H,35,39)/t26-,27+,28-,29+/m0/s1 MORGCTFWWMNIEY-ICYKMPLBSA-N 50372190 CHEMBL256676 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455303 160851291 CHEMBL256676 ZINC29128883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209131 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CCc2ccccc2)CCN1 InChI=1S/C37H47F2N3O3/c1-4-15-42(16-5-2)37(45)30-18-25(3)17-29(23-30)36(44)41-34(22-28-19-31(38)24-32(39)20-28)35(43)33-21-27(13-14-40-33)12-11-26-9-7-6-8-10-26/h6-10,17-20,23-24,27,33-35,40,43H,4-5,11-16,21-22H2,1-3H3,(H,41,44)/t27-,33+,34-,35+/m0/s1 KBVPZKQXFAMKSU-IIFCFJOHSA-N 50372193 CHEMBL256904 Beta-secretase 1 Homo sapiens 191 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455334 160851294 CHEMBL256904 ZINC29128926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209132 CCC[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC InChI=1S/C32H45F2N3O3/c1-5-8-22-9-10-35-28(17-22)30(38)29(18-23-15-26(33)20-27(34)16-23)36-31(39)24-13-21(4)14-25(19-24)32(40)37(11-6-2)12-7-3/h13-16,19-20,22,28-30,35,38H,5-12,17-18H2,1-4H3,(H,36,39)/t22-,28+,29-,30+/m0/s1 MMSXGVAPNNIHSW-GEYQZXRLSA-N 50372197 CHEMBL258083 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455390 160851298 CHEMBL258083 ZINC29129011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209133 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CCCCC1 InChI=1S/C36H51F2N3O4/c1-4-13-41(14-5-2)36(44)28-16-24(3)15-27(20-28)35(43)40-33(19-26-17-29(37)21-30(38)18-26)34(42)32-22-31(11-12-39-32)45-23-25-9-7-6-8-10-25/h15-18,20-21,25,31-34,39,42H,4-14,19,22-23H2,1-3H3,(H,40,43)/t31-,32+,33-,34+/m0/s1 OSVQUANTTIARBU-GJZXTFMBSA-N 50372184 CHEMBL402276 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455208 160851285 CHEMBL402276 ZINC29128728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209134 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CC2CCCCC2)CCN1 InChI=1S/C36H51F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h15-16,18-19,22-23,25-26,32-34,39,42H,4-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 QUQBNDBRZFKIQQ-FLQGXGFZSA-N 50372191 CHEMBL257087 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455302 160851292 CHEMBL257087 ZINC29128882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209135 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCN(C)C InChI=1S/C33H48F2N4O4/c1-6-10-39(11-7-2)33(42)25-15-22(3)14-24(19-25)32(41)37-30(18-23-16-26(34)20-27(35)17-23)31(40)29-21-28(8-9-36-29)43-13-12-38(4)5/h14-17,19-20,28-31,36,40H,6-13,18,21H2,1-5H3,(H,37,41)/t28-,29+,30-,31+/m0/s1 KCPUSDLIDQXISF-XFBWMNOSSA-N 50372185 CHEMBL256372 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455207 160851286 CHEMBL256372 ZINC29128727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209136 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OC InChI=1S/C29H39F2N3O4/c1-5-7-34(8-6-2)29(37)21-10-18(3)9-20(14-21)28(36)33-26(13-19-11-22(30)15-23(31)12-19)27(35)25-16-24(38-4)17-32-25/h9-12,14-15,24-27,32,35H,5-8,13,16-17H2,1-4H3,(H,33,36)/t24-,25-,26+,27-/m1/s1 IQDCIRJRTXUGDV-JVYGEBFASA-N 50372199 CHEMBL255372 Beta-secretase 1 Homo sapiens 187 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455060 160851300 CHEMBL255372 ZINC29128512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209137 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCOC InChI=1S/C32H45F2N3O5/c1-5-9-37(10-6-2)32(40)24-14-21(3)13-23(18-24)31(39)36-29(17-22-15-25(33)19-26(34)16-22)30(38)28-20-27(7-8-35-28)42-12-11-41-4/h13-16,18-19,27-30,35,38H,5-12,17,20H2,1-4H3,(H,36,39)/t27-,28+,29-,30+/m0/s1 QZIUWBOXWNXLDR-RRGQHJHPSA-N 50372186 CHEMBL257645 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11664318 160851287 CHEMBL257645 ZINC29128780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209138 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 UKXYKYZOSFWZIM-FLQGXGFZSA-N 50227345 CHEMBL255194::N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1R,2S)-1-((2R,4S)-4-benzylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 314 3CIB 24808496 104097379 CHEMBL255194 ZINC24975749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209139 CCC[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC InChI=1S/C32H45F2N3O3/c1-5-8-22-9-10-35-28(17-22)30(38)29(18-23-15-26(33)20-27(34)16-23)36-31(39)24-13-21(4)14-25(19-24)32(40)37(11-6-2)12-7-3/h13-16,19-20,22,28-30,35,38H,5-12,17-18H2,1-4H3,(H,36,39)/t22-,28+,29-,30+/m0/s1 MMSXGVAPNNIHSW-GEYQZXRLSA-N 50372197 CHEMBL258083 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455390 160851298 CHEMBL258083 ZINC29129011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209140 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 InChI=1S/C29H39F2N3O3/c1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t25-,26+,27-/m1/s1 YVAHUCDZRFTLIY-KWXIBIRDSA-N 50227347 CHEMBL270153::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-piperidin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455419 104097380 CHEMBL270153 ZINC29129051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209141 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CC1 InChI=1S/C33H45F2N3O4/c1-4-10-38(11-5-2)33(41)25-13-21(3)12-24(17-25)32(40)37-30(16-23-14-26(34)18-27(35)15-23)31(39)29-19-28(8-9-36-29)42-20-22-6-7-22/h12-15,17-18,22,28-31,36,39H,4-11,16,19-20H2,1-3H3,(H,37,40)/t28-,29+,30-,31+/m0/s1 WSFDRCGQYOUFEJ-XFBWMNOSSA-N 50372187 CHEMBL404078 Beta-secretase 1 Homo sapiens 121 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11650016 160851288 CHEMBL404078 ZINC29128783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209142 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)C1CCCCC1 InChI=1S/C35H49F2N3O3/c1-4-13-40(14-5-2)35(43)28-16-23(3)15-27(20-28)34(42)39-32(19-24-17-29(36)22-30(37)18-24)33(41)31-21-26(11-12-38-31)25-9-7-6-8-10-25/h15-18,20,22,25-26,31-33,38,41H,4-14,19,21H2,1-3H3,(H,39,42)/t26-,31+,32-,33+/m0/s1 HPZJATXZBWZOFX-NEVPTIFISA-N 50372192 CHEMBL257091 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455335 160851293 CHEMBL257091 ZINC29128927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209143 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OC(C)=O InChI=1S/C31H41F2N3O5/c1-5-9-36(10-6-2)31(40)23-12-19(3)11-22(16-23)30(39)35-28(15-21-13-24(32)17-25(33)14-21)29(38)27-18-26(7-8-34-27)41-20(4)37/h11-14,16-17,26-29,34,38H,5-10,15,18H2,1-4H3,(H,35,39)/t26-,27+,28-,29+/m0/s1 MORGCTFWWMNIEY-ICYKMPLBSA-N 50372190 CHEMBL256676 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455303 160851291 CHEMBL256676 ZINC29128883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209144 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CCc2ccccc2)CCN1 InChI=1S/C37H47F2N3O3/c1-4-15-42(16-5-2)37(45)30-18-25(3)17-29(23-30)36(44)41-34(22-28-19-31(38)24-32(39)20-28)35(43)33-21-27(13-14-40-33)12-11-26-9-7-6-8-10-26/h6-10,17-20,23-24,27,33-35,40,43H,4-5,11-16,21-22H2,1-3H3,(H,41,44)/t27-,33+,34-,35+/m0/s1 KBVPZKQXFAMKSU-IIFCFJOHSA-N 50372193 CHEMBL256904 Beta-secretase 1 Homo sapiens 1850 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455334 160851294 CHEMBL256904 ZINC29128926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209145 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CCCCC1 InChI=1S/C36H51F2N3O4/c1-4-13-41(14-5-2)36(44)28-16-24(3)15-27(20-28)35(43)40-33(19-26-17-29(37)21-30(38)18-26)34(42)32-22-31(11-12-39-32)45-23-25-9-7-6-8-10-25/h15-18,20-21,25,31-34,39,42H,4-14,19,22-23H2,1-3H3,(H,40,43)/t31-,32+,33-,34+/m0/s1 OSVQUANTTIARBU-GJZXTFMBSA-N 50372184 CHEMBL402276 Beta-secretase 1 Homo sapiens 567 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455208 160851285 CHEMBL402276 ZINC29128728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209146 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CC2CCCCC2)CCN1 InChI=1S/C36H51F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h15-16,18-19,22-23,25-26,32-34,39,42H,4-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 QUQBNDBRZFKIQQ-FLQGXGFZSA-N 50372191 CHEMBL257087 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455302 160851292 CHEMBL257087 ZINC29128882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209147 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCOC InChI=1S/C32H45F2N3O5/c1-5-9-37(10-6-2)32(40)24-14-21(3)13-23(18-24)31(39)36-29(17-22-15-25(33)19-26(34)16-22)30(38)28-20-27(7-8-35-28)42-12-11-41-4/h13-16,18-19,27-30,35,38H,5-12,17,20H2,1-4H3,(H,36,39)/t27-,28+,29-,30+/m0/s1 QZIUWBOXWNXLDR-RRGQHJHPSA-N 50372186 CHEMBL257645 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11664318 160851287 CHEMBL257645 ZINC29128780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209148 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCN(C)C InChI=1S/C33H48F2N4O4/c1-6-10-39(11-7-2)33(42)25-15-22(3)14-24(19-25)32(41)37-30(18-23-16-26(34)20-27(35)17-23)31(40)29-21-28(8-9-36-29)43-13-12-38(4)5/h14-17,19-20,28-31,36,40H,6-13,18,21H2,1-5H3,(H,37,41)/t28-,29+,30-,31+/m0/s1 KCPUSDLIDQXISF-XFBWMNOSSA-N 50372185 CHEMBL256372 Beta-secretase 1 Homo sapiens 482 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455207 160851286 CHEMBL256372 ZINC29128727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209149 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OC InChI=1S/C29H39F2N3O4/c1-5-7-34(8-6-2)29(37)21-10-18(3)9-20(14-21)28(36)33-26(13-19-11-22(30)15-23(31)12-19)27(35)25-16-24(38-4)17-32-25/h9-12,14-15,24-27,32,35H,5-8,13,16-17H2,1-4H3,(H,33,36)/t24-,25-,26+,27-/m1/s1 IQDCIRJRTXUGDV-JVYGEBFASA-N 50372199 CHEMBL255372 Beta-secretase 1 Homo sapiens 780 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455060 160851300 CHEMBL255372 ZINC29128512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209150 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 YDCNYSQITCUGST-FEFKUCBWSA-N 50372181 CHEMBL403727 Beta-secretase 1 Homo sapiens 165 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS9 2QMF 11614083 160851282 CHEMBL403727 ZINC16052458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209151 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 GZHSLBYVXGDJDF-NXVJRICRSA-N 50372198 CHEMBL270359 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS7 2QMD 11556254 160851299 CHEMBL270359 ZINC16052459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209152 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 YDCNYSQITCUGST-FEFKUCBWSA-N 50372181 CHEMBL403727 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS9 2QMF 11614083 160851282 CHEMBL403727 ZINC16052458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209153 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 GZHSLBYVXGDJDF-NXVJRICRSA-N 50372198 CHEMBL270359 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS7 2QMD 11556254 160851299 CHEMBL270359 ZINC16052459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209154 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCN1 InChI=1S/C27H35F2N3O3/c1-4-8-32(9-5-2)27(35)20-11-17(3)10-19(15-20)26(34)31-24(25(33)23-6-7-30-23)14-18-12-21(28)16-22(29)13-18/h10-13,15-16,23-25,30,33H,4-9,14H2,1-3H3,(H,31,34)/t23-,24+,25-/m1/s1 WULLYSXEDSDDPT-DSNGMDLFSA-N 50372183 CHEMBL272320 Beta-secretase 1 Homo sapiens 770 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455094 160851284 CHEMBL272320 ZINC29128562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209155 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OC(C)C InChI=1S/C32H45F2N3O4/c1-6-10-37(11-7-2)32(40)24-13-21(5)12-23(17-24)31(39)36-29(16-22-14-25(33)18-26(34)15-22)30(38)28-19-27(8-9-35-28)41-20(3)4/h12-15,17-18,20,27-30,35,38H,6-11,16,19H2,1-5H3,(H,36,39)/t27-,28+,29-,30+/m0/s1 FODNXSYOKTVTCQ-RRGQHJHPSA-N 50372188 CHEMBL401527 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455269 160851289 CHEMBL401527 ZINC29128830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209156 CCCCO[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC InChI=1S/C33H47F2N3O4/c1-5-8-13-42-28-9-10-36-29(21-28)31(39)30(18-23-16-26(34)20-27(35)17-23)37-32(40)24-14-22(4)15-25(19-24)33(41)38(11-6-2)12-7-3/h14-17,19-20,28-31,36,39H,5-13,18,21H2,1-4H3,(H,37,40)/t28-,29+,30-,31+/m0/s1 KFFGTGJROQQPNX-XFBWMNOSSA-N 50372189 CHEMBL399979 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11714054 160851290 CHEMBL399979 ZINC29128829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209157 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCN1 InChI=1S/C28H37F2N3O3/c1-4-9-33(10-5-2)28(36)21-12-18(3)11-20(16-21)27(35)32-25(26(34)24-7-6-8-31-24)15-19-13-22(29)17-23(30)14-19/h11-14,16-17,24-26,31,34H,4-10,15H2,1-3H3,(H,32,35)/t24-,25+,26-/m1/s1 QOXKSOYSLISNQZ-UODIDJSMSA-N 50372200 CHEMBL256434 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455062 160851301 CHEMBL256434 ZINC29128514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209158 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](O)CN1 InChI=1S/C28H37F2N3O4/c1-4-6-33(7-5-2)28(37)20-9-17(3)8-19(13-20)27(36)32-25(26(35)24-15-23(34)16-31-24)12-18-10-21(29)14-22(30)11-18/h8-11,13-14,23-26,31,34-35H,4-7,12,15-16H2,1-3H3,(H,32,36)/t23-,24-,25+,26-/m1/s1 CPPXTZVZIDUKJO-FXSWLTOZSA-N 50372182 CHEMBL404680 Beta-secretase 1 Homo sapiens 1450 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455061 160851283 CHEMBL404680 ZINC29128513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209159 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCN1 InChI=1S/C27H35F2N3O3/c1-4-8-32(9-5-2)27(35)20-11-17(3)10-19(15-20)26(34)31-24(25(33)23-6-7-30-23)14-18-12-21(28)16-22(29)13-18/h10-13,15-16,23-25,30,33H,4-9,14H2,1-3H3,(H,31,34)/t23-,24+,25-/m1/s1 WULLYSXEDSDDPT-DSNGMDLFSA-N 50372183 CHEMBL272320 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455094 160851284 CHEMBL272320 ZINC29128562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209160 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCN1 InChI=1S/C28H37F2N3O3/c1-4-9-33(10-5-2)28(36)21-12-18(3)11-20(16-21)27(35)32-25(26(34)24-7-6-8-31-24)15-19-13-22(29)17-23(30)14-19/h11-14,16-17,24-26,31,34H,4-10,15H2,1-3H3,(H,32,35)/t24-,25+,26-/m1/s1 QOXKSOYSLISNQZ-UODIDJSMSA-N 50372200 CHEMBL256434 Beta-secretase 1 Homo sapiens 65 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455062 160851301 CHEMBL256434 ZINC29128514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209161 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](O)CN1 InChI=1S/C28H37F2N3O4/c1-4-6-33(7-5-2)28(37)20-9-17(3)8-19(13-20)27(36)32-25(26(35)24-15-23(34)16-31-24)12-18-10-21(29)14-22(30)11-18/h8-11,13-14,23-26,31,34-35H,4-7,12,15-16H2,1-3H3,(H,32,36)/t23-,24-,25+,26-/m1/s1 CPPXTZVZIDUKJO-FXSWLTOZSA-N 50372182 CHEMBL404680 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455061 160851283 CHEMBL404680 ZINC29128513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209162 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OC(C)C InChI=1S/C32H45F2N3O4/c1-6-10-37(11-7-2)32(40)24-13-21(5)12-23(17-24)31(39)36-29(16-22-14-25(33)18-26(34)15-22)30(38)28-19-27(8-9-35-28)41-20(3)4/h12-15,17-18,20,27-30,35,38H,6-11,16,19H2,1-5H3,(H,36,39)/t27-,28+,29-,30+/m0/s1 FODNXSYOKTVTCQ-RRGQHJHPSA-N 50372188 CHEMBL401527 Beta-secretase 1 Homo sapiens 858 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455269 160851289 CHEMBL401527 ZINC29128830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209163 CCCCO[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC InChI=1S/C33H47F2N3O4/c1-5-8-13-42-28-9-10-36-29(21-28)31(39)30(18-23-16-26(34)20-27(35)17-23)37-32(40)24-14-22(4)15-25(19-24)33(41)38(11-6-2)12-7-3/h14-17,19-20,28-31,36,39H,5-13,18,21H2,1-4H3,(H,37,40)/t28-,29+,30-,31+/m0/s1 KFFGTGJROQQPNX-XFBWMNOSSA-N 50372189 CHEMBL399979 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11714054 160851290 CHEMBL399979 ZINC29128829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209164 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccc(OC)cc2)CCN1 InChI=1S/C37H47F2N3O4/c1-5-13-42(14-6-2)37(45)29-16-24(3)15-28(22-29)36(44)41-34(21-27-18-30(38)23-31(39)19-27)35(43)33-20-26(11-12-40-33)17-25-7-9-32(46-4)10-8-25/h7-10,15-16,18-19,22-23,26,33-35,40,43H,5-6,11-14,17,20-21H2,1-4H3,(H,41,44)/t26-,33-,34+,35-/m1/s1 GBUKYTVLTOIORB-NUUAREAFSA-N 50372194 CHEMBL428074 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455371 160851295 CHEMBL428074 ZINC29128971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209165 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1 JWYOKBPWLVCFKU-ICYKMPLBSA-N 50227337 CHEMBL257278::N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-((2R,4S)-4-ethoxypiperidin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 106 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SC7 2QP8 11592145 104097378 CHEMBL257278 ZINC16052468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209166 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccc(OC)cc2)CCN1 InChI=1S/C37H47F2N3O4/c1-5-13-42(14-6-2)37(45)29-16-24(3)15-28(22-29)36(44)41-34(21-27-18-30(38)23-31(39)19-27)35(43)33-20-26(11-12-40-33)17-25-7-9-32(46-4)10-8-25/h7-10,15-16,18-19,22-23,26,33-35,40,43H,5-6,11-14,17,20-21H2,1-4H3,(H,41,44)/t26-,33-,34+,35-/m1/s1 GBUKYTVLTOIORB-NUUAREAFSA-N 50372194 CHEMBL428074 Beta-secretase 1 Homo sapiens 440 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455371 160851295 CHEMBL428074 ZINC29128971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209167 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2cccc(OC)c2)CCN1 InChI=1S/C37H47F2N3O4/c1-5-12-42(13-6-2)37(45)29-15-24(3)14-28(22-29)36(44)41-34(21-27-17-30(38)23-31(39)18-27)35(43)33-20-26(10-11-40-33)16-25-8-7-9-32(19-25)46-4/h7-9,14-15,17-19,22-23,26,33-35,40,43H,5-6,10-13,16,20-21H2,1-4H3,(H,41,44)/t26-,33-,34+,35-/m1/s1 ZFNBTDVLFDGNJZ-NUUAREAFSA-N 50372195 CHEMBL257907 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455370 160851296 CHEMBL257907 ZINC29128970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209168 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2OC)CCN1 InChI=1S/C37H47F2N3O4/c1-5-13-42(14-6-2)37(45)29-16-24(3)15-28(22-29)36(44)41-33(21-26-18-30(38)23-31(39)19-26)35(43)32-20-25(11-12-40-32)17-27-9-7-8-10-34(27)46-4/h7-10,15-16,18-19,22-23,25,32-33,35,40,43H,5-6,11-14,17,20-21H2,1-4H3,(H,41,44)/t25-,32-,33+,35-/m1/s1 UFCKGWDMISCCKX-DOICAPFNSA-N 50372196 CHEMBL257735 Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455369 160851297 CHEMBL257735 ZINC29128969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209169 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1 JWYOKBPWLVCFKU-ICYKMPLBSA-N 50227337 CHEMBL257278::N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE::N1-((1R,2S)-3-(3,5-difluorophenyl)-1-((2R,4S)-4-ethoxypiperidin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2007.10.116 10.7270/Q2RV0PJH 18023580 Iserloh, U; Wu, Y; Cumming, JN; Pan, J; Wang, LY; Stamford, AW; Kennedy, ME; Kuvelkar, R; Chen, X; Parker, EM; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50227337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50227337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SC7 2QP8 11592145 104097378 CHEMBL257278 ZINC16052468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209170 NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28) FJIMRIOSHHZOSF-UHFFFAOYSA-N 16752 2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7b Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16090342 46516972 ZINC14962109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209171 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCC(N)=O InChI=1S/C26H30ClN5O3/c1-2-16-35-19-11-9-18(10-12-19)22-13-14-23(20-6-3-4-7-21(20)27)32(22)17-25(34)31-26(29)30-15-5-8-24(28)33/h3-4,6-7,9-14H,2,5,8,15-17H2,1H3,(H2,28,33)(H3,29,30,31,34) MYRWJPSGSVKXQC-UHFFFAOYSA-N 50372263 CHEMBL256000 Beta-secretase 1 Homo sapiens 137 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455500 160851364 CHEMBL256000 ZINC29129185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209172 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCSC InChI=1S/C26H31ClN4O2S/c1-3-16-33-20-11-9-19(10-12-20)23-13-14-24(21-7-4-5-8-22(21)27)31(23)18-25(32)30-26(28)29-15-6-17-34-2/h4-5,7-14H,3,6,15-18H2,1-2H3,(H3,28,29,30,32) LKJDBYNCRGUHRD-UHFFFAOYSA-N 50372262 CHEMBL403107 Beta-secretase 1 Homo sapiens 321 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455472 160851363 CHEMBL403107 ZINC29129141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209173 N=C(NCCC#N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C26H31N5O/c27-9-4-10-29-25(28)30-24(32)17-31-22(21-5-2-1-3-6-21)7-8-23(31)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-3,5-8,18-20H,4,10-17H2,(H3,28,29,30,32) VFUAEAGDSUOPNB-UHFFFAOYSA-N 50372251 CHEMBL258356 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11611694 160851352 CHEMBL258356 ZINC29130058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209174 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1 InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) MIEKBLPHNQZVQQ-UHFFFAOYSA-N 16753 2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl]-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7c::CHEMBL253237::N-{2-[2-[4-(4-Acetyl-phenoxy)-phenyl]-5-(2-chloro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 310 2ZDZ 11583947 46516973 CHEMBL253237 ZINC14962112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209175 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCC1OCCO1 InChI=1S/C27H31ClN4O4/c1-2-15-34-20-9-7-19(8-10-20)23-11-12-24(21-5-3-4-6-22(21)28)32(23)18-25(33)31-27(29)30-14-13-26-35-16-17-36-26/h3-12,26H,2,13-18H2,1H3,(H3,29,30,31,33) CEKXYBHYDCNTLT-UHFFFAOYSA-N 50372261 CHEMBL272718 Beta-secretase 1 Homo sapiens 269 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455881 160851362 CHEMBL272718 ZINC29130244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209181 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCn1ccnc1 InChI=1S/C28H31ClN6O2/c1-2-18-37-22-10-8-21(9-11-22)25-12-13-26(23-6-3-4-7-24(23)29)35(25)19-27(36)33-28(30)32-14-5-16-34-17-15-31-20-34/h3-4,6-13,15,17,20H,2,5,14,16,18-19H2,1H3,(H3,30,32,33,36) NXDUYTJKKDOUSB-UHFFFAOYSA-N 50372254 CHEMBL272719 Beta-secretase 1 Homo sapiens 241 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455882 160851355 CHEMBL272719 ZINC29130246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209183 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1 InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24) WVLDNAVUCUAGDP-UHFFFAOYSA-N 16751 (N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide)::Acylguanidine, 7a::CHEMBL217068::N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 251 2QU2 11290116 46516971 CHEMBL217068 DB06930 ZINC14962105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209186 OCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C25H32N4O2/c26-24(27-8-9-30)28-23(31)16-29-21(20-4-2-1-3-5-20)6-7-22(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h1-7,17-19,30H,8-16H2,(H3,26,27,28,31) GLWULQDVZHSINV-UHFFFAOYSA-N 50372252 CHEMBL258355 Beta-secretase 1 Homo sapiens 680 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11604171 160851353 CHEMBL258355 ZINC29130056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209187 OCC(O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C26H34N4O3/c27-25(28-14-21(32)16-31)29-24(33)15-30-22(20-4-2-1-3-5-20)6-7-23(30)26-11-17-8-18(12-26)10-19(9-17)13-26/h1-7,17-19,21,31-32H,8-16H2,(H3,27,28,29,33) MEUINWBCISNLQC-UHFFFAOYSA-N 50372247 CHEMBL401832 Beta-secretase 1 Homo sapiens 536 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11604834 160851348 CHEMBL401832 ZINC29129890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209194 Nc1cccc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)c1 InChI=1S/C30H35N5O/c31-25-8-4-5-20(14-25)18-33-29(32)34-28(36)19-35-26(24-6-2-1-3-7-24)9-10-27(35)30-15-21-11-22(16-30)13-23(12-21)17-30/h1-10,14,21-23H,11-13,15-19,31H2,(H3,32,33,34,36) FBFLBMMXZWTOMN-UHFFFAOYSA-N 50372240 CHEMBL257099 Beta-secretase 1 Homo sapiens 744 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25121609 160851341 CHEMBL257099 ZINC29129636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209195 Cc1csc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)n1 InChI=1S/C28H33N5OS/c1-18-17-35-26(31-18)15-30-27(29)32-25(34)16-33-23(22-5-3-2-4-6-22)7-8-24(33)28-12-19-9-20(13-28)11-21(10-19)14-28/h2-8,17,19-21H,9-16H2,1H3,(H3,29,30,32,34) SNMJDCLMHPLDAA-UHFFFAOYSA-N 50372242 CHEMBL404166 Beta-secretase 1 Homo sapiens 276 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11576737 160851343 CHEMBL404166 ZINC29129715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216903 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)F)c4c3)[C@@H]2O)c1 InChI=1S/C27H34F2N2O3S/c1-27(2,3)21-6-4-5-18(10-21)13-30-24-16-35(33,34)15-20(26(24)32)9-17-7-8-23-22(11-17)19(14-31-23)12-25(28)29/h4-8,10-11,14,20,24-26,30-32H,9,12-13,15-16H2,1-3H3/t20-,24+,26+/m1/s1 OOZZVYSXZBAROL-PSUQPPDWSA-N 50386533 CHEMBL2047898 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GT 4D83,3VG1 57387067 160865616 CHEMBL2047898 ZINC84653228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216904 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)C3CC3)[C@@H]2O)c1 InChI=1S/C26H35FN2O3S/c1-26(2,3)20-6-4-5-16(10-20)13-29-23-15-33(31,32)14-19(25(23)30)9-17-11-21(18-7-8-18)24(28)22(27)12-17/h4-6,10-12,18-19,23,25,29-30H,7-9,13-15,28H2,1-3H3/t19-,23+,25+/m1/s1 DGWCWEHCOJXRCG-VPHKFGTKSA-N 50386492 CHEMBL2047907 Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386049 160865575 CHEMBL2047907 ZINC84654698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216917 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3cc[nH]n3)[C@@H]2O)c1 InChI=1S/C26H33FN4O3S/c1-26(2,3)19-6-4-5-16(10-19)13-29-23-15-35(33,34)14-18(25(23)32)9-17-11-20(22-7-8-30-31-22)24(28)21(27)12-17/h4-8,10-12,18,23,25,29,32H,9,13-15,28H2,1-3H3,(H,30,31)/t18-,23+,25+/m1/s1 JVAXIHSFKUXWQI-DPQOWFAMSA-N 50386493 CHEMBL2047908 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25195985 160865576 CHEMBL2047908 ZINC59048656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216955 CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1 JMAIWRCWOGUIRQ-VOWSPCBNSA-N 50386486 CHEMBL2048063 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384274 160865569 CHEMBL2048063 ZINC84653660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216959 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3ccco3)[C@@H]2O)c1 InChI=1S/C27H33FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-21(24-8-5-9-34-24)25(29)22(28)13-18/h4-9,11-13,19,23,26,30-31H,10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1 YBNSYBGLSOPBBM-BLFHIAQRSA-N 50386498 CHEMBL2047909 Beta-secretase 1 Homo sapiens 1380 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387320 160865581 CHEMBL2047909 ZINC84654700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216962 CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1 InChI=1S/C24H31F7N4O4S/c1-22(2,3)12-35-9-14(8-34-35)7-33-17-11-40(37,38)10-15(20(17)36)4-13-5-16(25)19(32)18(6-13)39-21(23(26,27)28)24(29,30)31/h5-6,8-9,15,17,20-21,33,36H,4,7,10-12,32H2,1-3H3/t15-,17+,20+/m1/s1 AZZAPLDRNFVCMT-SYNHAJSKSA-N 50386485 CHEMBL2048062 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57384273 160865568 CHEMBL2048062 ZINC84653659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216966 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3ccoc3)[C@@H]2O)c1 InChI=1S/C27H33FN2O4S/c1-27(2,3)21-6-4-5-17(10-21)13-30-24-16-35(32,33)15-20(26(24)31)9-18-11-22(19-7-8-34-14-19)25(29)23(28)12-18/h4-8,10-12,14,20,24,26,30-31H,9,13,15-16,29H2,1-3H3/t20-,24+,26+/m1/s1 OVECGFUVEQTVAK-PSUQPPDWSA-N 50386494 CHEMBL2047910 Beta-secretase 1 Homo sapiens 2350 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387579 160865577 CHEMBL2047910 ZINC84653845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216968 CN(C)CC(=O)Nc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc1F InChI=1S/C27H38FN3O4S/c1-27(2,3)21-8-6-7-19(12-21)14-29-24-17-36(34,35)16-20(26(24)33)11-18-9-10-23(22(28)13-18)30-25(32)15-31(4)5/h6-10,12-13,20,24,26,29,33H,11,14-17H2,1-5H3,(H,30,32)/t20-,24+,26+/m1/s1 MPFKNFHORVXLRK-PSUQPPDWSA-N 50386488 CHEMBL2047903 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624304 160865571 CHEMBL2047903 ZINC84654027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216969 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C25H35FN2O3S/c1-5-18-9-17(12-21(26)23(18)27)10-19-14-32(30,31)15-22(24(19)29)28-13-16-7-6-8-20(11-16)25(2,3)4/h6-9,11-12,19,22,24,28-29H,5,10,13-15,27H2,1-4H3/t19-,22+,24+/m1/s1 ORGFAXNNSAIXQN-UCFCWBNQSA-N 50386489 CHEMBL2047904 Beta-secretase 1 Homo sapiens 1770 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387580 160865572 CHEMBL2047904 ZINC84653844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220262 NC1=NC(c2cccc(F)c12)(c1ccnc(c1)C1CC1)c1cccc(c1)-c1cncnc1 InChI=1S/C26H20FN5/c27-22-6-2-5-21-24(22)25(28)32-26(21,20-9-10-31-23(12-20)16-7-8-16)19-4-1-3-17(11-19)18-13-29-15-30-14-18/h1-6,9-16H,7-8H2,(H2,28,32) HLZIYZMSCOXBTI-UHFFFAOYSA-N 50398275 CHEMBL2177113 Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46202081 163347299 CHEMBL2177113 ZINC95577003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220271 COc1cc(ccn1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C24H18FN5O/c1-31-21-11-18(8-9-29-21)24(19-6-3-7-20(25)22(19)23(26)30-24)17-5-2-4-15(10-17)16-12-27-14-28-13-16/h2-14H,1H3,(H2,26,30) OJAQXSAISVSZNQ-UHFFFAOYSA-N 50398274 CHEMBL2177911 Beta-secretase 1 Homo sapiens 401 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206977 163347298 CHEMBL2177911 ZINC95573370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220272 NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H16FN5/c24-20-6-2-5-19-21(20)22(25)29-23(19,17-7-9-26-10-8-17)18-4-1-3-15(11-18)16-12-27-14-28-13-16/h1-14H,(H2,25,29)/t23-/m1/s1 JTYGZAPMRYLRCN-HSZRJFAPSA-N 50398265 CHEMBL2177904 Beta-secretase 1 Homo sapiens 158 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205968 163347289 CHEMBL2177904 ZINC95577655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220273 NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H16FN5/c24-20-6-2-5-19-21(20)22(25)29-23(19,17-7-9-26-10-8-17)18-4-1-3-15(11-18)16-12-27-14-28-13-16/h1-14H,(H2,25,29)/t23-/m1/s1 JTYGZAPMRYLRCN-HSZRJFAPSA-N 50398265 CHEMBL2177904 Beta-secretase 1 Homo sapiens 124 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46205968 163347289 CHEMBL2177904 ZINC95577655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220274 NC1=NC(c2ccccc12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28) AQKMASIJQXIOKJ-UHFFFAOYSA-N 50398282 CHEMBL2177307 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24875236 163347306 CHEMBL2177307 ZINC95573817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220276 NC1=NC(c2ccccc12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F InChI=1S/C24H16F3N5/c25-24(26,27)21-11-18(8-9-31-21)23(20-7-2-1-6-19(20)22(28)32-23)17-5-3-4-15(10-17)16-12-29-14-30-13-16/h1-14H,(H2,28,32) JLXRYBDDOAPKHW-UHFFFAOYSA-N 50398281 CHEMBL2177308 Beta-secretase 1 Homo sapiens 134 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449972 163347305 CHEMBL2177308 ZINC95572762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220277 CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C26H22FN5O/c1-3-32-14-20(10-16(2)25(32)33)26(21-8-5-9-22(27)23(21)24(28)31-26)19-7-4-6-17(11-19)18-12-29-15-30-13-18/h4-15H,3H2,1-2H3,(H2,28,31) GTKXPBNPVIGANR-UHFFFAOYSA-N 50398270 CHEMBL2177920 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57406717 163347294 CHEMBL2177920 ZINC95575690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220278 NC1=NC(c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C24H16F2N4/c25-19-12-16(13-29-14-19)15-3-1-4-18(11-15)24(17-7-9-28-10-8-17)20-5-2-6-21(26)22(20)23(27)30-24/h1-14H,(H2,27,30) HLWMPHXAKRXVIS-UHFFFAOYSA-N 50398280 CHEMBL2177905 Beta-secretase 1 Homo sapiens 137 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206294 163347304 CHEMBL2177905 ZINC95577641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220282 NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F InChI=1S/C24H15F4N5/c25-19-6-2-5-18-21(19)22(29)33-23(18,17-7-8-32-20(10-17)24(26,27)28)16-4-1-3-14(9-16)15-11-30-13-31-12-15/h1-13H,(H2,29,33) KJPBADHCKFUMIL-UHFFFAOYSA-N 50398279 CHEMBL2177906 Beta-secretase 1 Homo sapiens 241 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206642 163347303 CHEMBL2177906 ZINC95571754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220287 NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncc(c1)C#N)c1ccnc(c1)C(F)(F)F InChI=1S/C26H15F4N5/c27-21-6-2-5-20-23(21)24(32)35-25(20,19-7-8-34-22(11-19)26(28,29)30)18-4-1-3-16(10-18)17-9-15(12-31)13-33-14-17/h1-11,13-14H,(H2,32,35) LWWIAXXIXLRNGA-UHFFFAOYSA-N 50398278 CHEMBL2177907 Beta-secretase 1 Homo sapiens 253 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206645 163347302 CHEMBL2177907 ZINC95576334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220289 NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1 UDQUVXUVXUGJFO-QHCPKHFHSA-N 50398277 CHEMBL2177909 Beta-secretase 1 Homo sapiens 198 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7F3 4AZY 46206292 163347301 CHEMBL2177909 ZINC95572727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220295 NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1 UDQUVXUVXUGJFO-QHCPKHFHSA-N 50398277 CHEMBL2177909 Beta-secretase 1 Homo sapiens 125 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7F3 4AZY 46206292 163347301 CHEMBL2177909 ZINC95572727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220296 Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C25H20FN5/c1-15-9-20(10-16(2)30-15)25(21-7-4-8-22(26)23(21)24(27)31-25)19-6-3-5-17(11-19)18-12-28-14-29-13-18/h3-14H,1-2H3,(H2,27,31) VBXIQPLJRJDWHB-UHFFFAOYSA-N 50398276 CHEMBL2177910 Beta-secretase 1 Homo sapiens 1380 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206643 163347300 CHEMBL2177910 ZINC95574423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220304 CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C27H22F2N4O/c1-3-33-15-20(10-16(2)26(33)34)27(22-8-5-9-23(29)24(22)25(30)32-27)19-7-4-6-17(11-19)18-12-21(28)14-31-13-18/h4-15H,3H2,1-2H3,(H2,30,32) FLNASPMZRNYEQE-UHFFFAOYSA-N 50398269 CHEMBL2177301 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57406720 163347293 CHEMBL2177301 ZINC95579607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220313 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C28H22FN5O/c1-3-34-16-22(10-17(2)27(34)35)28(23-8-5-9-24(29)25(23)26(31)33-28)21-7-4-6-19(12-21)20-11-18(13-30)14-32-15-20/h4-12,14-16H,3H2,1-2H3,(H2,31,33)/t28-/m0/s1 VAUWUKVZPXCDOH-NDEPHWFRSA-N 50393089 CHEMBL2152904 Beta-secretase 1 Homo sapiens 8.3 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449475 163342113 CHEMBL2152904 ZINC95574043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220321 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cc(F)cc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H24F2N4O/c1-4-7-19-11-21(16-34-15-19)20-8-6-9-22(12-20)30(23-10-18(3)29(37)36(5-2)17-23)25-13-24(31)14-26(32)27(25)28(33)35-30/h6,8-17H,5H2,1-3H3,(H2,33,35)/t30-/m0/s1 MAXMBSSGZYMDKT-PMERELPUSA-N 50398268 CHEMBL2177303 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453617 163347292 CHEMBL2177303 ZINC95579912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220323 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)C#CC1CC1 InChI=1S/C27H24FN3O/c1-3-31-16-21(14-17(2)26(31)32)27(22-8-5-9-23(28)24(22)25(29)30-27)20-7-4-6-19(15-20)13-12-18-10-11-18/h4-9,14-16,18H,3,10-11H2,1-2H3,(H2,29,30)/t27-/m0/s1 MTNHQSSEAULFMW-MHZLTWQESA-N 50398267 CHEMBL2177304 Beta-secretase 1 Homo sapiens 6.1 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449970 163347291 CHEMBL2177304 ZINC95579272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220326 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C28H23ClFN5O2/c1-3-35-15-18(12-16(2)27(35)37)28(21-8-5-9-22(30)24(21)25(31)34-28)17-6-4-7-20(13-17)33-26(36)23-11-10-19(29)14-32-23/h4-15H,3H2,1-2H3,(H2,31,34)(H,33,36)/t28-/m0/s1 ZHBQVFWGAQTZHO-NDEPHWFRSA-N 50398266 CHEMBL2177305 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449971 163347290 CHEMBL2177305 ZINC95578684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220328 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1 TUGLMYZSOPKJOA-PMERELPUSA-N 50393088 CHEMBL2152903 Beta-secretase 1 Homo sapiens 0.160000 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I6X 4B00 57406537 163342112 CHEMBL2152903 ZINC95574104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222494 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24) AIKOTXHNUIYVMD-UHFFFAOYSA-N 50310155 2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL604590::rac-2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 472 3IN3 15950666 104144516 CHEMBL604590 ZINC34804868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222495 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25) DCYJRONKTIQNEU-UHFFFAOYSA-N 50310156 CHEMBL598257::rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950595 104144517 CHEMBL598257 ZINC34804730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222496 COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26) YWRKDNPWZYLYMH-UHFFFAOYSA-N 50303745 2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566223 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11632510 104158106 CHEMBL566223 ZINC35967805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222497 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Cl)c1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19) QWEOCJPATDOXQJ-UHFFFAOYSA-N 50303728 2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL578410 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488113 104158089 CHEMBL578410 ZINC45290657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222498 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(Cl)cc1 InChI=1S/C16H14ClN3O/c1-20-14(21)16(19-15(20)18,11-5-3-2-4-6-11)12-7-9-13(17)10-8-12/h2-10H,1H3,(H2,18,19) UKYITZHCXATSAD-UHFFFAOYSA-N 50303741 2-amino-4-(4-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL566007 Beta-secretase 1 Homo sapiens 2249 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488115 104158102 CHEMBL566007 ZINC45245813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222499 COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-6-4-3-5-7-12)13-8-10-14(22-2)11-9-13/h3-11H,1-2H3,(H2,18,19) VJOYOUKJSHACSN-UHFFFAOYSA-N 50303746 2-amino-4-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL577905 Beta-secretase 1 Homo sapiens 3097 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488114 104158107 CHEMBL577905 ZINC45291047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222500 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13?,14?,15?,20?,21-/m0/s1 BGCGXOOJJMGOQV-CPGUEHHYSA-N 50303748 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL585128 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488098 104158109 CHEMBL585128 ZINC34948148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222501 CCc1cc(cc(CC)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28) QQPRKWVAAAEILV-UHFFFAOYSA-N 50310152 CHEMBL597277::rac-2-amino-4-(2,6-diethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BX2 3IN4 46231500 104144513 CHEMBL597277 ZINC45355320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222502 COc1ccc(cn1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H19F3N4O3/c1-30-20(31)22(29-21(30)27,16-7-9-18(10-8-16)33-23(24,25)26)17-5-3-4-14(12-17)15-6-11-19(32-2)28-13-15/h3-13H,1-2H3,(H2,27,29) FPLFNFQJKPTNSQ-UHFFFAOYSA-N 50303730 2-amino-4-(3-(6-methoxypyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566212 Beta-secretase 1 Homo sapiens 899 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488116 104158091 CHEMBL566212 ZINC45245824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222503 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23,16-4-5-17(27-2)18(9-16)28-3)21-10-13-6-14(11-21)8-15(7-13)12-21/h4-5,9,13-15H,6-8,10-12H2,1-3H3,(H2,23,24) UOXQVRHHHXEQIR-UHFFFAOYSA-N 50303742 5-Adamantan-1-yl-2-amino-5-(3,4-dimethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL567485 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050641 104158103 CHEMBL567485 ZINC34948299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222504 CC(C)c1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27) WEPVSZQVQNITEF-UHFFFAOYSA-N 50310159 CHEMBL590492::rac-2-amino-4-(2-isopropylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231497 104144520 CHEMBL590492 ZINC45336921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222505 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1cc(C)nc(C)c1 InChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26) AZEJJBDMXZISKY-UHFFFAOYSA-N 50310151 CHEMBL597062::rac-2-amino-4-(2,6-dimethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15950662 104144512 CHEMBL597062 ZINC34804852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222506 CCc1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 InChI=1S/C22H22N6O/c1-4-19-10-18(8-14(2)26-19)22(20(29)28(3)21(23)27-22)17-7-5-6-15(9-17)16-11-24-13-25-12-16/h5-13H,4H2,1-3H3,(H2,23,27) YWXKDGOOFUZNNG-UHFFFAOYSA-N 50310160 CHEMBL603664::rac-2-amino-4-(2-ethyl-6-methylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46231498 104144521 CHEMBL603664 ZINC45385176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222507 CCCCCCN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 InChI=1S/C21H31N3O/c1-2-3-4-11-16-24-19(25)21(23-20(24)22,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5,7-8,12-13,18H,2-4,6,9-11,14-16H2,1H3,(H2,22,23) ASRKRRQDKDMWOY-UHFFFAOYSA-N 50305476 2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one::CHEMBL593979 Beta-secretase 1 Homo sapiens 1390 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16051040 104159837 CHEMBL593979 ZINC34948999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222508 NC1=NC(C2CCCCC2)(C(=O)N1CCCCCC(O)=O)c1ccccc1 InChI=1S/C21H29N3O3/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(27)24(20)15-9-3-8-14-18(25)26/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H2,22,23)(H,25,26) RRIUOHGQLUNAMR-UHFFFAOYSA-N 50305477 6-(2-amino-4-cyclohexyl-5-oxo-4-phenyl-4,5-dihydro-1H-imidazol-1-yl)hexanoic acid::CHEMBL607527 Beta-secretase 1 Homo sapiens 951 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16050938 104159838 CHEMBL607527 ZINC34948818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222509 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-8-10-25-11-9-14)15-5-2-4-13(12-15)16-6-3-7-17(22)18(16)23/h2-12H,1H3,(H2,24,26) GIDCLQLMYYYDAO-UHFFFAOYSA-N 50314611 2-amino-4-(2',3'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092786 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46883935 104148972 CHEMBL1092786 ZINC49125784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222510 COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27) OHTIBTGUVJBMTO-UHFFFAOYSA-N 50303736 5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-4,5-dihydro-1H-imidazol-4-yl)-2-methoxybenzonitrile::CHEMBL568114 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11639859 104158097 CHEMBL568114 ZINC35983589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222511 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1 JIBQVJZSWQNHLX-HSZRJFAPSA-N 50303727 (4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL584695 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488105 104158088 CHEMBL584695 ZINC43152619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222512 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29) JFVCKHOQNLFVNL-UHFFFAOYSA-N 50303757 2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL567258 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45488111 104158118 CHEMBL567258 ZINC45246010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50222513 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccc2OCCOc2c1 InChI=1S/C23H20N4O3/c1-27-21(28)23(26-22(27)24,18-7-8-19-20(13-18)30-11-10-29-19)17-6-2-4-15(12-17)16-5-3-9-25-14-16/h2-9,12-14H,10-11H2,1H3,(H2,24,26) ZREWWVASMZJDGY-UHFFFAOYSA-N 50303751 2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL584917 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1016/j.ejmech.2010.10.014 10.7270/Q2P55PRK 21093114 Li, Z; Zhou, M; Wu, F; Li, R; Ding, Z Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11654224 104158112 CHEMBL584917 ZINC45318235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209200 N=C(NCCc1ccsc1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C29H34N4OS/c30-28(31-10-8-20-9-11-35-19-20)32-27(34)18-33-25(24-4-2-1-3-5-24)6-7-26(33)29-15-21-12-22(16-29)14-23(13-21)17-29/h1-7,9,11,19,21-23H,8,10,12-18H2,(H3,30,31,32,34) OKCOMIFVBSEZJL-UHFFFAOYSA-N 50372239 CHEMBL404020 Beta-secretase 1 Homo sapiens 565 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25120899 160851340 CHEMBL404020 ZINC29129638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209201 C[C@@H](O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C26H34N4O2/c1-17(31)15-28-25(27)29-24(32)16-30-22(21-5-3-2-4-6-21)7-8-23(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h2-8,17-20,31H,9-16H2,1H3,(H3,27,28,29,32)/t17-,18?,19?,20?,26?/m1/s1 JGJCMKRVGNTUNF-ZFGQVMFLSA-N 50372249 CHEMBL256063 Beta-secretase 1 Homo sapiens 437 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11590166 160851350 CHEMBL256063 ZINC29129978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209207 OCCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C27H36N4O2/c28-26(29-10-4-5-11-32)30-25(33)18-31-23(22-6-2-1-3-7-22)8-9-24(31)27-15-19-12-20(16-27)14-21(13-19)17-27/h1-3,6-9,19-21,32H,4-5,10-18H2,(H3,28,29,30,33) AOJLTSHEKDBULR-UHFFFAOYSA-N 50372250 CHEMBL404897 Beta-secretase 1 Homo sapiens 255 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11619283 160851351 CHEMBL404897 ZINC29130052 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209217 O[C@H]1CC[C@@H](CC1)NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C29H38N4O2/c30-28(31-23-6-8-24(34)9-7-23)32-27(35)18-33-25(22-4-2-1-3-5-22)10-11-26(33)29-15-19-12-20(16-29)14-21(13-19)17-29/h1-5,10-11,19-21,23-24,34H,6-9,12-18H2,(H3,30,31,32,35)/t19?,20?,21?,23-,24-,29? SQOOPOCFLZTWPZ-AGHWWSTESA-N 50372245 CHEMBL402576 Beta-secretase 1 Homo sapiens 283 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11719839 160851346 CHEMBL402576 ZINC29129883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209219 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1ccc(F)c(F)c1F InChI=1S/C29H26ClF3N4O2/c1-2-15-39-20-10-7-18(8-11-20)24-13-14-25(21-5-3-4-6-22(21)30)37(24)17-26(38)36-29(34)35-16-19-9-12-23(31)28(33)27(19)32/h3-14H,2,15-17H2,1H3,(H3,34,35,36,38) BVZZQNZVAJXFFB-UHFFFAOYSA-N 50372258 CHEMBL269943 Beta-secretase 1 Homo sapiens 203 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455860 160851359 CHEMBL269943 ZINC29130191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209224 Cc1nnc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)o1 InChI=1S/C27H32N6O2/c1-17-31-32-25(35-17)15-29-26(28)30-24(34)16-33-22(21-5-3-2-4-6-21)7-8-23(33)27-12-18-9-19(13-27)11-20(10-18)14-27/h2-8,18-20H,9-16H2,1H3,(H3,28,29,30,34) GXGXFCURQIPRDS-UHFFFAOYSA-N 50372243 CHEMBL272766 Beta-secretase 1 Homo sapiens 665 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11655813 160851344 CHEMBL272766 ZINC29129714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209234 N=C(NCCc1cccs1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C29H34N4OS/c30-28(31-11-10-24-7-4-12-35-24)32-27(34)19-33-25(23-5-2-1-3-6-23)8-9-26(33)29-16-20-13-21(17-29)15-22(14-20)18-29/h1-9,12,20-22H,10-11,13-19H2,(H3,30,31,32,34) VWSHNSNFWXAUPS-UHFFFAOYSA-N 50372241 CHEMBL272765 Beta-secretase 1 Homo sapiens 559 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11533200 160851342 CHEMBL272765 ZINC29129713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209235 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1ccco1 InChI=1S/C27H27ClN4O3/c1-2-15-34-20-11-9-19(10-12-20)24-13-14-25(22-7-3-4-8-23(22)28)32(24)18-26(33)31-27(29)30-17-21-6-5-16-35-21/h3-14,16H,2,15,17-18H2,1H3,(H3,29,30,31,33) XCQIQYJMELHHDM-UHFFFAOYSA-N 50372259 CHEMBL404341 Beta-secretase 1 Homo sapiens 558 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455859 160851360 CHEMBL404341 ZINC29130189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209238 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)N[C@H]1CC[C@H](O)CC1 InChI=1S/C28H33ClN4O3/c1-2-17-36-22-13-7-19(8-14-22)25-15-16-26(23-5-3-4-6-24(23)29)33(25)18-27(35)32-28(30)31-20-9-11-21(34)12-10-20/h3-8,13-16,20-21,34H,2,9-12,17-18H2,1H3,(H3,30,31,32,35)/t20-,21- RIMWIBZLKSCOTR-MEMLXQNLSA-N 50372267 CHEMBL428075 Beta-secretase 1 Homo sapiens 125 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455554 160851368 CHEMBL428075 ZINC29129299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209239 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCC(C)(C)CO InChI=1S/C27H33ClN4O3/c1-4-15-35-20-11-9-19(10-12-20)23-13-14-24(21-7-5-6-8-22(21)28)32(23)16-25(34)31-26(29)30-17-27(2,3)18-33/h5-14,33H,4,15-18H2,1-3H3,(H3,29,30,31,34) LMAAWGDHFWWCOX-UHFFFAOYSA-N 50372255 CHEMBL271422 Beta-secretase 1 Homo sapiens 203 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455474 160851356 CHEMBL271422 ZINC29129144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209240 N=C(NCCCC#N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C27H33N5O/c28-10-4-5-11-30-26(29)31-25(33)18-32-23(22-6-2-1-3-7-22)8-9-24(32)27-15-19-12-20(16-27)14-21(13-19)17-27/h1-3,6-9,19-21H,4-5,11-18H2,(H3,29,30,31,33) SBURTOXJOBDAJO-UHFFFAOYSA-N 50372238 CHEMBL438355 Beta-secretase 1 Homo sapiens 255 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11525068 160851339 CHEMBL438355 ZINC29130120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209241 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1ccc(O)c(OC)c1 InChI=1S/C30H31ClN4O4/c1-3-16-39-22-11-9-21(10-12-22)25-13-14-26(23-6-4-5-7-24(23)31)35(25)19-29(37)34-30(32)33-18-20-8-15-27(36)28(17-20)38-2/h4-15,17,36H,3,16,18-19H2,1-2H3,(H3,32,33,34,37) LAZRAJWJPCBIIB-UHFFFAOYSA-N 50372253 CHEMBL271440 Beta-secretase 1 Homo sapiens 651 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455830 160851354 CHEMBL271440 ZINC29130118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209242 N=C(NCCCn1ccnc1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C29H36N6O/c30-28(32-9-4-11-34-12-10-31-20-34)33-27(36)19-35-25(24-5-2-1-3-6-24)7-8-26(35)29-16-21-13-22(17-29)15-23(14-21)18-29/h1-3,5-8,10,12,20-23H,4,9,11,13-19H2,(H3,30,32,33,36) GCDIUGROZAXYOQ-UHFFFAOYSA-N 50372246 CHEMBL256823 Beta-secretase 1 Homo sapiens 1710 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25120557 160851347 CHEMBL256823 ZINC29129892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209247 OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C26H34N4O2/c27-25(28-9-4-10-31)29-24(32)17-30-22(21-5-2-1-3-6-21)7-8-23(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-3,5-8,18-20,31H,4,9-17H2,(H3,27,28,29,32) CSKSXMSGBMJKQZ-UHFFFAOYSA-N 16754 2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]acetamide::Acylguanidine, 10b Beta-secretase 1 Homo sapiens 239 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11640634 46516974 ZINC14962116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209249 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCC(N)=O InChI=1S/C25H28ClN5O3/c1-2-15-34-18-9-7-17(8-10-18)21-11-12-22(19-5-3-4-6-20(19)26)31(21)16-24(33)30-25(28)29-14-13-23(27)32/h3-12H,2,13-16H2,1H3,(H2,27,32)(H3,28,29,30,33) KJOSSSCOHUKPCS-UHFFFAOYSA-N 50372256 CHEMBL272970 Beta-secretase 1 Homo sapiens 172 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455530 160851357 CHEMBL272970 ZINC29129231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209251 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)N[C@H]1CC[C@@H](CC1)C(O)=O InChI=1S/C29H33ClN4O4/c1-2-17-38-22-13-9-19(10-14-22)25-15-16-26(23-5-3-4-6-24(23)30)34(25)18-27(35)33-29(31)32-21-11-7-20(8-12-21)28(36)37/h3-6,9-10,13-16,20-21H,2,7-8,11-12,17-18H2,1H3,(H,36,37)(H3,31,32,33,35)/t20-,21- MRHNNBPCXHTLFC-MEMLXQNLSA-N 50372257 CHEMBL271914 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455581 160851358 CHEMBL271914 ZINC29129379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209254 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCC(O)=O InChI=1S/C25H27ClN4O4/c1-2-15-34-18-9-7-17(8-10-18)21-11-12-22(19-5-3-4-6-20(19)26)30(21)16-23(31)29-25(27)28-14-13-24(32)33/h3-12H,2,13-16H2,1H3,(H,32,33)(H3,27,28,29,31) SNKKIRHQIJPOAM-UHFFFAOYSA-N 50372265 CHEMBL270820 Beta-secretase 1 Homo sapiens 278 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455529 160851366 CHEMBL270820 ZINC29129230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209255 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCC(O)CO InChI=1S/C25H29ClN4O4/c1-2-13-34-19-9-7-17(8-10-19)22-11-12-23(20-5-3-4-6-21(20)26)30(22)15-24(33)29-25(27)28-14-18(32)16-31/h3-12,18,31-32H,2,13-16H2,1H3,(H3,27,28,29,33) SDMVYEVXSWLCQD-UHFFFAOYSA-N 50372264 CHEMBL430034 Beta-secretase 1 Homo sapiens 124 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455501 160851365 CHEMBL430034 ZINC29129187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209257 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCC(O)=O InChI=1S/C26H29ClN4O4/c1-2-16-35-19-11-9-18(10-12-19)22-13-14-23(20-6-3-4-7-21(20)27)31(22)17-24(32)30-26(28)29-15-5-8-25(33)34/h3-4,6-7,9-14H,2,5,8,15-17H2,1H3,(H,33,34)(H3,28,29,30,32) UBFOLAWIDLJDQK-UHFFFAOYSA-N 50372266 CHEMBL273186 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455531 160851367 CHEMBL273186 ZINC29129233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209260 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32) FDBNUXAMAFEWOP-UHFFFAOYSA-N 16755 Acylguanidine, 10d::N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl]acetamide Beta-secretase 1 Homo sapiens 121 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16090348 46516975 ZINC14962120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209261 C[C@H](O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C26H34N4O2/c1-17(31)15-28-25(27)29-24(32)16-30-22(21-5-3-2-4-6-21)7-8-23(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h2-8,17-20,31H,9-16H2,1H3,(H3,27,28,29,32)/t17-,18?,19?,20?,26?/m0/s1 JGJCMKRVGNTUNF-BALBBAFXSA-N 50372248 CHEMBL258315 Beta-secretase 1 Homo sapiens 942 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11618935 160851349 CHEMBL258315 ZINC29129974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209262 N=C(NC1CCCCC1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 InChI=1S/C29H38N4O/c30-28(31-24-9-5-2-6-10-24)32-27(34)19-33-25(23-7-3-1-4-8-23)11-12-26(33)29-16-20-13-21(17-29)15-22(14-20)18-29/h1,3-4,7-8,11-12,20-22,24H,2,5-6,9-10,13-19H2,(H3,30,31,32,34) YBCLWSRJAKSWNB-UHFFFAOYSA-N 50372244 CHEMBL404256 Beta-secretase 1 Homo sapiens 7200 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455733 160851345 CHEMBL404256 ZINC29129805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209198 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1cccs1 InChI=1S/C27H27ClN4O2S/c1-2-15-34-20-11-9-19(10-12-20)24-13-14-25(22-7-3-4-8-23(22)28)32(24)18-26(33)31-27(29)30-17-21-6-5-16-35-21/h3-14,16H,2,15,17-18H2,1H3,(H3,29,30,31,33) JEDRXQCLZUSTOS-UHFFFAOYSA-N 50372260 CHEMBL270154 Beta-secretase 1 Homo sapiens 752 ChEMBL 10.1016/j.bmcl.2007.11.043 10.7270/Q27S7PK8 18068983 Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455861 160851361 CHEMBL270154 ZINC29130195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211446 COc1cc(O)ccc1[C@@H]1CC(=O)c2c(O)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1 InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-20(28)12-21(29)25-22(30)13-24(32-26(19)25)18-9-8-17(27)11-23(18)31-5/h6,8-9,11-12,16,24,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,24+/m1/s1 YLTPWCZXKJSORQ-GYCJOSAFSA-N 50377946 LEACHIANONE A Beta-secretase 1 Homo sapiens 8400 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44593449 160857029 66559 ZINC14711612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211447 COc1cc(O)ccc1[C@@H]1CC(=O)c2c(OC)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1 InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1 KTAQQSUPNZAWEY-OSPHWJPCSA-N 50377944 CHEMBL496451 Beta-secretase 1 Homo sapiens 6700 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11982641 160857027 66151 CHEMBL496451 ZINC14711635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211448 CC(=C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1O InChI=1S/C25H30O6/c1-14(2)15(9-10-25(3,4)30)11-17-19(27)12-20(28)23-21(29)13-22(31-24(17)23)16-7-5-6-8-18(16)26/h5-8,12,15,22,26-28,30H,1,9-11,13H2,2-4H3/t15-,22+/m1/s1 PMFICSJNAUBMIQ-QRQCRPRQSA-N 50377947 KUSHENOL T Beta-secretase 1 Homo sapiens 36800 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44563122 160857030 ZINC40423253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211449 CC(C)=CC[C@H](Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1O)C(C)=C InChI=1S/C25H28O5/c1-14(2)9-10-16(15(3)4)11-18-20(27)12-21(28)24-22(29)13-23(30-25(18)24)17-7-5-6-8-19(17)26/h5-9,12,16,23,26-28H,3,10-11,13H2,1-2,4H3/t16-,23+/m1/s1 OGBMVWVBHWHRGD-MWTRTKDXSA-N 50377945 KUSHENOL A Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44563121 160857028 ZINC33832185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211450 COc1cc(O)c(CC(CC=C(C)C)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16?,23-/m0/s1 LTTQKYMNTNISSZ-KESSSICBSA-N 50208612 (-)-kurarinone::(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-(prop-1-en-2-yl)hex-4-enyl)chroman-4-one::CHEMBL243796::kurarinone Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10812923 104085635 CHEMBL243796 ZINC14711632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215904 CN1C(N)=N[C@@](C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t18-/m1/s1 SZDQNTKTWBPIBH-GOSISDBHSA-N 50379914 CHEMBL2011965 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388465 160858997 CHEMBL2011965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215905 COc1ccc(cc1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-8-4-3-5-9-18)19-10-6-7-17(15-19)16-11-13-20(28-2)14-12-16/h3-15H,1-2H3,(H2,24,25) SUSACZGFHZKCNH-UHFFFAOYSA-N 50379884 CHEMBL2011968 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57844902 160858967 CHEMBL2011968 ZINC84604225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215906 CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)C1CC1 InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)/t21-/m1/s1 HORHMTMHXZJNQJ-OAQYLSRUSA-N 50379915 CHEMBL2012070 Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57404339 160858998 CHEMBL2012070 ZINC43206772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215907 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)c1ccccn1 InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,18-10-2-3-11-24-18)16-8-4-6-14(12-16)15-7-5-9-17(22)13-15/h2-13H,1H3,(H2,23,25) GEFNKCOBIWZLQI-UHFFFAOYSA-N 50379908 CHEMBL2011994 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262346 160858991 CHEMBL2011994 ZINC84605141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215908 COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25) LRYKHTDVFXMHEH-UHFFFAOYSA-N 50379882 CHEMBL2011967 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11581511 160858965 CHEMBL2011967 ZINC35859018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215909 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(F)c1 InChI=1S/C16H14FN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19) XEZWCKXEXWXVTI-UHFFFAOYSA-N 50379886 CHEMBL2011970 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70683157 160858969 CHEMBL2011970 ZINC84604233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215910 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)C1(C)CC1 InChI=1S/C20H20ClN3O/c1-19(9-10-19)20(17(25)24(2)18(22)23-20)15-7-3-5-13(11-15)14-6-4-8-16(21)12-14/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23) JIJODFBAJRFDGM-UHFFFAOYSA-N 50379906 CHEMBL2011992 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388490 160858989 CHEMBL2011992 ZINC84605133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215928 CCOc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O2/c1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24/h4-16H,3H2,1-2H3,(H2,25,26) RSZKDIKHNMINHT-UHFFFAOYSA-N 50379885 CHEMBL2011969 Beta-secretase 1 Homo sapiens 460 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25063486 160858968 CHEMBL2011969 ZINC84604229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216976 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(C)=O InChI=1S/C27H37FN2O4S/c1-6-20-10-19(13-23(28)25(20)30-17(2)31)11-21-15-35(33,34)16-24(26(21)32)29-14-18-8-7-9-22(12-18)27(3,4)5/h7-10,12-13,21,24,26,29,32H,6,11,14-16H2,1-5H3,(H,30,31)/t21-,24+,26+/m1/s1 MJXQUEMDNFSOMU-DSBYRVASSA-N 50386490 CHEMBL2047905 Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387581 160865573 CHEMBL2047905 ZINC84654028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216978 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(=O)CN(C)C InChI=1S/C29H42FN3O4S/c1-7-21-11-20(14-24(30)27(21)32-26(34)16-33(5)6)12-22-17-38(36,37)18-25(28(22)35)31-15-19-9-8-10-23(13-19)29(2,3)4/h8-11,13-14,22,25,28,31,35H,7,12,15-18H2,1-6H3,(H,32,34)/t22-,25+,28+/m1/s1 VCWNSMCBQGSOIZ-ATILKMQGSA-N 50386491 CHEMBL2047906 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624171 160865574 CHEMBL2047906 ZINC84654029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216982 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(CCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H34F4N2O3S/c1-25(2,3)20-6-4-5-16(11-20)13-32-22-15-36(34,35)14-19(24(22)33)10-17-9-18(7-8-26(28,29)30)23(31)21(27)12-17/h4-6,9,11-12,19,22,24,32-33H,7-8,10,13-15,31H2,1-3H3/t19-,22+,24+/m1/s1 ZQEYWHUMECPRLK-UCFCWBNQSA-N 50386495 CHEMBL2047911 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386302 160865578 CHEMBL2047911 ZINC84653846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216983 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(C[C@H](O)C(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-15(9-19)12-32-21-14-37(35,36)13-18(24(21)34)8-16-7-17(23(31)20(27)10-16)11-22(33)26(28,29)30/h4-7,9-10,18,21-22,24,32-34H,8,11-14,31H2,1-3H3/t18-,21+,22+,24+/m1/s1 GCVKLIOGBJALOK-VPJOFFEXSA-N 50386496 CHEMBL2047912 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BXQ 4D88 44625098 160865579 CHEMBL2047912 ZINC84653847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216991 CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C26H37FN2O4S/c1-5-9-33-23-13-18(12-21(27)24(23)28)10-19-15-34(31,32)16-22(25(19)30)29-14-17-7-6-8-20(11-17)26(2,3)4/h6-8,11-13,19,22,25,29-30H,5,9-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1 YVVYDXSFDQXZJS-WPWBMXPQSA-N 50386501 CHEMBL2048038 Beta-secretase 1 Homo sapiens 424 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25195988 160865584 CHEMBL2048038 ZINC59048665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216994 CCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N InChI=1S/C25H35FN2O4S/c1-5-32-22-12-17(11-20(26)23(22)27)9-18-14-33(30,31)15-21(24(18)29)28-13-16-7-6-8-19(10-16)25(2,3)4/h6-8,10-12,18,21,24,28-29H,5,9,13-15,27H2,1-4H3/t18-,21+,24+/m1/s1 QNARTEMYCRFHBN-ZHRMCQFGSA-N 50386502 CHEMBL2048039 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387582 160865585 CHEMBL2048039 ZINC84670197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216996 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1 InChI=1S/C27H37FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-22(28)25(29)24(13-18)34-21-8-5-9-21/h4,6-7,11-13,19,21,23,26,30-31H,5,8-10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1 SFTUXQRUOWDWQS-BLFHIAQRSA-N 50386503 CHEMBL2048040 Beta-secretase 1 Homo sapiens 215 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25196089 160865586 CHEMBL2048040 ZINC59048967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216998 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1 InChI=1S/C26H35FN2O5S/c1-26(2,3)19-6-4-5-16(8-19)11-29-22-15-35(31,32)14-18(25(22)30)7-17-9-21(27)24(28)23(10-17)34-20-12-33-13-20/h4-6,8-10,18,20,22,25,29-30H,7,11-15,28H2,1-3H3/t18-,22+,25+/m1/s1 SDEDNCZAWZKEDI-MOADCYBESA-N 50386504 CHEMBL2048041 Beta-secretase 1 Homo sapiens 118 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624238 160865587 CHEMBL2048041 ZINC84669482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216999 CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)c1 InChI=1S/C26H37NO4S/c1-5-12-31-23-11-7-8-19(15-23)13-21-17-32(29,30)18-24(25(21)28)27-16-20-9-6-10-22(14-20)26(2,3)4/h6-11,14-15,21,24-25,27-28H,5,12-13,16-18H2,1-4H3/t21-,24+,25+/m1/s1 STRMYUPQAIUGMK-ZODMCCGTSA-N 50386499 CHEMBL2047914 Beta-secretase 1 Homo sapiens 4450 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57386304 160865582 CHEMBL2047914 ZINC84670376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217003 CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)ccc1N InChI=1S/C26H38N2O4S/c1-5-11-32-24-14-18(9-10-22(24)27)12-20-16-33(30,31)17-23(25(20)29)28-15-19-7-6-8-21(13-19)26(2,3)4/h6-10,13-14,20,23,25,28-29H,5,11-12,15-17,27H2,1-4H3/t20-,23+,25+/m1/s1 UREAOAWEVOXGBP-PBXXJUDPSA-N 50386517 CHEMBL2047915 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387318 160865600 CHEMBL2047915 ZINC84653851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217004 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 InChI=1S/C25H33F3N2O4S/c1-24(2,3)19-6-4-5-17(10-19)12-30-21-14-35(32,33)13-18(23(21)31)9-16-7-8-20(29)22(11-16)34-15-25(26,27)28/h4-8,10-11,18,21,23,30-31H,9,12-15,29H2,1-3H3/t18-,21+,23+/m1/s1 VOALVXSOIZPBFI-JZWVFAODSA-N 50386500 CHEMBL2048037 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387319 160865583 CHEMBL2048037 ZINC84669401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217011 CO[C@@H](Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F InChI=1S/C27H36F4N2O4S/c1-26(2,3)20-7-5-6-16(10-20)13-33-22-15-38(35,36)14-19(25(22)34)9-17-8-18(24(32)21(28)11-17)12-23(37-4)27(29,30)31/h5-8,10-11,19,22-23,25,33-34H,9,12-15,32H2,1-4H3/t19-,22+,23+,25+/m1/s1 ODSVQQSZOQPNMO-SXPAWZJZSA-N 50386497 CHEMBL2047913 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1021/jm300069y 10.7270/Q2P55PJW 22380629 Rueeger, H; Lueoend, R; Rogel, O; Rondeau, JM; Mobitz, H; Machauer, R; Jacobson, L; Staufenbiel, M; Desrayaud, S; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44624107 160865580 CHEMBL2047913 ZINC84670375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219259 CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccc3ccccc3c2)cc1 InChI=1S/C29H28N2O3/c1-22(32)27-11-5-6-12-28(27)30-29(33)24-13-15-26(16-14-24)34-20-8-2-7-18-31-19-17-23-9-3-4-10-25(23)21-31/h3-6,9-17,19,21H,2,7-8,18,20H2,1H3/p+1 PCYHMPUHDXUXAI-UHFFFAOYSA-O 50394449 CHEMBL2159660 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2012.09.016 10.7270/Q2ZW1N1Z 23041347 Peng, DY; Sun, Q; Zhu, XL; Lin, HY; Chen, Q; Yu, NX; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456804 163343473 CHEMBL2159660 ZINC95564929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219260 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 VFLDPWHFBUODDF-UHFFFAOYSA-N 50067040 ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)::(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one::(1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one::CHEMBL116438::cid_5281767::curcumin I::curcumine::curcurmin::diferuloylmethane Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1016/j.bmc.2012.09.016 10.7270/Q2ZW1N1Z 23041347 Peng, DY; Sun, Q; Zhu, XL; Lin, HY; Chen, Q; Yu, NX; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CC9 6HDR 969516 103961572 CHEMBL116438 ZINC00899824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219261 CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccc3ccccc3c2)cc1 InChI=1S/C30H30N2O3/c1-23(33)28-12-6-7-13-29(28)31-30(34)25-14-16-27(17-15-25)35-21-9-3-2-8-19-32-20-18-24-10-4-5-11-26(24)22-32/h4-7,10-18,20,22H,2-3,8-9,19,21H2,1H3/p+1 VFVFKDIOJANRFP-UHFFFAOYSA-O 50394448 CHEMBL2159661 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2012.09.016 10.7270/Q2ZW1N1Z 23041347 Peng, DY; Sun, Q; Zhu, XL; Lin, HY; Chen, Q; Yu, NX; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456806 163343472 CHEMBL2159661 ZINC95564930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219262 CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1 InChI=1S/C29H28N2O3/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31/h3-6,9-18,20H,2,7-8,19,21H2,1H3/p+1 UWVBEFKASHWVFN-UHFFFAOYSA-O 50394447 CHEMBL2159662 Beta-secretase 1 Homo sapiens 85000 ChEMBL 10.1016/j.bmc.2012.09.016 10.7270/Q2ZW1N1Z 23041347 Peng, DY; Sun, Q; Zhu, XL; Lin, HY; Chen, Q; Yu, NX; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453298 163343471 CHEMBL2159662 ZINC95564931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219263 CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccccc2)cc1 InChI=1S/C25H26N2O3/c1-20(28)23-10-4-5-11-24(23)26-25(29)21-12-14-22(15-13-21)30-19-9-3-8-18-27-16-6-2-7-17-27/h2,4-7,10-17H,3,8-9,18-19H2,1H3/p+1 PJYMLMVYIDERGB-UHFFFAOYSA-O 50394446 CHEMBL2159663 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmc.2012.09.016 10.7270/Q2ZW1N1Z 23041347 Peng, DY; Sun, Q; Zhu, XL; Lin, HY; Chen, Q; Yu, NX; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451474 163343470 CHEMBL2159663 ZINC95564932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220340 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1 MRXBCEQZNKUUIP-DEOSSOPVSA-N 50398264 CHEMBL2177913 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32D 4B05 46202416 163347288 CHEMBL2177913 ZINC68205977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220344 COc1cc(ccn1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C24H18FN5O/c1-31-21-11-18(8-9-29-21)24(19-6-3-7-20(25)22(19)23(26)30-24)17-5-2-4-15(10-17)16-12-27-14-28-13-16/h2-14H,1H3,(H2,26,30) OJAQXSAISVSZNQ-UHFFFAOYSA-N 50398274 CHEMBL2177911 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206977 163347298 CHEMBL2177911 ZINC95573370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220345 NC1=NC(c2cccc(F)c12)(c1ccnc(c1)C1CC1)c1cccc(c1)-c1cncnc1 InChI=1S/C26H20FN5/c27-22-6-2-5-21-24(22)25(28)32-26(21,20-9-10-31-23(12-20)16-7-8-16)19-4-1-3-17(11-19)18-13-29-15-30-14-18/h1-6,9-16H,7-8H2,(H2,28,32) HLZIYZMSCOXBTI-UHFFFAOYSA-N 50398275 CHEMBL2177113 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46202081 163347299 CHEMBL2177113 ZINC95577003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220346 COc1ccc(cc1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C25H19FN4O/c1-31-20-10-8-18(9-11-20)25(21-6-3-7-22(26)23(21)24(27)30-25)19-5-2-4-16(12-19)17-13-28-15-29-14-17/h2-15H,1H3,(H2,27,30) SMSWJWMOZMPDKT-UHFFFAOYSA-N 50398272 CHEMBL2177916 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46206296 163347296 CHEMBL2177916 ZINC95574464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220351 CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(N)c2c1cccc2F)c1ccnc(c1)C(F)F InChI=1S/C28H19F3N4/c1-2-5-17-12-19(16-33-15-17)18-6-3-7-20(13-18)28(21-10-11-34-24(14-21)26(30)31)22-8-4-9-23(29)25(22)27(32)35-28/h3-4,6-16,26H,1H3,(H2,32,35) JHBVXZXFCJIAJZ-UHFFFAOYSA-N 50398273 CHEMBL2177915 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457147 163347297 CHEMBL2177915 ZINC95573933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220354 NC1=N[C@@](c2cc(F)cc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H15F4N5/c25-17-8-18-21(19(26)9-17)23(29)33-24(18,16-4-5-32-20(7-16)22(27)28)15-3-1-2-13(6-15)14-10-30-12-31-11-14/h1-12,22H,(H2,29,33)/t24-/m0/s1 XCGKBIOLPVAHCG-DEOSSOPVSA-N 50398263 CHEMBL2177914 Beta-secretase 1 Homo sapiens 8.6 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451832 163347287 CHEMBL2177914 ZINC95573460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220356 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1 MRXBCEQZNKUUIP-DEOSSOPVSA-N 50398264 CHEMBL2177913 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32D 4B05 46202416 163347288 CHEMBL2177913 ZINC68205977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220360 Cc1cc(cn(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C25H20FN5O/c1-15-9-19(13-31(2)24(15)32)25(20-7-4-8-21(26)22(20)23(27)30-25)18-6-3-5-16(10-18)17-11-28-14-29-12-17/h3-14H,1-2H3,(H2,27,30) PWBMZGIIIRTNKV-UHFFFAOYSA-N 50398261 CHEMBL2177919 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57406911 163347285 CHEMBL2177919 ZINC95577644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220363 COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C27H20FN5O/c1-16-9-21(11-18(12-29)25(16)34-2)27(22-7-4-8-23(28)24(22)26(30)33-27)20-6-3-5-17(10-20)19-13-31-15-32-14-19/h3-11,13-15H,1-2H3,(H2,30,33) YFSROEJZFCNGBG-UHFFFAOYSA-N 50398271 CHEMBL2177918 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46203391 163347295 CHEMBL2177918 ZINC68205986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220383 COc1c(C)cc(nc1C)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 InChI=1S/C26H22FN5O/c1-15-10-22(31-16(2)24(15)33-3)26(20-8-5-9-21(27)23(20)25(28)32-26)19-7-4-6-17(11-19)18-12-29-14-30-13-18/h4-14H,1-3H3,(H2,28,32) DJUIWDIVXGOXBA-UHFFFAOYSA-N 50398262 CHEMBL2177917 Beta-secretase 1 Homo sapiens 2.9 ChEMBL 10.1021/jm3009025 10.7270/Q2WW7JTP 22924815 Swahn, BM; Kolmodin, K; Karlstrom, S; von Berg, S; Soderman, P; Holenz, J; Berg, S; Lindstrom, J; Sundstrom, M; Turek, D; Kihlstrom, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjall, S; Georgievska, B; Jeppsson, F; Falting, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46202743 163347286 CHEMBL2177917 ZINC68205983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220391 NC1=N[C@](CO1)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C21H16F3N3O2/c22-18-17(5-2-10-26-18)13-3-1-4-15(11-13)21(12-28-20(25)27-21)14-6-8-16(9-7-14)29-19(23)24/h1-11,19H,12H2,(H2,25,27)/t21-/m1/s1 ZRSKBWQUUIETSK-OAQYLSRUSA-N 50398300 CHEMBL2177316 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451795 163347324 CHEMBL2177316 ZINC95577624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220392 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1ccc(F)nc1 InChI=1S/C21H18FN3O2/c1-26-18-8-6-16(7-9-18)21(13-27-20(23)25-21)17-4-2-3-14(11-17)15-5-10-19(22)24-12-15/h2-12H,13H2,1H3,(H2,23,25) RFRRGWXFYJGVKX-UHFFFAOYSA-N 50398317 CHEMBL2177314 Beta-secretase 1 Homo sapiens 8300 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57825146 163347341 CHEMBL2177314 ZINC95576975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220393 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccnc1F InChI=1S/C21H18FN3O2/c1-26-17-9-7-15(8-10-17)21(13-27-20(23)25-21)16-5-2-4-14(12-16)18-6-3-11-24-19(18)22/h2-12H,13H2,1H3,(H2,23,25) WCJQDRXUNINKDD-UHFFFAOYSA-N 50398285 CHEMBL2177315 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWA 4FRI 44193304 163347309 CHEMBL2177315 ZINC95573261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220394 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H19N3O2/c1-25-19-9-7-17(8-10-19)21(14-26-20(22)24-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24) PKJHAIURSFBSII-UHFFFAOYSA-N 50398316 CHEMBL2177312 Beta-secretase 1 Homo sapiens 5500 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57825223 163347340 CHEMBL2177312 ZINC95573486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220395 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C20H18N4O2/c1-25-18-7-5-16(6-8-18)20(12-26-19(21)24-20)17-4-2-3-14(9-17)15-10-22-13-23-11-15/h2-11,13H,12H2,1H3,(H2,21,24) KUSOYGILTFFDRU-UHFFFAOYSA-N 50398315 CHEMBL2177313 Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57825229 163347339 CHEMBL2177313 ZINC95579802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220396 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cc(Cl)ccc1F InChI=1S/C22H18ClFN2O2/c1-27-18-8-5-15(6-9-18)22(13-28-21(25)26-22)16-4-2-3-14(11-16)19-12-17(23)7-10-20(19)24/h2-12H,13H2,1H3,(H2,25,26) UUWQNWDGYVGXQT-UHFFFAOYSA-N 50398297 CHEMBL2177310 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44193111 163347321 CHEMBL2177310 ZINC95576948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220397 NC1=N[C@](CO1)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C21H16F3N3O2/c22-18-17(5-2-10-26-18)13-3-1-4-15(11-13)21(12-28-20(25)27-21)14-6-8-16(9-7-14)29-19(23)24/h1-11,19H,12H2,(H2,25,27)/t21-/m1/s1 ZRSKBWQUUIETSK-OAQYLSRUSA-N 50398300 CHEMBL2177316 Beta-secretase 1 Homo sapiens 1210 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451795 163347324 CHEMBL2177316 ZINC95577624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220398 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C22H19ClN2O2/c1-26-20-10-8-17(9-11-20)22(14-27-21(24)25-22)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h2-13H,14H2,1H3,(H2,24,25) METABQXTPBWILS-UHFFFAOYSA-N 50398295 CHEMBL2177311 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44193108 163347319 CHEMBL2177311 ZINC95575815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220399 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccnc1F InChI=1S/C21H18FN3O2/c1-26-17-9-7-15(8-10-17)21(13-27-20(23)25-21)16-5-2-4-14(12-16)18-6-3-11-24-19(18)22/h2-12H,13H2,1H3,(H2,23,25) WCJQDRXUNINKDD-UHFFFAOYSA-N 50398285 CHEMBL2177315 Beta-secretase 1 Homo sapiens 2850 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWA 4FRI 44193304 163347309 CHEMBL2177315 ZINC95573261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220400 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1ccc(F)nc1 InChI=1S/C21H18FN3O2/c1-26-18-8-6-16(7-9-18)21(13-27-20(23)25-21)17-4-2-3-14(11-17)15-5-10-19(22)24-12-15/h2-12H,13H2,1H3,(H2,23,25) RFRRGWXFYJGVKX-UHFFFAOYSA-N 50398317 CHEMBL2177314 Beta-secretase 1 Homo sapiens 8200 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57825146 163347341 CHEMBL2177314 ZINC95576975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220401 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C20H18N4O2/c1-25-18-7-5-16(6-8-18)20(12-26-19(21)24-20)17-4-2-3-14(9-17)15-10-22-13-23-11-15/h2-11,13H,12H2,1H3,(H2,21,24) KUSOYGILTFFDRU-UHFFFAOYSA-N 50398315 CHEMBL2177313 Beta-secretase 1 Homo sapiens 11400 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57825229 163347339 CHEMBL2177313 ZINC95579802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220402 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H19N3O2/c1-25-19-9-7-17(8-10-19)21(14-26-20(22)24-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24) PKJHAIURSFBSII-UHFFFAOYSA-N 50398316 CHEMBL2177312 Beta-secretase 1 Homo sapiens 7460 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57825223 163347340 CHEMBL2177312 ZINC95573486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220403 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C22H19ClN2O2/c1-26-20-10-8-17(9-11-20)22(14-27-21(24)25-22)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h2-13H,14H2,1H3,(H2,24,25) METABQXTPBWILS-UHFFFAOYSA-N 50398295 CHEMBL2177311 Beta-secretase 1 Homo sapiens 2060 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44193108 163347319 CHEMBL2177311 ZINC95575815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220404 COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cc(Cl)ccc1F InChI=1S/C22H18ClFN2O2/c1-27-18-8-5-15(6-9-18)22(13-28-21(25)26-22)16-4-2-3-14(11-16)19-12-17(23)7-10-20(19)24/h2-12H,13H2,1H3,(H2,25,26) UUWQNWDGYVGXQT-UHFFFAOYSA-N 50398297 CHEMBL2177310 Beta-secretase 1 Homo sapiens 1950 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44193111 163347321 CHEMBL2177310 ZINC95576948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220405 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(C)c1 InChI=1S/C23H20N2O3/c1-14-4-3-5-15(10-14)16-6-8-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)7-9-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25) NWMFBKUHCMUGKM-UHFFFAOYSA-N 50398301 CHEMBL2177322 Beta-secretase 1 Homo sapiens 1670 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246553 163347325 CHEMBL2177322 ZINC95577968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220406 CC(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 InChI=1S/C27H37N3O3/c1-18(2)12-21-13-22-24(15-27(10-7-11-27)33-26(22)29-16-21)28-17-25(32)23(30-19(3)31)14-20-8-5-4-6-9-20/h4-6,8-9,13,16,18,23-25,28,32H,7,10-12,14-15,17H2,1-3H3,(H,30,31)/t23-,24-,25+/m0/s1 VTQUDYRMABZDOU-CCDWMCETSA-N 50398312 CHEMBL2177107 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68691806 163347336 CHEMBL2177107 ZINC95578224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220407 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1C InChI=1S/C23H20N2O3/c1-14-5-3-4-6-17(14)15-7-9-20-18(11-15)23(13-27-22(24)25-23)19-12-16(26-2)8-10-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25) OLAQBZBKMOPUOH-UHFFFAOYSA-N 50398318 CHEMBL2177321 Beta-secretase 1 Homo sapiens 7020 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67247849 163347342 CHEMBL2177321 ZINC95579828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220408 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1 InChI=1S/C22H18N2O3/c1-25-16-8-10-20-18(12-16)22(13-26-21(23)24-22)17-11-15(7-9-19(17)27-20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,23,24) GOFHXNZNUWXPRS-UHFFFAOYSA-N 50398288 CHEMBL2177320 Beta-secretase 1 Homo sapiens 1180 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458988 163347312 CHEMBL2177320 ZINC95580362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220409 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc12 InChI=1S/C23H29N3O3/c1-16(27)26-19(13-17-7-3-2-4-8-17)21(28)15-25-20-14-23(10-6-11-23)29-22-18(20)9-5-12-24-22/h2-5,7-9,12,19-21,25,28H,6,10-11,13-15H2,1H3,(H,26,27)/t19-,20-,21+/m0/s1 KXWWMQRXUZFAKE-PCCBWWKXSA-N 50398305 CHEMBL2177319 Beta-secretase 1 Homo sapiens 5280 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451796 163347329 CHEMBL2177319 ZINC95572244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209332 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 FOEYBHHGUJYFBZ-WBAQKLHDSA-N 50157439 3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid::3-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-benzoic acid::CHEMBL183494 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2008.01.058 10.7270/Q2PV6M6V 18249539 Hamada, Y; Abdel-Rahman, H; Yamani, A; Nguyen, JT; Stochaj, M; Hidaka, K; Kimura, T; Hayashi, Y; Saito, K; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918784 104044434 CHEMBL183494 ZINC03986720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209333 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2008.01.058 10.7270/Q2PV6M6V 18249539 Hamada, Y; Abdel-Rahman, H; Yamani, A; Nguyen, JT; Stochaj, M; Hidaka, K; Kimura, T; Hayashi, Y; Saito, K; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209334 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NS(=O)(=O)C(F)(F)F InChI=1S/C27H39F3N10O8S/c1-13(2)10-18(34-24(44)19(14(3)4)35-22(42)16(31)12-32-26(46)21-36-39-40-37-21)23(43)33-17(11-15-8-6-5-7-9-15)20(41)25(45)38-49(47,48)27(28,29)30/h5-9,13-14,16-20,41H,10-12,31H2,1-4H3,(H,32,46)(H,33,43)(H,34,44)(H,35,42)(H,38,45)(H,36,37,39,40)/t16-,17-,18-,19-,20+/m0/s1 YCHWEOLIVGHDAF-VYJAJWGXSA-N 50372559 CHEMBL270172 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2008.01.058 10.7270/Q2PV6M6V 18249539 Hamada, Y; Abdel-Rahman, H; Yamani, A; Nguyen, JT; Stochaj, M; Hidaka, K; Kimura, T; Hayashi, Y; Saito, K; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454662 160851660 CHEMBL270172 ZINC29127830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211451 COc1cc(O)c(CC=C(C)C)c2OC(CC(=O)c12)c1ccc(O)cc1 InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3 YKGCBLWILMDSAV-UHFFFAOYSA-N 50252521 CHEMBL492828::isoxanthohumol Beta-secretase 1 Homo sapiens 27700 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 513197 104105314 CHEMBL492828 ZINC03637160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211452 COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O InChI=1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-20(29)12-23(32-5)24-21(30)13-22(33-25(18)24)17-7-6-16(27)11-19(17)28/h6-7,11-12,15,22,27-29,31H,1,8-10,13H2,2-5H3/t15-,22+/m1/s1 XMUPAAIHKAIUSU-QRQCRPRQSA-N 50366788 KURARINOL Beta-secretase 1 Homo sapiens 39200 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44563198 160845890 C17444 ZINC13817026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50211453 CC(C)=CC[C@H](Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1O)C(C)=C InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15-,23+/m1/s1 XRYVAQQLDYTHCL-CMJOXMDJSA-N 50208611 (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one::CHEMBL243148::sophoraflavanone G Beta-secretase 1 Homo sapiens 5200 ChEMBL 10.1016/j.bmc.2008.05.080 10.7270/Q2HT2Q74 18565755 Hwang, EM; Ryu, YB; Kim, HY; Kim, DG; Hong, SG; Lee, JH; Curtis-Long, MJ; Jeong, SH; Park, JY; Park, KH Gyeongsang National University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72936 104085634 50209 CHEMBL243148 C18053 ZINC02008850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215937 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22) SZDQNTKTWBPIBH-UHFFFAOYSA-N 50379913 CHEMBL2012069 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11566309 160858996 CHEMBL2012069 ZINC35825062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215938 CN1C(N)=NC(CC2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,12-13-8-9-13)16-6-2-4-14(10-16)15-5-3-7-17(21)11-15/h2-7,10-11,13H,8-9,12H2,1H3,(H2,22,23) PKPHSCAXKJAHAV-UHFFFAOYSA-N 50379907 CHEMBL2011993 Beta-secretase 1 Homo sapiens 9500 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387607 160858990 CHEMBL2011993 ZINC84605136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215941 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)C#N InChI=1S/C17H14N4O/c1-21-15(22)17(20-16(21)19,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-18/h2-10H,1H3,(H2,19,20) OYLIDUDLEDFVAK-UHFFFAOYSA-N 50379888 CHEMBL2011972 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70685235 160858971 CHEMBL2011972 ZINC84604240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215968 CN1C(N)=NC(C2CCCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C21H22ClN3O/c1-25-19(26)21(24-20(25)23,16-8-2-3-9-16)17-10-4-6-14(12-17)15-7-5-11-18(22)13-15/h4-7,10-13,16H,2-3,8-9H2,1H3,(H2,23,24) TYMVGXIPQGTWEX-UHFFFAOYSA-N 50379904 CHEMBL2011990 Beta-secretase 1 Homo sapiens 6900 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262361 160858987 CHEMBL2011990 ZINC84604815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215972 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(C)c1 InChI=1S/C17H17N3O/c1-12-7-6-10-14(11-12)17(13-8-4-3-5-9-13)15(21)20(2)16(18)19-17/h3-11H,1-2H3,(H2,18,19) DASNJRUZVNGPCB-UHFFFAOYSA-N 50379887 CHEMBL2011971 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681035 160858970 CHEMBL2011971 ZINC84604236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215978 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C22H24ClN3O/c1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H2,24,25) KQNHFKXHVNOELI-UHFFFAOYSA-N 50379905 CHEMBL2011991 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387534 160858988 CHEMBL2011991 ZINC84605129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215980 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24) PNSQCPQDRVOKMA-UHFFFAOYSA-N 50379890 CHEMBL2011974 Beta-secretase 1 Homo sapiens 530 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11359820 160858973 CHEMBL2011974 ZINC34503928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215985 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C19H18ClN3O/c1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13/h2-7,10-11,14H,8-9H2,1H3,(H2,21,22) BMNNJCHHHVKNJT-UHFFFAOYSA-N 50379902 CHEMBL2011988 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262540 160858985 CHEMBL2011988 ZINC84597095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215993 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccccn1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,16-9-3-2-4-10-16)17-11-7-8-15(14-17)18-12-5-6-13-23-18/h2-14H,1H3,(H2,22,24) UDZQRBBAQQTCHO-UHFFFAOYSA-N 50379889 CHEMBL2011973 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388715 160858972 CHEMBL2011973 ZINC84604244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215995 CN1C(N)=NC(C2CCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23) VZGLDYSDFDRZHL-UHFFFAOYSA-N 50379903 CHEMBL2011989 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262444 160858986 CHEMBL2011989 ZINC84597097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215997 CN1C(N)=NC(C1=O)(c1cccnc1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25) PNFYDRRJPSSMRN-UHFFFAOYSA-N 50379871 CHEMBL2011995 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262424 160858954 CHEMBL2011995 ZINC84605144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215998 CN1C(N)=NC(C1=O)(c1cncnc1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14/h2-12H,1H3,(H2,22,25) IVSABKDCMZRDBN-UHFFFAOYSA-N 50379873 CHEMBL2011997 Beta-secretase 1 Homo sapiens 830 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262316 160858956 CHEMBL2011997 ZINC84597051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50215999 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25) WQDRKRNUWIGAKB-UHFFFAOYSA-N 50379909 CHEMBL2011996 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388772 160858992 CHEMBL2011996 ZINC84605148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216000 CN1C(N)=NC(C1=O)(c1nccs1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C19H15ClN4OS/c1-24-17(25)19(23-18(24)21,16-22-8-9-26-16)14-6-2-4-12(10-14)13-5-3-7-15(20)11-13/h2-11H,1H3,(H2,21,23) FGZNPKRHPSRWAL-UHFFFAOYSA-N 50379911 CHEMBL2011999 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387748 160858994 CHEMBL2011999 ZINC84601996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216001 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)c1ncccn1 InChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,17-23-9-4-10-24-17)15-7-2-5-13(11-15)14-6-3-8-16(21)12-14/h2-12H,1H3,(H2,22,25) HMRWGTILKDLNSD-UHFFFAOYSA-N 50379910 CHEMBL2011998 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388662 160858993 CHEMBL2011998 ZINC84597215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216002 COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22) NCNMSGOJBLVCOM-UHFFFAOYSA-N 50379880 CHEMBL2012001 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262421 160858963 CHEMBL2012001 ZINC84602004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216003 CN1C(N)=N[C@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1 PNSQCPQDRVOKMA-OAQYLSRUSA-N 50379898 CHEMBL2011983 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KP 4DJW 70685236 160858981 CHEMBL2011983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216004 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23) JOMOYZHFIMBZBT-UHFFFAOYSA-N 50379912 CHEMBL2012000 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262464 160858995 CHEMBL2012000 ZINC84602000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216005 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1 InChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21) WPHFNWNNCCSZJG-UHFFFAOYSA-N 50379879 CHEMBL2012003 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262423 160858962 CHEMBL2012003 ZINC84604720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220410 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc12 InChI=1S/C23H28ClN3O3/c1-15(28)27-19(10-16-6-3-2-4-7-16)21(29)14-25-20-12-23(8-5-9-23)30-22-18(20)11-17(24)13-26-22/h2-4,6-7,11,13,19-21,25,29H,5,8-10,12,14H2,1H3,(H,27,28)/t19-,20-,21+/m0/s1 GAJBSPCTRUBDAK-PCCBWWKXSA-N 50398298 CHEMBL2177318 Beta-secretase 1 Homo sapiens 957 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460783 163347322 CHEMBL2177318 ZINC95573428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220411 CCc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 InChI=1S/C25H33N3O3/c1-3-18-12-20-22(14-25(10-7-11-25)31-24(20)27-15-18)26-16-23(30)21(28-17(2)29)13-19-8-5-4-6-9-19/h4-6,8-9,12,15,21-23,26,30H,3,7,10-11,13-14,16H2,1-2H3,(H,28,29)/t21-,22-,23+/m0/s1 MVNAHFXMFHZPRR-RJGXRXQPSA-N 50398309 CHEMBL2177317 Beta-secretase 1 Homo sapiens 91 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457116 163347333 CHEMBL2177317 ZINC95571742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220412 CC(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 InChI=1S/C27H37N3O3/c1-18(2)12-21-13-22-24(15-27(10-7-11-27)33-26(22)29-16-21)28-17-25(32)23(30-19(3)31)14-20-8-5-4-6-9-20/h4-6,8-9,13,16,18,23-25,28,32H,7,10-12,14-15,17H2,1-3H3,(H,30,31)/t23-,24-,25+/m0/s1 VTQUDYRMABZDOU-CCDWMCETSA-N 50398312 CHEMBL2177107 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68691806 163347336 CHEMBL2177107 ZINC95578224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220413 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(C)cc1 InChI=1S/C23H20N2O3/c1-14-3-5-15(6-4-14)16-7-9-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)8-10-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25) XJPGCXFUFOVMHC-UHFFFAOYSA-N 50398299 CHEMBL2177323 Beta-secretase 1 Homo sapiens 3630 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462510 163347323 CHEMBL2177323 ZINC95578692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220414 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1Cl InChI=1S/C22H17ClN2O3/c1-26-14-7-9-20-17(11-14)22(12-27-21(24)25-22)16-10-13(6-8-19(16)28-20)15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H2,24,25) CPTSXKPUIKUWDU-UHFFFAOYSA-N 50398290 CHEMBL2177324 Beta-secretase 1 Homo sapiens 2470 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246237 163347314 CHEMBL2177324 ZINC95576520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220415 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1C InChI=1S/C23H20N2O3/c1-14-5-3-4-6-17(14)15-7-9-20-18(11-15)23(13-27-22(24)25-23)19-12-16(26-2)8-10-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25) OLAQBZBKMOPUOH-UHFFFAOYSA-N 50398318 CHEMBL2177321 Beta-secretase 1 Homo sapiens 4220 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67247849 163347342 CHEMBL2177321 ZINC95579828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220416 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(C)c1 InChI=1S/C23H20N2O3/c1-14-4-3-5-15(10-14)16-6-8-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)7-9-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25) NWMFBKUHCMUGKM-UHFFFAOYSA-N 50398301 CHEMBL2177322 Beta-secretase 1 Homo sapiens 4540 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246553 163347325 CHEMBL2177322 ZINC95577968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220417 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc12 InChI=1S/C23H29N3O3/c1-16(27)26-19(13-17-7-3-2-4-8-17)21(28)15-25-20-14-23(10-6-11-23)29-22-18(20)9-5-12-24-22/h2-5,7-9,12,19-21,25,28H,6,10-11,13-15H2,1H3,(H,26,27)/t19-,20-,21+/m0/s1 KXWWMQRXUZFAKE-PCCBWWKXSA-N 50398305 CHEMBL2177319 Beta-secretase 1 Homo sapiens 804 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451796 163347329 CHEMBL2177319 ZINC95572244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220418 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1 InChI=1S/C22H18N2O3/c1-25-16-8-10-20-18(12-16)22(13-26-21(23)24-22)17-11-15(7-9-19(17)27-20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,23,24) GOFHXNZNUWXPRS-UHFFFAOYSA-N 50398288 CHEMBL2177320 Beta-secretase 1 Homo sapiens 2520 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458988 163347312 CHEMBL2177320 ZINC95580362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220419 CCc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 InChI=1S/C25H33N3O3/c1-3-18-12-20-22(14-25(10-7-11-25)31-24(20)27-15-18)26-16-23(30)21(28-17(2)29)13-19-8-5-4-6-9-19/h4-6,8-9,12,15,21-23,26,30H,3,7,10-11,13-14,16H2,1-2H3,(H,28,29)/t21-,22-,23+/m0/s1 MVNAHFXMFHZPRR-RJGXRXQPSA-N 50398309 CHEMBL2177317 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457116 163347333 CHEMBL2177317 ZINC95571742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220420 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc12 InChI=1S/C23H28ClN3O3/c1-15(28)27-19(10-16-6-3-2-4-7-16)21(29)14-25-20-12-23(8-5-9-23)30-22-18(20)11-17(24)13-26-22/h2-4,6-7,11,13,19-21,25,29H,5,8-10,12,14H2,1H3,(H,27,28)/t19-,20-,21+/m0/s1 GAJBSPCTRUBDAK-PCCBWWKXSA-N 50398298 CHEMBL2177318 Beta-secretase 1 Homo sapiens 1880 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460783 163347322 CHEMBL2177318 ZINC95573428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220421 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 FBJQDUYQPYABBR-CCDWMCETSA-N 50383839 CHEMBL2030997 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0MP 4DUS 60202322 160862922 CHEMBL2030997 ZINC84671119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220422 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1 InChI=1S/C22H17ClN2O3/c1-26-16-6-8-20-18(11-16)22(12-27-21(24)25-22)17-10-14(5-7-19(17)28-20)13-3-2-4-15(23)9-13/h2-11H,12H2,1H3,(H2,24,25) NKHRLQPRZCHQJE-UHFFFAOYSA-N 50398289 CHEMBL2177325 Beta-secretase 1 Homo sapiens 2510 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453618 163347313 CHEMBL2177325 ZINC95576966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220423 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 FBJQDUYQPYABBR-CCDWMCETSA-N 50383839 CHEMBL2030997 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0MP 4DUS 60202322 160862922 CHEMBL2030997 ZINC84671119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220424 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1 InChI=1S/C22H17ClN2O3/c1-26-16-6-8-20-18(11-16)22(12-27-21(24)25-22)17-10-14(5-7-19(17)28-20)13-3-2-4-15(23)9-13/h2-11H,12H2,1H3,(H2,24,25) NKHRLQPRZCHQJE-UHFFFAOYSA-N 50398289 CHEMBL2177325 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453618 163347313 CHEMBL2177325 ZINC95576966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220425 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1Cl InChI=1S/C22H17ClN2O3/c1-26-14-7-9-20-17(11-14)22(12-27-21(24)25-22)16-10-13(6-8-19(16)28-20)15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H2,24,25) CPTSXKPUIKUWDU-UHFFFAOYSA-N 50398290 CHEMBL2177324 Beta-secretase 1 Homo sapiens 4880 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246237 163347314 CHEMBL2177324 ZINC95576520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220426 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(C)cc1 InChI=1S/C23H20N2O3/c1-14-3-5-15(6-4-14)16-7-9-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)8-10-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25) XJPGCXFUFOVMHC-UHFFFAOYSA-N 50398299 CHEMBL2177323 Beta-secretase 1 Homo sapiens 1780 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462510 163347323 CHEMBL2177323 ZINC95578692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220427 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1 InChI=1S/C22H17ClN2O3/c1-26-16-7-9-20-18(11-16)22(12-27-21(24)25-22)17-10-14(4-8-19(17)28-20)13-2-5-15(23)6-3-13/h2-11H,12H2,1H3,(H2,24,25) DXRYFIGXKYTLSD-UHFFFAOYSA-N 50398291 CHEMBL2177326 Beta-secretase 1 Homo sapiens 2420 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453619 163347315 CHEMBL2177326 ZINC95578679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220428 COc1ccc(F)c(c1)-c1ccc2Oc3ccc(OC)cc3C3(COC(N)=N3)c2c1 InChI=1S/C23H19FN2O4/c1-27-14-4-6-19(24)16(10-14)13-3-7-20-17(9-13)23(12-29-22(25)26-23)18-11-15(28-2)5-8-21(18)30-20/h3-11H,12H2,1-2H3,(H2,25,26) MVXQIQQZUNOJEY-UHFFFAOYSA-N 50398306 CHEMBL2177333 Beta-secretase 1 Homo sapiens 740 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256108 163347330 CHEMBL2177333 ZINC95575701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220429 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H17F3N2O4/c1-29-16-7-9-20-18(11-16)22(12-30-21(27)28-22)17-10-14(4-8-19(17)31-20)13-2-5-15(6-3-13)32-23(24,25)26/h2-11H,12H2,1H3,(H2,27,28) BTRULLDBMGKWLY-UHFFFAOYSA-N 50398314 CHEMBL2177327 Beta-secretase 1 Homo sapiens 3690 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67249135 163347338 CHEMBL2177327 ZINC95579849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220430 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC)c1F InChI=1S/C23H19FN2O4/c1-27-14-7-9-19-17(11-14)23(12-29-22(25)26-23)16-10-13(6-8-18(16)30-19)15-4-3-5-20(28-2)21(15)24/h3-11H,12H2,1-2H3,(H2,25,26) NSIJUJTVSFVOSJ-UHFFFAOYSA-N 50398293 CHEMBL2177332 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67247971 163347317 CHEMBL2177332 ZINC95579319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220431 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)ccc1F InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-9-13(23)3-5-18(15)24/h2-10H,11H2,1H3,(H2,25,26) WIRKEQRUHLXVOQ-UHFFFAOYSA-N 50398308 CHEMBL2177331 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWB 4FRJ 71453620 163347332 CHEMBL2177331 ZINC95573358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220432 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1F InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-5-3-13(23)9-18(15)24/h2-10H,11H2,1H3,(H2,25,26) MZAQHZZELBJHGJ-UHFFFAOYSA-N 50398292 CHEMBL2177330 Beta-secretase 1 Homo sapiens 1560 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455340 163347316 CHEMBL2177330 ZINC95575928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220433 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1F InChI=1S/C22H16ClFN2O3/c1-27-13-6-8-19-16(10-13)22(11-28-21(25)26-22)15-9-12(5-7-18(15)29-19)14-3-2-4-17(23)20(14)24/h2-10H,11H2,1H3,(H2,25,26) HPIQWCZVOWLGJL-UHFFFAOYSA-N 50398304 CHEMBL2177329 Beta-secretase 1 Homo sapiens 1170 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246787 163347328 CHEMBL2177329 ZINC95571630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220434 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C23H17F3N2O4/c1-29-15-6-8-20-18(11-15)22(12-30-21(27)28-22)17-10-14(5-7-19(17)31-20)13-3-2-4-16(9-13)32-23(24,25)26/h2-11H,12H2,1H3,(H2,27,28) LHGYIKYEZVLFIW-UHFFFAOYSA-N 50398287 CHEMBL2177328 Beta-secretase 1 Homo sapiens 2760 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246725 163347311 CHEMBL2177328 ZINC95577482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220435 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(OC(F)(F)F)cc1 InChI=1S/C23H17F3N2O4/c1-29-16-7-9-20-18(11-16)22(12-30-21(27)28-22)17-10-14(4-8-19(17)31-20)13-2-5-15(6-3-13)32-23(24,25)26/h2-11H,12H2,1H3,(H2,27,28) BTRULLDBMGKWLY-UHFFFAOYSA-N 50398314 CHEMBL2177327 Beta-secretase 1 Homo sapiens 5060 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67249135 163347338 CHEMBL2177327 ZINC95579849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220436 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1 InChI=1S/C22H17ClN2O3/c1-26-16-7-9-20-18(11-16)22(12-27-21(24)25-22)17-10-14(4-8-19(17)28-20)13-2-5-15(23)6-3-13/h2-11H,12H2,1H3,(H2,24,25) DXRYFIGXKYTLSD-UHFFFAOYSA-N 50398291 CHEMBL2177326 Beta-secretase 1 Homo sapiens 2020 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453619 163347315 CHEMBL2177326 ZINC95578679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220437 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)c(C)cc1F InChI=1S/C23H18ClFN2O3/c1-12-7-19(25)15(10-18(12)24)13-3-5-20-16(8-13)23(11-29-22(26)27-23)17-9-14(28-2)4-6-21(17)30-20/h3-10H,11H2,1-2H3,(H2,26,27) KKLOGTHCFUTDNH-UHFFFAOYSA-N 50398284 CHEMBL2177334 Beta-secretase 1 Homo sapiens 2980 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67248528 163347308 CHEMBL2177334 ZINC95579785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220438 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25) OBYZGFIQLJUGCH-UHFFFAOYSA-N 50398296 CHEMBL2177335 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67248938 163347320 CHEMBL2177335 ZINC95580203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220439 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC)c1F InChI=1S/C23H19FN2O4/c1-27-14-7-9-19-17(11-14)23(12-29-22(25)26-23)16-10-13(6-8-18(16)30-19)15-4-3-5-20(28-2)21(15)24/h3-11H,12H2,1-2H3,(H2,25,26) NSIJUJTVSFVOSJ-UHFFFAOYSA-N 50398293 CHEMBL2177332 Beta-secretase 1 Homo sapiens 2230 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67247971 163347317 CHEMBL2177332 ZINC95579319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220440 COc1ccc(F)c(c1)-c1ccc2Oc3ccc(OC)cc3C3(COC(N)=N3)c2c1 InChI=1S/C23H19FN2O4/c1-27-14-4-6-19(24)16(10-14)13-3-7-20-17(9-13)23(12-29-22(25)26-23)18-11-15(28-2)5-8-21(18)30-20/h3-11H,12H2,1-2H3,(H2,25,26) MVXQIQQZUNOJEY-UHFFFAOYSA-N 50398306 CHEMBL2177333 Beta-secretase 1 Homo sapiens 3720 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256108 163347330 CHEMBL2177333 ZINC95575701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220441 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1F InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-5-3-13(23)9-18(15)24/h2-10H,11H2,1H3,(H2,25,26) MZAQHZZELBJHGJ-UHFFFAOYSA-N 50398292 CHEMBL2177330 Beta-secretase 1 Homo sapiens 2240 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455340 163347316 CHEMBL2177330 ZINC95575928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220442 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)ccc1F InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-9-13(23)3-5-18(15)24/h2-10H,11H2,1H3,(H2,25,26) WIRKEQRUHLXVOQ-UHFFFAOYSA-N 50398308 CHEMBL2177331 Beta-secretase 1 Homo sapiens 4290 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWB 4FRJ 71453620 163347332 CHEMBL2177331 ZINC95573358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220443 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C23H17F3N2O4/c1-29-15-6-8-20-18(11-15)22(12-30-21(27)28-22)17-10-14(5-7-19(17)31-20)13-3-2-4-16(9-13)32-23(24,25)26/h2-11H,12H2,1H3,(H2,27,28) LHGYIKYEZVLFIW-UHFFFAOYSA-N 50398287 CHEMBL2177328 Beta-secretase 1 Homo sapiens 6410 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246725 163347311 CHEMBL2177328 ZINC95577482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220444 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1F InChI=1S/C22H16ClFN2O3/c1-27-13-6-8-19-16(10-13)22(11-28-21(25)26-22)15-9-12(5-7-18(15)29-19)14-3-2-4-17(23)20(14)24/h2-10H,11H2,1H3,(H2,25,26) HPIQWCZVOWLGJL-UHFFFAOYSA-N 50398304 CHEMBL2177329 Beta-secretase 1 Homo sapiens 6750 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67246787 163347328 CHEMBL2177329 ZINC95571630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220445 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25) OBYZGFIQLJUGCH-UHFFFAOYSA-N 50398296 CHEMBL2177335 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67248938 163347320 CHEMBL2177335 ZINC95580203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220446 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)c(C)cc1F InChI=1S/C23H18ClFN2O3/c1-12-7-19(25)15(10-18(12)24)13-3-5-20-16(8-13)23(11-29-22(26)27-23)17-9-14(28-2)4-6-21(17)30-20/h3-10H,11H2,1-2H3,(H2,26,27) KKLOGTHCFUTDNH-UHFFFAOYSA-N 50398284 CHEMBL2177334 Beta-secretase 1 Homo sapiens 3210 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67248528 163347308 CHEMBL2177334 ZINC95579785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220447 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccnc(Cl)c1 InChI=1S/C21H16ClN3O3/c1-26-14-3-5-18-16(10-14)21(11-27-20(23)25-21)15-8-12(2-4-17(15)28-18)13-6-7-24-19(22)9-13/h2-10H,11H2,1H3,(H2,23,25) VAZIEHLSWRALTQ-UHFFFAOYSA-N 50398294 CHEMBL2177337 Beta-secretase 1 Homo sapiens 5800 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455341 163347318 CHEMBL2177337 ZINC95579625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220448 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccncc1 InChI=1S/C21H17N3O3/c1-25-15-3-5-19-17(11-15)21(12-26-20(22)24-21)16-10-14(2-4-18(16)27-19)13-6-8-23-9-7-13/h2-11H,12H2,1H3,(H2,22,24) OLJFMUPYPYNPMT-UHFFFAOYSA-N 50398286 CHEMBL2177338 Beta-secretase 1 Homo sapiens 2820 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449974 163347310 CHEMBL2177338 ZINC95576871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220449 CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 JWSHQJYDXNPIKG-QHCPKHFHSA-N 50398311 CHEMBL2177343 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWD 4FRK 45256294 163347335 CHEMBL2177343 ZINC95571641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220450 CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1 GXLBLAWTCDBEDC-QFIPXVFZSA-N 50398310 CHEMBL2177342 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45255915 163347334 CHEMBL2177342 ZINC95577423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220451 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25) UNEXAFIOVQJXKJ-UHFFFAOYSA-N 50398303 CHEMBL2177336 Beta-secretase 1 Homo sapiens 1330 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449973 163347327 CHEMBL2177336 ZINC95577680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220452 COc1ccc2Oc3ccc(cc3[C@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m1/s1 QZGOMZOGZCMFCJ-HXUWFJFHSA-N 50398313 CHEMBL2177341 Beta-secretase 1 Homo sapiens 10400 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67247796 163347337 CHEMBL2177341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220453 COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1 QZGOMZOGZCMFCJ-FQEVSTJZSA-N 50398307 CHEMBL2177340 Beta-secretase 1 Homo sapiens 107 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256104 163347331 CHEMBL2177340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220454 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24) QZGOMZOGZCMFCJ-UHFFFAOYSA-N 50398302 CHEMBL2177339 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256107 163347326 CHEMBL2177339 ZINC95574439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220455 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccncc1 InChI=1S/C21H17N3O3/c1-25-15-3-5-19-17(11-15)21(12-26-20(22)24-21)16-10-14(2-4-18(16)27-19)13-6-8-23-9-7-13/h2-11H,12H2,1H3,(H2,22,24) OLJFMUPYPYNPMT-UHFFFAOYSA-N 50398286 CHEMBL2177338 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449974 163347310 CHEMBL2177338 ZINC95576871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220456 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1 PSUGQZDSIJNGJX-CCDWMCETSA-N 50392776 CHEMBL2151151 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460183 163341800 CHEMBL2151151 ZINC95572546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220457 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccnc(Cl)c1 InChI=1S/C21H16ClN3O3/c1-26-14-3-5-18-16(10-14)21(11-27-20(23)25-21)15-8-12(2-4-17(15)28-18)13-6-7-24-19(22)9-13/h2-10H,11H2,1H3,(H2,23,25) VAZIEHLSWRALTQ-UHFFFAOYSA-N 50398294 CHEMBL2177337 Beta-secretase 1 Homo sapiens 2110 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455341 163347318 CHEMBL2177337 ZINC95579625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220458 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25) UNEXAFIOVQJXKJ-UHFFFAOYSA-N 50398303 CHEMBL2177336 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449973 163347327 CHEMBL2177336 ZINC95577680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220459 CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 JWSHQJYDXNPIKG-QHCPKHFHSA-N 50398311 CHEMBL2177343 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWD 4FRK 45256294 163347335 CHEMBL2177343 ZINC95571641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220460 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1 PSUGQZDSIJNGJX-CCDWMCETSA-N 50392776 CHEMBL2151151 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460183 163341800 CHEMBL2151151 ZINC95572546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220461 CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1 GXLBLAWTCDBEDC-QFIPXVFZSA-N 50398310 CHEMBL2177342 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45255915 163347334 CHEMBL2177342 ZINC95577423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220462 COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24) QZGOMZOGZCMFCJ-UHFFFAOYSA-N 50398302 CHEMBL2177339 Beta-secretase 1 Homo sapiens 1430 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256107 163347326 CHEMBL2177339 ZINC95574439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220463 COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1 QZGOMZOGZCMFCJ-FQEVSTJZSA-N 50398307 CHEMBL2177340 Beta-secretase 1 Homo sapiens 534 ChEMBL 10.1021/jm300598e 10.7270/Q2S46T3P 22928914 Huang, H; La, DS; Cheng, AC; Whittington, DA; Patel, VF; Chen, K; Dineen, TA; Epstein, O; Graceffa, R; Hickman, D; Kiang, YH; Louie, S; Luo, Y; Wahl, RC; Wen, PH; Wood, S; Fremeau, RT Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256104 163347331 CHEMBL2177340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209335 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1 CLHGRAHPLPVFAC-WBAQKLHDSA-N 50182869 CHEMBL439521::N-((S)-2-amino-3-((S)-1-((S)-1-((2S,3R)-4-(3,5-di(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-oxopropyl)-2H-tetrazole-5-carboxamide Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2008.01.058 10.7270/Q2PV6M6V 18249539 Hamada, Y; Abdel-Rahman, H; Yamani, A; Nguyen, JT; Stochaj, M; Hidaka, K; Kimura, T; Hayashi, Y; Saito, K; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11962093 104067484 CHEMBL439521 ZINC95543009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209336 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 HNWIZDPHFDXSOR-BSSYVKIHSA-N 50234178 CHEMBL255838::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxam::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1016/j.bmcl.2008.01.058 10.7270/Q2PV6M6V 18249539 Hamada, Y; Abdel-Rahman, H; Yamani, A; Nguyen, JT; Stochaj, M; Hidaka, K; Kimura, T; Hayashi, Y; Saito, K; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16043232 104055866 CHEMBL255838 ZINC95548932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209337 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 InChI=1S/C32H42Cl2N10O6/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33)12-20(34)14-21/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 ZLKMYLKXFFQSEV-WBAQKLHDSA-N 50372558 CHEMBL257587 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2008.01.058 10.7270/Q2PV6M6V 18249539 Hamada, Y; Abdel-Rahman, H; Yamani, A; Nguyen, JT; Stochaj, M; Hidaka, K; Kimura, T; Hayashi, Y; Saito, K; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25008440 160851659 CHEMBL257587 ZINC29127982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209346 C[C@H](N)Cc1ccc(O)cc1 InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1 GIKNHHRFLCDOEU-ZETCQYMHSA-N 50359501 CHEMBL1927024::HYDROXYAMPHETAMINE Beta-secretase 1 Homo sapiens 800000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 644000 136963525 CHEMBL1927024 ZINC01690604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209347 C[C@H](N)Cc1ccc(O)cc1 InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1 GIKNHHRFLCDOEU-ZETCQYMHSA-N 50359501 CHEMBL1927024::HYDROXYAMPHETAMINE Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 644000 136963525 CHEMBL1927024 ZINC01690604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209348 CCc1cc(CCN)ccc1O InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3 LDAFQVRTSOETPE-UHFFFAOYSA-N 50372983 CHEMBL255750 Beta-secretase 1 Homo sapiens 660000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AEH 3BUG 24748050 160852084 CHEMBL255750 DB07346 ZINC24966454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209349 NCCc1ccc(O)cc1 InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N 29135 CHEMBL11608::cid_5610::p-Tyramine::tyramine Beta-secretase 1 Homo sapiens 2000000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AEF 5FF9,4N7C,8EEK,3BRA 5610 81054564 15760 CHEMBL11608 DB08841 2150 C00483 ZINC00002233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209350 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209351 Cc1ccc(cc1)-c1cc(CCN)ccc1O InChI=1S/C15H17NO/c1-11-2-5-13(6-3-11)14-10-12(8-9-16)4-7-15(14)17/h2-7,10,17H,8-9,16H2,1H3 BENJIQGGVQKYHO-UHFFFAOYSA-N 50372981 CHEMBL428070 Beta-secretase 1 Homo sapiens 60000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25110771 160852082 CHEMBL428070 ZINC29128346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209352 NCCc1ccc(O)c(c1)-c1ccccc1 InChI=1S/C14H15NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h1-7,10,16H,8-9,15H2 LOZTXHYIOMVECK-UHFFFAOYSA-N 50372982 CHEMBL272576 Beta-secretase 1 Homo sapiens 350000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454505 160852083 CHEMBL272576 ZINC29127593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50209353 NCCc1ccc(O)c(c1)C1CCCCC1 InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2 DOCCSEDGBYCYLS-UHFFFAOYSA-N 50372980 CHEMBL404150 Beta-secretase 1 Homo sapiens 220000 ChEMBL 10.1016/j.bmcl.2008.01.032 10.7270/Q2Z60PW9 18226904 Kuglstatter, A; Stahl, M; Peters, JU; Huber, W; Stihle, M; Schlatter, D; Benz, J; Ruf, A; Roth, D; Enderle, T; Hennig, M F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AED 3BUH 24748051 160852081 CHEMBL404150 DB07345 ZINC24966463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216006 COc1cccc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1 LRYKHTDVFXMHEH-HSZRJFAPSA-N 50379896 CHEMBL2011981 Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681036 160858979 CHEMBL2011981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216009 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(C)c1 InChI=1S/C19H20N4O/c1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22) FJJHRLCGQGECLA-UHFFFAOYSA-N 50379875 CHEMBL2011964 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262510 160858958 CHEMBL2011964 ZINC84597173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216010 CN1C(N)=N[C@@](C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t18-/m1/s1 SZDQNTKTWBPIBH-GOSISDBHSA-N 50379914 CHEMBL2011965 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388465 160858997 CHEMBL2011965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216011 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C18H17FN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22) SYCWNJCJKWUGNM-UHFFFAOYSA-N 50379876 CHEMBL2012006 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11609507 160858959 CHEMBL2012006 ZINC35929931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216012 CCC1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C18H18ClN3O/c1-3-18(16(23)22(2)17(20)21-18)14-8-4-6-12(10-14)13-7-5-9-15(19)11-13/h4-11H,3H2,1-2H3,(H2,20,21) JDGYHXLXMUDRKO-UHFFFAOYSA-N 50379874 CHEMBL2011986 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262465 160858957 CHEMBL2011986 ZINC84632665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216013 CN1C(N)=NC(C)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C17H16ClN3O/c1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h3-10H,1-2H3,(H2,19,20) NOHPEKSBDPSXOM-UHFFFAOYSA-N 50379900 CHEMBL2011985 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11738522 160858983 CHEMBL2011985 ZINC36376962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216014 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C19H17N5O/c1-24-17(25)19(15-5-6-15,23-18(24)21)16-4-2-3-13(8-16)14-7-12(9-20)10-22-11-14/h2-4,7-8,10-11,15H,5-6H2,1H3,(H2,21,23) YNHHKAKPUCUXLP-UHFFFAOYSA-N 50379878 CHEMBL2012005 Beta-secretase 1 Homo sapiens 610 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262314 160858961 CHEMBL2012005 ZINC84616429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216015 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C19H18ClN3O/c1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13/h2-7,10-11,14H,8-9H2,1H3,(H2,21,22) BMNNJCHHHVKNJT-UHFFFAOYSA-N 50379902 CHEMBL2011988 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262540 160858985 CHEMBL2011988 ZINC84597095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216020 CC(C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C19H20ClN3O/c1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h4-12H,1-3H3,(H2,21,22) VWORSAPPCITGHN-UHFFFAOYSA-N 50379901 CHEMBL2011987 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262564 160858984 CHEMBL2011987 ZINC84633425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216021 CN1C(N)=NC(C2CCCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C21H22ClN3O/c1-25-19(26)21(24-20(25)23,16-8-2-3-9-16)17-10-4-6-14(12-17)15-7-5-11-18(22)13-15/h4-7,10-13,16H,2-3,8-9H2,1H3,(H2,23,24) TYMVGXIPQGTWEX-UHFFFAOYSA-N 50379904 CHEMBL2011990 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262361 160858987 CHEMBL2011990 ZINC84604815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216024 CN1C(N)=NC(C2CCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23) VZGLDYSDFDRZHL-UHFFFAOYSA-N 50379903 CHEMBL2011989 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262444 160858986 CHEMBL2011989 ZINC84597097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216025 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)C1(C)CC1 InChI=1S/C20H20ClN3O/c1-19(9-10-19)20(17(25)24(2)18(22)23-20)15-7-3-5-13(11-15)14-6-4-8-16(21)12-14/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23) JIJODFBAJRFDGM-UHFFFAOYSA-N 50379906 CHEMBL2011992 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388490 160858989 CHEMBL2011992 ZINC84605133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216026 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C22H24ClN3O/c1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H2,24,25) KQNHFKXHVNOELI-UHFFFAOYSA-N 50379905 CHEMBL2011991 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387534 160858988 CHEMBL2011991 ZINC84605129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216028 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)c1ccccn1 InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,18-10-2-3-11-24-18)16-8-4-6-14(12-16)15-7-5-9-17(22)13-15/h2-13H,1H3,(H2,23,25) GEFNKCOBIWZLQI-UHFFFAOYSA-N 50379908 CHEMBL2011994 Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262346 160858991 CHEMBL2011994 ZINC84605141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216031 CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)C1CC1 InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)/t21-/m1/s1 HORHMTMHXZJNQJ-OAQYLSRUSA-N 50379915 CHEMBL2012070 Beta-secretase 1 Homo sapiens 5.4 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57404339 160858998 CHEMBL2012070 ZINC43206772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216032 CN1C(N)=NC(CC2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,12-13-8-9-13)16-6-2-4-14(10-16)15-5-3-7-17(21)11-15/h2-7,10-11,13H,8-9,12H2,1H3,(H2,22,23) PKPHSCAXKJAHAV-UHFFFAOYSA-N 50379907 CHEMBL2011993 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387607 160858990 CHEMBL2011993 ZINC84605136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216033 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22) SZDQNTKTWBPIBH-UHFFFAOYSA-N 50379913 CHEMBL2012069 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11566309 160858996 CHEMBL2012069 ZINC35825062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216007 CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23) RCSWOKAWDNQMMD-UHFFFAOYSA-N 50379881 CHEMBL2012002 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11624078 160858964 CHEMBL2012002 ZINC35949720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216008 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 InChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22) VBEPQYVSCSCKOC-UHFFFAOYSA-N 50379877 CHEMBL2012004 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2012.02.013 10.7270/Q2N58NC2 22390835 Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387407 160858960 CHEMBL2012004 ZINC84632616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220561 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/m0/s1 PQSORGYMZCKRDU-QLADTWODSA-N 50398474 CHEMBL2179136 Beta-secretase 1 Homo sapiens 7.3 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451915 163347498 CHEMBL2179136 ZINC95573383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220562 CC(C)CNC[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O InChI=1S/C35H49N5O5S/c1-24(2)21-36-23-33(26(4)41)37-22-31(17-27-13-9-7-10-14-27)39-35(43)30-18-29(19-32(20-30)40(5)46(6,44)45)34(42)38-25(3)28-15-11-8-12-16-28/h7-16,18-20,24-26,31,33,36-37,41H,17,21-23H2,1-6H3,(H,38,42)(H,39,43)/t25-,26+,31+,33-/m1/s1 DCQRAHJGOCAAHA-ZGWOGYLFSA-N 50398479 CHEMBL2179135 Beta-secretase 1 Homo sapiens >1000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46218829 163347503 CHEMBL2179135 ZINC68208825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220563 CO[C@@H](C)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C36H49N5O6S/c1-24(2)22-38-36(44)33(26(4)47-6)37-23-31(18-27-14-10-8-11-15-27)40-35(43)30-19-29(20-32(21-30)41(5)48(7,45)46)34(42)39-25(3)28-16-12-9-13-17-28/h8-17,19-21,24-26,31,33,37H,18,22-23H2,1-7H3,(H,38,44)(H,39,42)(H,40,43)/t25-,26+,31+,33+/m1/s1 NLGTXVWPBSJCDY-XXTIZMNHSA-N 50398480 CHEMBL2179134 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462611 163347504 CHEMBL2179134 ZINC95575222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220564 CC(C)CN(C)C(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O InChI=1S/C36H49N5O6S/c1-24(2)23-40(5)36(45)33(26(4)42)37-22-31(18-27-14-10-8-11-15-27)39-35(44)30-19-29(20-32(21-30)41(6)48(7,46)47)34(43)38-25(3)28-16-12-9-13-17-28/h8-17,19-21,24-26,31,33,37,42H,18,22-23H2,1-7H3,(H,38,43)(H,39,44)/t25-,26+,31+,33+/m1/s1 XOPQRGGKQAVXBQ-XXTIZMNHSA-N 50398481 CHEMBL2179133 Beta-secretase 1 Homo sapiens >1000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460916 163347505 CHEMBL2179133 ZINC95573343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220565 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C InChI=1S/C30H53N5O9S/c1-16(2)11-22(25(36)12-19(7)27(37)35-26(18(5)6)29(39)31-13-17(3)4)33-28(38)24(15-45(10,41)42)34-30(40)43-14-23-20(8)44-21(9)32-23/h16-19,22,24-26,36H,11-15H2,1-10H3,(H,31,39)(H,33,38)(H,34,40)(H,35,37)/t19-,22+,24+,25+,26+/m1/s1 UDROXIDKAFGJQP-ACAMQMCKSA-N 16254 (2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate::CHEMBL449300::N2-[(2R,4S,5S)-5-{[N-{[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide::oxazolylmethyl-bearing inhibitor 6 Beta-secretase 1 Homo sapiens 0.120000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11498384 46516314 CHEMBL449300 ZINC49841211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220566 CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23)C(=O)NCC(C)C InChI=1S/C33H47N5O5S/c1-6-11-29(39)30(33(41)35-19-22(3)4)34-20-26(16-23-12-9-8-10-13-23)36-32(40)25-17-27-24(7-2)21-38-14-15-44(42,43)37(5)28(18-25)31(27)38/h8-10,12-13,17-18,21-22,26,29-30,34,39H,6-7,11,14-16,19-20H2,1-5H3,(H,35,41)(H,36,40)/t26-,29-,30-/m0/s1 LWOMHNWWEBISDH-NSGJQZOKSA-N 50398473 CHEMBL2179137 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457260 163347497 CHEMBL2179137 ZINC95578666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214901 NC(=N)SCc1c(F)cccc1Cl InChI=1S/C8H8ClFN2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12) AJLZWUZGPRPJLO-UHFFFAOYSA-N 50379199 CHEMBL2011271 Beta-secretase 1 Homo sapiens 300000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2732446 160858282 CHEMBL2011271 ZINC04014093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214902 Fc1cccc(Cl)c1CN1CCNCC1 InChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2 PBJVZHBDDDMHIT-UHFFFAOYSA-N 50379200 CHEMBL2011272 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 735737 160858283 CHEMBL2011272 ZINC20045590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214903 Nc1ccc2cc(F)ccc2n1 InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) DSROYDXRWJWKRT-UHFFFAOYSA-N 50154584 6-Fluoro-quinolin-2-ylamine::CHEMBL185917 Beta-secretase 1 Homo sapiens 1280000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50154584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50154584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11400948 104042248 CHEMBL185917 ZINC13584268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214904 Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1 InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29) JBOWUKRDBGMOJZ-UHFFFAOYSA-N 50351920 CHEMBL1821811 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RTN 3RTN 53236890 136358606 CHEMBL1821811 ZINC72177291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214905 Fc1cccc(c1)C1NCCc2sccc12 InChI=1S/C13H12FNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2 YBCMZWJYPPOTSI-UHFFFAOYSA-N 50379201 CHEMBL2011273 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46167953 160858284 CHEMBL2011273 ZINC35933212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214906 Nc1ccc2cc(ccc2n1)-c1ccccc1C(F)(F)F InChI=1S/C16H11F3N2/c17-16(18,19)13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(20)21-14/h1-9H,(H2,20,21) PQRMRANNLMCJHJ-UHFFFAOYSA-N 50379206 CHEMBL2011278 Beta-secretase 1 Homo sapiens 200000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70683113 160858289 CHEMBL2011278 ZINC84635043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214907 Nc1ccc2cc(ccc2n1)-c1ccccc1F InChI=1S/C15H11FN2/c16-13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(17)18-14/h1-9H,(H2,17,18) WLRRZYUYUADNSQ-UHFFFAOYSA-N 50379198 CHEMBL2011277 Beta-secretase 1 Homo sapiens 39000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680986 160858281 CHEMBL2011277 ZINC84618177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214908 FC(F)(F)C(=O)NC1CCCCC1 InChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13) NNIONFSOKOHXIB-UHFFFAOYSA-N 50379203 CHEMBL2011279 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 557702 160858286 CHEMBL2011279 ZINC03165518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214909 Nc1ccc2ccccc2n1 InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) GCMNJUJAKQGROZ-UHFFFAOYSA-N 14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116) Beta-secretase 1 Homo sapiens 900000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2AQ 7WPM,7ORU,2OHL,5G65 11379 46514664 CHEMBL61236 ZINC19074717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214910 Cc1ccc2nc(N)ccc2c1 InChI=1S/C10H10N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3,(H2,11,12) RQQLHRZJJNJFJR-UHFFFAOYSA-N 50154583 6-Methyl-quinolin-2-ylamine::CHEMBL361660 Beta-secretase 1 Homo sapiens 1600000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50154583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50154583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9855551 104042247 CHEMBL361660 ZINC13584275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214911 NC(=N)SCc1c(F)cccc1Cl InChI=1S/C8H8ClFN2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12) AJLZWUZGPRPJLO-UHFFFAOYSA-N 50379199 CHEMBL2011271 Beta-secretase 1 Homo sapiens 350000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2732446 160858282 CHEMBL2011271 ZINC04014093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214912 Nc1ccc2cc(ccc2n1)-c1ccccc1C(F)(F)F InChI=1S/C16H11F3N2/c17-16(18,19)13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(20)21-14/h1-9H,(H2,20,21) PQRMRANNLMCJHJ-UHFFFAOYSA-N 50379206 CHEMBL2011278 Beta-secretase 1 Homo sapiens 200000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70683113 160858289 CHEMBL2011278 ZINC84635043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214913 NC1=Nc2ccccc2Sc2cccc(F)c12 InChI=1S/C13H9FN2S/c14-8-4-3-7-11-12(8)13(15)16-9-5-1-2-6-10(9)17-11/h1-7H,(H2,15,16) PQWQVZVWCFLQGK-UHFFFAOYSA-N 50379202 CHEMBL1981917 Beta-secretase 1 Homo sapiens 400000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 396646 160858285 CHEMBL1981917 ZINC01655172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214914 Nc1ccc2cc(F)ccc2n1 InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) DSROYDXRWJWKRT-UHFFFAOYSA-N 50154584 6-Fluoro-quinolin-2-ylamine::CHEMBL185917 Beta-secretase 1 Homo sapiens 1000000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50154584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50154584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11400948 104042248 CHEMBL185917 ZINC13584268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214915 Nc1ccc2cc(ccc2n1)C(F)(F)F InChI=1S/C10H7F3N2/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(14)15-8/h1-5H,(H2,14,15) IMXIFGHLRHXQGE-UHFFFAOYSA-N 50379207 CHEMBL2011274 Beta-secretase 1 Homo sapiens 3900000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11218095 160858290 CHEMBL2011274 ZINC26474758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214916 Fc1cccc(c1)C1NCCc2sccc12 InChI=1S/C13H12FNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2 YBCMZWJYPPOTSI-UHFFFAOYSA-N 50379201 CHEMBL2011273 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46167953 160858284 CHEMBL2011273 ZINC35933212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214917 Nc1cc(c2ccccc2n1)C(F)(F)F InChI=1S/C10H7F3N2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H,(H2,14,15) UNRQZWDGGRFKTL-UHFFFAOYSA-N 50379205 CHEMBL2011276 Beta-secretase 1 Homo sapiens 2900000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11127565 160858288 CHEMBL2011276 ZINC38283844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214918 NC1=Nc2ccccc2Sc2cccc(F)c12 InChI=1S/C13H9FN2S/c14-8-4-3-7-11-12(8)13(15)16-9-5-1-2-6-10(9)17-11/h1-7H,(H2,15,16) PQWQVZVWCFLQGK-UHFFFAOYSA-N 50379202 CHEMBL1981917 Beta-secretase 1 Homo sapiens 325000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 396646 160858285 CHEMBL1981917 ZINC01655172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214919 Cc1cc(N)nc2ccccc12 InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12) LAKQBTPNPXHTNB-UHFFFAOYSA-N 50379204 4-Methylquinolin-2-amine::CHEMBL2011275 Beta-secretase 1 Homo sapiens 1300000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379204&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search M5K 5G66 231935 160858287 CHEMBL2011275 ZINC01646696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214920 Nc1ccc2cc(ccc2n1)-c1ccccc1 InChI=1S/C15H12N2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h1-10H,(H2,16,17) JMQQPOWQXSLUPD-UHFFFAOYSA-N 50351913 CHEMBL1821802 Beta-secretase 1 Homo sapiens 34000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465786 136358599 CHEMBL1821802 ZINC70494235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214921 Cc1ccccc1-c1ccc2nc(N)ccc2c1 InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) CGNIKISUVFSKGJ-UHFFFAOYSA-N 50351914 CHEMBL1821803 Beta-secretase 1 Homo sapiens 25000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465787 136358600 CHEMBL1821803 ZINC72178571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214922 Fc1cccc(Cl)c1CN1CCNCC1 InChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2 PBJVZHBDDDMHIT-UHFFFAOYSA-N 50379200 CHEMBL2011272 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1021/jm201441k 10.7270/Q2Q81F2J 22165820 Jordan, JB; Poppe, L; Xia, X; Cheng, AC; Sun, Y; Michelsen, K; Eastwood, H; Schnier, PD; Nixey, T; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 735737 160858283 CHEMBL2011272 ZINC20045590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214925 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C38H44Cl2N4/c1-24-18-25-20-26(19-24)36-35(21-25)44-34-23-28(40)13-15-31(34)38(36)42-17-9-5-3-2-4-8-16-41-37-29-10-6-7-11-32(29)43-33-22-27(39)12-14-30(33)37/h12-15,18,22-23,25-26H,2-11,16-17,19-21H2,1H3,(H,41,43)(H,42,44) JVAZMJIFYNHUQW-UHFFFAOYSA-N 10589 3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}amino}-7,11-methanocycloocta[b]quinoline dihydrochloride::7-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-15-methyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine dihydrochloride::CHEMBL2011496::Huprine-Tacrine Heterodimer 18c Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23644654 46509331 CHEMBL2011496 ZINC14947326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214927 Cl.Cl.Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C40H48Cl2N4/c1-26-20-27-22-28(21-26)38-37(23-27)46-36-25-30(42)15-17-33(36)40(38)44-19-11-7-5-3-2-4-6-10-18-43-39-31-12-8-9-13-34(31)45-35-24-29(41)14-16-32(35)39/h14-17,20,24-25,27-28H,2-13,18-19,21-23H2,1H3,(H,43,45)(H,44,46) LUGRPYHMYKPOKB-UHFFFAOYSA-N 50379272 CHEMBL3216779 Beta-secretase 1 Homo sapiens 6600 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90664978 160858355 CHEMBL3216779 ZINC84614740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214929 Cl.Cl.Cl.Cl.CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C37H42Cl2N4/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)12-14-30(33)37(35)41-16-8-4-2-3-7-15-40-36-28-9-5-6-10-31(28)42-32-21-26(38)11-13-29(32)36/h11-14,17,21-22,24-25H,2-10,15-16,18-20H2,1H3,(H,40,42)(H,41,43)/t24-,25+/m0/s1 GCPORJYZTJZXFH-LOSJGSFVSA-N 50379267 CHEMBL3216557 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90664854 160858350 CHEMBL3216557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214931 Cl.Cl.Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C39H46Cl2N4.4ClH/c1-25-19-26-21-27(20-25)37-36(22-26)45-35-24-29(41)14-16-32(35)39(37)43-18-10-6-4-2-3-5-9-17-42-38-30-11-7-8-12-33(30)44-34-23-28(40)13-15-31(34)38;;;;/h13-16,19,23-24,26-27H,2-12,17-18,20-22H2,1H3,(H,42,44)(H,43,45);4*1H RWMOTCMOVKJSKD-UHFFFAOYSA-N 50027470 CHEMBL3216778 Beta-secretase 1 Homo sapiens 5800 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50027470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50027470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90664977 103936941 CHEMBL3216778 ZINC28007985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214932 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) ITZOKHKOFJOBFS-UHFFFAOYSA-N 8963 CHEMBL32823::Homodimeric Tacrine Analog 3b::N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 3b::Tacrine-Based Inhibitor 2f::tacrine homobivalent compound 3a Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AA7 2CKM,5EI5 9549196 46509739 CHEMBL32823 ZINC01893945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214933 Cl.Cl.Cl.Cl.CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C37H42Cl2N4/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)12-14-30(33)37(35)41-16-8-4-2-3-7-15-40-36-28-9-5-6-10-31(28)42-32-21-26(38)11-13-29(32)36/h11-14,17,21-22,24-25H,2-10,15-16,18-20H2,1H3,(H,40,42)(H,41,43)/t24-,25+/m1/s1 GCPORJYZTJZXFH-RPBOFIJWSA-N 50379268 CHEMBL3216556 Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90664853 160858351 CHEMBL3216556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214935 Cl.Cl.Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C40H49ClN4.3ClH/c1-27-22-28-24-29(23-27)38-37(25-28)45-36-26-30(41)18-19-33(36)40(38)43-21-13-7-5-3-2-4-6-12-20-42-39-31-14-8-10-16-34(31)44-35-17-11-9-15-32(35)39;;;/h8,10,14,16,18-19,22,26,28-29H,2-7,9,11-13,15,17,20-21,23-25H2,1H3,(H,42,44)(H,43,45);3*1H VIJFMNBXCJCRFX-UHFFFAOYSA-N 50027471 CHEMBL3216554 Beta-secretase 1 Homo sapiens 7300 ChEMBL 10.1021/jm200840c 10.7270/Q26974KH 22185619 Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillon, C; Gonzalez-Munoz, GC; Rodriguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Munoz-Torrero, D Universitat de Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50027471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50027471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90664851 103936942 CHEMBL3216554 ZINC28009597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218339 CC(=O)N[C@@H](Cc1ccc(C)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O3/c1-18-7-8-20(12-23(18)30)13-24(33-19(2)34)26(35)17-31-25-15-29(9-6-10-29)36-27-22(25)11-21(16-32-27)14-28(3,4)5/h7-8,11-12,16,24-26,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t24-,25-,26+/m0/s1 SAHAOYKXDZOYLC-KKUQBAQOSA-N 50392770 CHEMBL2151243 Beta-secretase 1 Homo sapiens 0.990000 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68699050 163341794 CHEMBL2151243 ZINC95574256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218340 CC(=O)N[C@@H](Cc1ccc(C)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O3/c1-18-7-8-20(12-23(18)30)13-24(33-19(2)34)26(35)17-31-25-15-29(9-6-10-29)36-27-22(25)11-21(16-32-27)14-28(3,4)5/h7-8,11-12,16,24-26,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t24-,25-,26+/m0/s1 SAHAOYKXDZOYLC-KKUQBAQOSA-N 50392770 CHEMBL2151243 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68699050 163341794 CHEMBL2151243 ZINC95574256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218341 COc1cc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)ccc1F InChI=1S/C29H40FN3O4/c1-18(34)33-23(12-19-7-8-22(30)26(13-19)36-5)25(35)17-31-24-15-29(9-6-10-29)37-27-21(24)11-20(16-32-27)14-28(2,3)4/h7-8,11,13,16,23-25,31,35H,6,9-10,12,14-15,17H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1 DTZPIFYDDLMENC-CCDWMCETSA-N 50392787 CHEMBL2151242 Beta-secretase 1 Homo sapiens 7.6 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452994 163341811 CHEMBL2151242 ZINC95574267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218342 CC(=O)N[C@@H](Cc1ccc(F)c(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37F4N3O3/c1-17(37)36-23(12-18-6-7-22(30)21(11-18)29(31,32)33)25(38)16-34-24-14-28(8-5-9-28)39-26-20(24)10-19(15-35-26)13-27(2,3)4/h6-7,10-11,15,23-25,34,38H,5,8-9,12-14,16H2,1-4H3,(H,36,37)/t23-,24-,25+/m0/s1 MYTVXNHBRORZBI-CCDWMCETSA-N 50392784 CHEMBL2151239 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68698631 163341808 CHEMBL2151239 ZINC95574079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218343 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 FBJQDUYQPYABBR-CCDWMCETSA-N 50383839 CHEMBL2030997 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0MP 4DUS 60202322 160862922 CHEMBL2030997 ZINC84671119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218344 CC(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-19-6-7-20(29)12-22(19)30)25(35)16-31-24-14-28(8-5-9-28)36-26-21(24)10-18(15-32-26)13-27(2,3)4/h6-7,10,12,15,23-25,31,35H,5,8-9,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 AAHFBZODUHKGBC-CCDWMCETSA-N 50392781 CHEMBL2151236 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68693259 163341805 CHEMBL2151236 ZINC95572524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218345 CC(=O)N[C@@H](Cc1ccc(F)c(C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O3/c1-18-11-20(7-8-23(18)30)13-24(33-19(2)34)26(35)17-31-25-15-29(9-6-10-29)36-27-22(25)12-21(16-32-27)14-28(3,4)5/h7-8,11-12,16,24-26,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t24-,25-,26+/m0/s1 NHIPWBOQIBZBNP-KKUQBAQOSA-N 50392783 CHEMBL2151238 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68695669 163341807 CHEMBL2151238 ZINC95578913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218346 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 ZJIPAWSHYBXAKX-CCDWMCETSA-N 50383838 CHEMBL2030996 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67306893 160862921 CHEMBL2030996 ZINC84671033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218347 CC(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H38F3N3O3/c1-18(36)35-23(13-19-7-5-8-21(11-19)29(30,31)32)25(37)17-33-24-15-28(9-6-10-28)38-26-22(24)12-20(16-34-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,33,37H,6,9-10,13-15,17H2,1-4H3,(H,35,36)/t23-,24-,25+/m0/s1 FYUUNYNZWADHLV-CCDWMCETSA-N 50392780 CHEMBL2151235 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68698423 163341804 CHEMBL2151235 ZINC95578285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218348 CC(=O)N[C@@H](Cc1ccc(F)c(c1)C#N)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37FN4O3/c1-18(35)34-24(12-19-6-7-23(30)21(10-19)15-31)26(36)17-32-25-14-29(8-5-9-29)37-27-22(25)11-20(16-33-27)13-28(2,3)4/h6-7,10-11,16,24-26,32,36H,5,8-9,12-14,17H2,1-4H3,(H,34,35)/t24-,25-,26+/m0/s1 YRBNTISLTUJTJI-KKUQBAQOSA-N 50392786 CHEMBL2151241 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67305701 163341810 CHEMBL2151241 ZINC95572945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218349 CC(=O)N[C@@H](Cc1ccc(F)c(C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O3/c1-18-11-20(7-8-23(18)30)13-24(33-19(2)34)26(35)17-31-25-15-29(9-6-10-29)36-27-22(25)12-21(16-32-27)14-28(3,4)5/h7-8,11-12,16,24-26,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t24-,25-,26+/m0/s1 NHIPWBOQIBZBNP-KKUQBAQOSA-N 50392783 CHEMBL2151238 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68695669 163341807 CHEMBL2151238 ZINC95578913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218350 CC(=O)N[C@@H](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37F4N3O4/c1-17(37)36-22(11-18-6-7-21(30)25(12-18)39-29(31,32)33)24(38)16-34-23-14-28(8-5-9-28)40-26-20(23)10-19(15-35-26)13-27(2,3)4/h6-7,10,12,15,22-24,34,38H,5,8-9,11,13-14,16H2,1-4H3,(H,36,37)/t22-,23-,24+/m0/s1 PIKUTRPQMRVSAL-KMDXXIMOSA-N 50392785 CHEMBL2151240 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454736 163341809 CHEMBL2151240 ZINC95572519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218351 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-18-8-20(29)12-21(30)9-18)25(35)16-31-24-14-28(6-5-7-28)36-26-22(24)10-19(15-32-26)13-27(2,3)4/h8-10,12,15,23-25,31,35H,5-7,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 ZZIYYUNIVIIWAU-CCDWMCETSA-N 50383837 CHEMBL2030998 Beta-secretase 1 Homo sapiens 6.9 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70687977 160862920 CHEMBL2030998 ZINC84671120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218352 CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(12-18-6-7-21(29)22(30)11-18)25(35)16-31-24-14-28(8-5-9-28)36-26-20(24)10-19(15-32-26)13-27(2,3)4/h6-7,10-11,15,23-25,31,35H,5,8-9,12-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 KVLZAJQNNNTHPD-CCDWMCETSA-N 50392782 CHEMBL2151237 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68700798 163341806 CHEMBL2151237 ZINC95577754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218353 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 ZJIPAWSHYBXAKX-CCDWMCETSA-N 50383838 CHEMBL2030996 Beta-secretase 1 Homo sapiens 1.8 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67306893 160862921 CHEMBL2030996 ZINC84671033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218354 CC(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H38F3N3O3/c1-18(36)35-23(13-19-7-5-8-21(11-19)29(30,31)32)25(37)17-33-24-15-28(9-6-10-28)38-26-22(24)12-20(16-34-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,33,37H,6,9-10,13-15,17H2,1-4H3,(H,35,36)/t23-,24-,25+/m0/s1 FYUUNYNZWADHLV-CCDWMCETSA-N 50392780 CHEMBL2151235 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68698423 163341804 CHEMBL2151235 ZINC95578285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218355 CC(=O)N[C@@H](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37F4N3O4/c1-17(37)36-22(11-18-6-7-21(30)25(12-18)39-29(31,32)33)24(38)16-34-23-14-28(8-5-9-28)40-26-20(23)10-19(15-35-26)13-27(2,3)4/h6-7,10,12,15,22-24,34,38H,5,8-9,11,13-14,16H2,1-4H3,(H,36,37)/t22-,23-,24+/m0/s1 PIKUTRPQMRVSAL-KMDXXIMOSA-N 50392785 CHEMBL2151240 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454736 163341809 CHEMBL2151240 ZINC95572519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218356 CC(=O)N[C@@H](Cc1ccc(F)c(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37F4N3O3/c1-17(37)36-23(12-18-6-7-22(30)21(11-18)29(31,32)33)25(38)16-34-24-14-28(8-5-9-28)39-26-20(24)10-19(15-35-26)13-27(2,3)4/h6-7,10-11,15,23-25,34,38H,5,8-9,12-14,16H2,1-4H3,(H,36,37)/t23-,24-,25+/m0/s1 MYTVXNHBRORZBI-CCDWMCETSA-N 50392784 CHEMBL2151239 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68698631 163341808 CHEMBL2151239 ZINC95574079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218360 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-18-8-20(29)12-21(30)9-18)25(35)16-31-24-14-28(6-5-7-28)36-26-22(24)10-19(15-32-26)13-27(2,3)4/h8-10,12,15,23-25,31,35H,5-7,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 ZZIYYUNIVIIWAU-CCDWMCETSA-N 50383837 CHEMBL2030998 Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70687977 160862920 CHEMBL2030998 ZINC84671120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218362 CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(12-18-6-7-21(29)22(30)11-18)25(35)16-31-24-14-28(8-5-9-28)36-26-20(24)10-19(15-32-26)13-27(2,3)4/h6-7,10-11,15,23-25,31,35H,5,8-9,12-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 KVLZAJQNNNTHPD-CCDWMCETSA-N 50392782 CHEMBL2151237 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68700798 163341806 CHEMBL2151237 ZINC95577754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218363 COc1cc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)ccc1F InChI=1S/C29H40FN3O4/c1-18(34)33-23(12-19-7-8-22(30)26(13-19)36-5)25(35)17-31-24-15-29(9-6-10-29)37-27-21(24)11-20(16-32-27)14-28(2,3)4/h7-8,11,13,16,23-25,31,35H,6,9-10,12,14-15,17H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1 DTZPIFYDDLMENC-CCDWMCETSA-N 50392787 CHEMBL2151242 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452994 163341811 CHEMBL2151242 ZINC95574267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218367 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 FBJQDUYQPYABBR-CCDWMCETSA-N 50383839 CHEMBL2030997 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0MP 4DUS 60202322 160862922 CHEMBL2030997 ZINC84671119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218368 CC(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-19-6-7-20(29)12-22(19)30)25(35)16-31-24-14-28(8-5-9-28)36-26-21(24)10-18(15-32-26)13-27(2,3)4/h6-7,10,12,15,23-25,31,35H,5,8-9,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 AAHFBZODUHKGBC-CCDWMCETSA-N 50392781 CHEMBL2151236 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68693259 163341805 CHEMBL2151236 ZINC95572524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218371 CC(=O)N[C@@H](Cc1ccc(F)c(c1)C#N)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37FN4O3/c1-18(35)34-24(12-19-6-7-23(30)21(10-19)15-31)26(36)17-32-25-14-29(8-5-9-29)37-27-22(25)11-20(16-33-27)13-28(2,3)4/h6-7,10-11,16,24-26,32,36H,5,8-9,12-14,17H2,1-4H3,(H,34,35)/t24-,25-,26+/m0/s1 YRBNTISLTUJTJI-KKUQBAQOSA-N 50392786 CHEMBL2151241 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67305701 163341810 CHEMBL2151241 ZINC95572945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218372 COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1F InChI=1S/C29H40FN3O4/c1-18(34)33-23(13-19-7-8-26(36-5)22(30)12-19)25(35)17-31-24-15-29(9-6-10-29)37-27-21(24)11-20(16-32-27)14-28(2,3)4/h7-8,11-12,16,23-25,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1 RSABACCPSRMLRM-CCDWMCETSA-N 50392771 CHEMBL2151244 Beta-secretase 1 Homo sapiens 8.5 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68695878 163341795 CHEMBL2151244 ZINC95580547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218374 COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1F InChI=1S/C29H40FN3O4/c1-18(34)33-23(13-19-7-8-26(36-5)22(30)12-19)25(35)17-31-24-15-29(9-6-10-29)37-27-21(24)11-20(16-32-27)14-28(2,3)4/h7-8,11-12,16,23-25,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1 RSABACCPSRMLRM-CCDWMCETSA-N 50392771 CHEMBL2151244 Beta-secretase 1 Homo sapiens 3.6 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68695878 163341795 CHEMBL2151244 ZINC95580547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218375 CC(=O)N[C@@H](Cc1ccccc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-20-8-5-6-9-22(20)29)25(34)17-30-24-15-28(10-7-11-28)35-26-21(24)12-19(16-31-26)14-27(2,3)4/h5-6,8-9,12,16,23-25,30,34H,7,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 ZAJKCLUZHUAIIX-CCDWMCETSA-N 50392777 CHEMBL2151152 Beta-secretase 1 Homo sapiens 5.1 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68693809 163341801 CHEMBL2151152 ZINC95577192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218376 CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 InChI=1S/C26H34N2O3/c1-3-19-10-11-25-21(14-19)23(16-26(31-25)12-7-13-26)27-17-24(30)22(28-18(2)29)15-20-8-5-4-6-9-20/h4-6,8-11,14,22-24,27,30H,3,7,12-13,15-17H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1 KSNAUJWJCQKJBU-KMDXXIMOSA-N 50392774 CHEMBL2151149 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452990 163341798 CHEMBL2151149 ZINC95573599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218378 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1 PSUGQZDSIJNGJX-CCDWMCETSA-N 50392776 CHEMBL2151151 Beta-secretase 1 Homo sapiens 3.1 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460183 163341800 CHEMBL2151151 ZINC95572546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218379 CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccccn4)c(=O)n(c3)C3CCCC3)c2c1 InChI=1S/C40H46N4O4/c1-2-27-16-17-37-31(21-27)35(24-40(48-37)18-10-19-40)42-25-36(45)34(22-28-11-4-3-5-12-28)43-38(46)29-23-32(33-15-8-9-20-41-33)39(47)44(26-29)30-13-6-7-14-30/h3-5,8-9,11-12,15-17,20-21,23,26,30,34-36,42,45H,2,6-7,10,13-14,18-19,22,24-25H2,1H3,(H,43,46)/t34-,35-,36+/m0/s1 WRITUJLAWAHZDW-QGBCWPEESA-N 50392773 CHEMBL2151148 Beta-secretase 1 Homo sapiens 3.6 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454734 163341797 CHEMBL2151148 ZINC95575387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218380 CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H38F3N3O4/c1-18(36)35-23(13-19-6-8-21(9-7-19)38-29(30,31)32)25(37)17-33-24-15-28(10-5-11-28)39-26-22(24)12-20(16-34-26)14-27(2,3)4/h6-9,12,16,23-25,33,37H,5,10-11,13-15,17H2,1-4H3,(H,35,36)/t23-,24-,25+/m0/s1 VOPNGBLDZXPEHL-CCDWMCETSA-N 50392779 CHEMBL2151154 Beta-secretase 1 Homo sapiens 65 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68695405 163341803 CHEMBL2151154 ZINC95578320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218381 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1 PSUGQZDSIJNGJX-CCDWMCETSA-N 50392776 CHEMBL2151151 Beta-secretase 1 Homo sapiens 5.8 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460183 163341800 CHEMBL2151151 ZINC95572546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218387 CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38ClN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 DOUDLQBZEIQPDX-CCDWMCETSA-N 50392778 CHEMBL2151153 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68697394 163341802 CHEMBL2151153 ZINC95571896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218388 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC(C)(C)C)cc12 InChI=1S/C29H40N2O3/c1-20(32)31-24(16-21-9-6-5-7-10-21)26(33)19-30-25-18-29(13-8-14-29)34-27-12-11-22(15-23(25)27)17-28(2,3)4/h5-7,9-12,15,24-26,30,33H,8,13-14,16-19H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1 RMBVKNPBTRNOPG-KKUQBAQOSA-N 50392775 CHEMBL2151150 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460182 163341799 CHEMBL2151150 ZINC95575331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218389 CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccccn4)c(=O)n(c3)C3CCCC3)c2c1 InChI=1S/C40H46N4O4/c1-2-27-16-17-37-31(21-27)35(24-40(48-37)18-10-19-40)42-25-36(45)34(22-28-11-4-3-5-12-28)43-38(46)29-23-32(33-15-8-9-20-41-33)39(47)44(26-29)30-13-6-7-14-30/h3-5,8-9,11-12,15-17,20-21,23,26,30,34-36,42,45H,2,6-7,10,13-14,18-19,22,24-25H2,1H3,(H,43,46)/t34-,35-,36+/m0/s1 WRITUJLAWAHZDW-QGBCWPEESA-N 50392773 CHEMBL2151148 Beta-secretase 1 Homo sapiens 8.8 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454734 163341797 CHEMBL2151148 ZINC95575387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220567 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220568 CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](C)O InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25-,30+,32+/m1/s1 UZFAOTIMARRSKT-TYUOOWEOSA-N 50398477 CHEMBL2179132 Beta-secretase 1 Homo sapiens >1000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GH 4GID 46209414 163347501 CHEMBL2179132 ZINC68208822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220569 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1 HIQWWDCRULXYDF-SWROZOJRSA-N 50231937 CHEMBL403268::N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::N1-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BSD 5MCO,2VKM 24882306 104055368 CHEMBL403268 ZINC29037415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220570 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/m0/s1 PQSORGYMZCKRDU-QLADTWODSA-N 50398474 CHEMBL2179136 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451915 163347498 CHEMBL2179136 ZINC95573383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220571 CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C(C)(C)Cn3cc(CC)c(c1)c23)C(=O)NCC(C)C InChI=1S/C35H51N5O5S/c1-8-13-30(41)31(34(43)37-19-23(3)4)36-20-27(16-24-14-11-10-12-15-24)38-33(42)26-17-28-25(9-2)21-40-22-35(5,6)46(44,45)39(7)29(18-26)32(28)40/h10-12,14-15,17-18,21,23,27,30-31,36,41H,8-9,13,16,19-20,22H2,1-7H3,(H,37,43)(H,38,42)/t27-,30-,31-/m0/s1 WPEFUXWXSZSMFS-NAYUSWPISA-N 50398472 CHEMBL2179138 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459108 163347496 CHEMBL2179138 ZINC95572172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220572 CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C3(CC3)Cn3cc(CC)c(c1)c23)C(=O)NC(C)C InChI=1S/C34H47N5O5S/c1-6-11-29(40)30(33(42)36-22(3)4)35-19-26(16-23-12-9-8-10-13-23)37-32(41)25-17-27-24(7-2)20-39-21-34(14-15-34)45(43,44)38(5)28(18-25)31(27)39/h8-10,12-13,17-18,20,22,26,29-30,35,40H,6-7,11,14-16,19,21H2,1-5H3,(H,36,42)(H,37,41)/t26-,29-,30-/m0/s1 RMFNZPLDSHNPGA-NSGJQZOKSA-N 50398471 CHEMBL2179140 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457261 163347495 CHEMBL2179140 ZINC95575678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220573 CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C35H47N5O5S/c1-7-32(35(43)37-22-24(2)3)36-23-30(18-26-14-10-8-11-15-26)39-34(42)29-19-28(20-31(21-29)40(5)46(6,44)45)33(41)38-25(4)27-16-12-9-13-17-27/h8-17,19-21,24-25,30,32,36H,7,18,22-23H2,1-6H3,(H,37,43)(H,38,41)(H,39,42)/t25-,30+,32+/m1/s1 GPJMPGWBMWJZEY-HFYAYSLXSA-N 50398476 CHEMBL2179130 Beta-secretase 1 Homo sapiens 9.5 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455471 163347500 CHEMBL2179130 ZINC95579612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220574 CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25+,30+,32+/m1/s1 UZFAOTIMARRSKT-QRMRYRAMSA-N 50398475 CHEMBL2179131 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46218828 163347499 CHEMBL2179131 ZINC95576260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220575 CCc1cn2CC3(CC3)S(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 InChI=1S/C33H45N5O5S/c1-6-24-19-38-20-33(12-13-33)44(42,43)37(5)28-16-25(15-27(24)30(28)38)31(40)36-26(14-23-10-8-7-9-11-23)18-34-29(22(4)39)32(41)35-17-21(2)3/h7-11,15-16,19,21-22,26,29,34,39H,6,12-14,17-18,20H2,1-5H3,(H,35,41)(H,36,40)/t22-,26-,29-/m0/s1 ZOJOACOPQFLFHF-ONALNCHISA-N 50398478 CHEMBL2179139 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450105 163347502 CHEMBL2179139 ZINC95575219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220576 CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C(C)(C)Cn3cc(CC)c(c1)c23)C(=O)NCC(C)C InChI=1S/C35H51N5O5S/c1-8-13-30(41)31(34(43)37-19-23(3)4)36-20-27(16-24-14-11-10-12-15-24)38-33(42)26-17-28-25(9-2)21-40-22-35(5,6)46(44,45)39(7)29(18-26)32(28)40/h10-12,14-15,17-18,21,23,27,30-31,36,41H,8-9,13,16,19-20,22H2,1-7H3,(H,37,43)(H,38,42)/t27-,30-,31-/m0/s1 WPEFUXWXSZSMFS-NAYUSWPISA-N 50398472 CHEMBL2179138 Beta-secretase 1 Homo sapiens 0.036000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459108 163347496 CHEMBL2179138 ZINC95572172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220577 CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](C)O InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25-,30+,32+/m1/s1 UZFAOTIMARRSKT-TYUOOWEOSA-N 50398477 CHEMBL2179132 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0GH 4GID 46209414 163347501 CHEMBL2179132 ZINC68208822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220578 CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25+,30+,32+/m1/s1 UZFAOTIMARRSKT-QRMRYRAMSA-N 50398475 CHEMBL2179131 Beta-secretase 1 Homo sapiens 0.017000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46218828 163347499 CHEMBL2179131 ZINC95576260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220579 CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C InChI=1S/C35H47N5O5S/c1-7-32(35(43)37-22-24(2)3)36-23-30(18-26-14-10-8-11-15-26)39-34(42)29-19-28(20-31(21-29)40(5)46(6,44)45)33(41)38-25(4)27-16-12-9-13-17-27/h8-17,19-21,24-25,30,32,36H,7,18,22-23H2,1-6H3,(H,37,43)(H,38,41)(H,39,42)/t25-,30+,32+/m1/s1 GPJMPGWBMWJZEY-HFYAYSLXSA-N 50398476 CHEMBL2179130 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455471 163347500 CHEMBL2179130 ZINC95579612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220580 CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C3(CC3)Cn3cc(CC)c(c1)c23)C(=O)NC(C)C InChI=1S/C34H47N5O5S/c1-6-11-29(40)30(33(42)36-22(3)4)35-19-26(16-23-12-9-8-10-13-23)37-32(41)25-17-27-24(7-2)20-39-21-34(14-15-34)45(43,44)38(5)28(18-25)31(27)39/h8-10,12-13,17-18,20,22,26,29-30,35,40H,6-7,11,14-16,19,21H2,1-5H3,(H,36,42)(H,37,41)/t26-,29-,30-/m0/s1 RMFNZPLDSHNPGA-NSGJQZOKSA-N 50398471 CHEMBL2179140 Beta-secretase 1 Homo sapiens 0.470000 ChEMBL 10.1021/jm3008823 10.7270/Q23F4QT0 22954357 Ghosh, AK; Venkateswara Rao, K; Yadav, ND; Anderson, DD; Gavande, N; Huang, X; Terzyan, S; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457261 163347495 CHEMBL2179140 ZINC95575678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220581 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 InChI=1S/C29H38N4O4/c1-4-16-33(17-5-2)29(36)25-18-24(28(35)32-22(3)23-12-8-6-9-13-23)19-26(20-25)37-21-27(34)31-15-11-7-10-14-30/h4-6,8-9,12-13,18-20,22H,1-2,7,10-11,14-17,21,30H2,3H3,(H,31,34)(H,32,35)/t22-/m1/s1 KCEHMJAHDXQQHY-JOCHJYFZSA-N 16042 5-{[(5-aminopentyl)carbamoyl]methoxy}-3-N-[(1R)-1-phenylethyl]-1-N,1-N-bis(prop-2-en-1-yl)benzene-1,3-dicarboxamide::oxyacetamide 1 Beta-secretase 1 Homo sapiens 25000 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11598634 46516309 ZINC13585510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220582 CC(C)Oc1cccc(CN2CC[C@]3(CN(C(C)C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C26H36FN3O3S/c1-19(2)29-18-26(30(34(29,31)32)24-10-7-9-23(27)15-24)12-13-28(21(5)16-26)17-22-8-6-11-25(14-22)33-20(3)4/h6-11,14-15,19-21H,12-13,16-18H2,1-5H3/t21-,26+/m0/s1 LKFLONPUNYWUSP-HFZDXXHNSA-N 50398622 CHEMBL2177475 Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930632 163347646 CHEMBL2177475 ZINC95579790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220583 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ccncc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C28H33FN4O3S/c1-21(2)36-27-9-4-6-23(16-27)19-31-15-12-28(18-22(31)3)20-32(25-10-13-30-14-11-25)37(34,35)33(28)26-8-5-7-24(29)17-26/h4-11,13-14,16-17,21-22H,12,15,18-20H2,1-3H3/t22-,28+/m0/s1 JBBICBSNEXRPNM-RBISFHTESA-N 50398621 CHEMBL2177476 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930658 163347645 CHEMBL2177476 ZINC95572686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220584 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C28H33FN4O3S/c1-21(2)36-27-11-4-7-23(15-27)19-31-14-12-28(17-22(31)3)20-32(26-10-6-13-30-18-26)37(34,35)33(28)25-9-5-8-24(29)16-25/h4-11,13,15-16,18,21-22H,12,14,17,19-20H2,1-3H3/t22-,28+/m0/s1 WMNYPMGMKRSEED-RBISFHTESA-N 50398620 CHEMBL2177477 Beta-secretase 1 Homo sapiens 3100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930707 163347644 CHEMBL2177477 ZINC95577473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220585 CC(C)Oc1cccc(CN2CC[C@]3(CN(C(C)C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C26H36FN3O3S/c1-19(2)29-18-26(30(34(29,31)32)24-10-7-9-23(27)15-24)12-13-28(21(5)16-26)17-22-8-6-11-25(14-22)33-20(3)4/h6-11,14-15,19-21H,12-13,16-18H2,1-5H3/t21-,26+/m0/s1 LKFLONPUNYWUSP-HFZDXXHNSA-N 50398622 CHEMBL2177475 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930632 163347646 CHEMBL2177475 ZINC95579790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220586 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ccncc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C28H33FN4O3S/c1-21(2)36-27-9-4-6-23(16-27)19-31-15-12-28(18-22(31)3)20-32(25-10-13-30-14-11-25)37(34,35)33(28)26-8-5-7-24(29)17-26/h4-11,13-14,16-17,21-22H,12,15,18-20H2,1-3H3/t22-,28+/m0/s1 JBBICBSNEXRPNM-RBISFHTESA-N 50398621 CHEMBL2177476 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930658 163347645 CHEMBL2177476 ZINC95572686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220587 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C28H33FN4O3S/c1-21(2)36-27-11-4-7-23(15-27)19-31-14-12-28(17-22(31)3)20-32(26-10-6-13-30-18-26)37(34,35)33(28)25-9-5-8-24(29)16-25/h4-11,13,15-16,18,21-22H,12,14,17,19-20H2,1-3H3/t22-,28+/m0/s1 WMNYPMGMKRSEED-RBISFHTESA-N 50398620 CHEMBL2177477 Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930707 163347644 CHEMBL2177477 ZINC95577473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220588 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncccn4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C27H32FN5O3S/c1-20(2)36-25-10-4-7-22(15-25)18-31-14-11-27(17-21(31)3)19-32(26-29-12-6-13-30-26)37(34,35)33(27)24-9-5-8-23(28)16-24/h4-10,12-13,15-16,20-21H,11,14,17-19H2,1-3H3/t21-,27+/m0/s1 CPNYKYVZIZDRFM-KDYSTLNUSA-N 50398619 CHEMBL2177478 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44515351 163347643 CHEMBL2177478 ZINC95573344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220589 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4nccs4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C26H31FN4O3S2/c1-19(2)34-24-9-4-6-21(14-24)17-29-12-10-26(16-20(29)3)18-30(25-28-11-13-35-25)36(32,33)31(26)23-8-5-7-22(27)15-23/h4-9,11,13-15,19-20H,10,12,16-18H2,1-3H3/t20-,26+/m0/s1 HZDBHXACFJDRIT-RXFWQSSRSA-N 50398618 CHEMBL2177479 Beta-secretase 1 Homo sapiens 4100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455353 163347642 CHEMBL2177479 ZINC95571812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220590 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc2[nH]ccc2c1 InChI=1S/C23H27FN4O2S/c1-17-14-23(9-11-27(17)15-18-6-7-22-19(12-18)8-10-25-22)16-26(2)31(29,30)28(23)21-5-3-4-20(24)13-21/h3-8,10,12-13,17,25H,9,11,14-16H2,1-2H3/t17-,23+/m0/s1 DIZVQZJZOKIMBX-GAJHUEQPSA-N 50398615 CHEMBL2177482 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460789 163347639 CHEMBL2177482 ZINC95579686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220591 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncco4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C26H31FN4O4S/c1-19(2)35-24-9-4-6-21(14-24)17-29-12-10-26(16-20(29)3)18-30(25-28-11-13-34-25)36(32,33)31(26)23-8-5-7-22(27)15-23/h4-9,11,13-15,19-20H,10,12,16-18H2,1-3H3/t20-,26+/m0/s1 XZOORKHGEHGJDG-RXFWQSSRSA-N 50398617 CHEMBL2177480 Beta-secretase 1 Homo sapiens >10200 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930642 163347641 CHEMBL2177480 ZINC95575726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220592 CCc1n[nH]c2ccc(CN3CC[C@]4(CN(C)S(=O)(=O)N4c4cccc(F)c4)C[C@@H]3C)cc12 InChI=1S/C24H30FN5O2S/c1-4-22-21-12-18(8-9-23(21)27-26-22)15-29-11-10-24(14-17(29)2)16-28(3)33(31,32)30(24)20-7-5-6-19(25)13-20/h5-9,12-13,17H,4,10-11,14-16H2,1-3H3,(H,26,27)/t17-,24+/m0/s1 FUWIMDVZJVRXTN-BXKMTCNYSA-N 50398614 CHEMBL2177483 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44514744 163347638 CHEMBL2177483 ZINC95578580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220593 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(NC(C)=O)cc1 InChI=1S/C23H29FN4O3S/c1-17-14-23(11-12-27(17)15-19-7-9-21(10-8-19)25-18(2)29)16-26(3)32(30,31)28(23)22-6-4-5-20(24)13-22/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,25,29)/t17-,23+/m0/s1 LLNXXQVRQUGWJV-GAJHUEQPSA-N 50398616 CHEMBL2177481 Beta-secretase 1 Homo sapiens 7400 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930819 163347640 CHEMBL2177481 ZINC95572908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220598 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1 InChI=1S/C21H26FN3O3S/c1-16-13-21(10-11-24(16)14-17-6-8-20(26)9-7-17)15-23(2)29(27,28)25(21)19-5-3-4-18(22)12-19/h3-9,12,16,26H,10-11,13-15H2,1-2H3/t16-,21+/m0/s1 MYMDKNMEPUYDBL-HRAATJIYSA-N 50398613 CHEMBL2177484 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930530 163347637 CHEMBL2177484 ZINC95573443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220601 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc2[nH]ccc2c1 InChI=1S/C23H27FN4O2S/c1-17-14-23(9-11-27(17)15-18-6-7-22-19(12-18)8-10-25-22)16-26(2)31(29,30)28(23)21-5-3-4-20(24)13-21/h3-8,10,12-13,17,25H,9,11,14-16H2,1-2H3/t17-,23+/m0/s1 DIZVQZJZOKIMBX-GAJHUEQPSA-N 50398615 CHEMBL2177482 Beta-secretase 1 Homo sapiens 770 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460789 163347639 CHEMBL2177482 ZINC95579686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220604 CCc1n[nH]c2ccc(CN3CC[C@]4(CN(C)S(=O)(=O)N4c4cccc(F)c4)C[C@@H]3C)cc12 InChI=1S/C24H30FN5O2S/c1-4-22-21-12-18(8-9-23(21)27-26-22)15-29-11-10-24(14-17(29)2)16-28(3)33(31,32)30(24)20-7-5-6-19(25)13-20/h5-9,12-13,17H,4,10-11,14-16H2,1-3H3,(H,26,27)/t17-,24+/m0/s1 FUWIMDVZJVRXTN-BXKMTCNYSA-N 50398614 CHEMBL2177483 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44514744 163347638 CHEMBL2177483 ZINC95578580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220632 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncccn4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C27H32FN5O3S/c1-20(2)36-25-10-4-7-22(15-25)18-31-14-11-27(17-21(31)3)19-32(26-29-12-6-13-30-26)37(34,35)33(27)24-9-5-8-23(28)16-24/h4-10,12-13,15-16,20-21H,11,14,17-19H2,1-3H3/t21-,27+/m0/s1 CPNYKYVZIZDRFM-KDYSTLNUSA-N 50398619 CHEMBL2177478 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44515351 163347643 CHEMBL2177478 ZINC95573344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224998 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nccc(=O)[nH]2)=N1 InChI=1S/C23H23ClN4O/c1-23(2)14-16-13-17(24)8-9-18(16)21(28-23)26-19(12-15-6-4-3-5-7-15)22-25-11-10-20(29)27-22/h3-11,13,19H,12,14H2,1-2H3,(H,26,28)(H,25,27,29)/t19-/m0/s1 RRINRPYMMVSLGD-IBGZPJMESA-N 50432177 CHEMBL2346798 Beta-secretase 1 Homo sapiens 2710 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580347 164161052 CHEMBL2346798 ZINC95604136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224999 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)[nH]2)=N1 InChI=1S/C27H25ClN4O/c1-27(2)16-18-15-19(28)12-13-20(18)24(32-27)30-23(14-17-8-4-3-5-9-17)25-29-22-11-7-6-10-21(22)26(33)31-25/h3-13,15,23H,14,16H2,1-2H3,(H,30,32)(H,29,31,33)/t23-/m0/s1 PAZUNXAAGDUPAQ-QHCPKHFHSA-N 50432176 CHEMBL2346799 Beta-secretase 1 Homo sapiens 7230 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580455 164161051 CHEMBL2346799 ZINC95602550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225000 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=N1 InChI=1S/C26H24ClN5O/c1-26(2)14-17-13-18(27)8-9-19(17)23(32-26)30-22(12-16-6-4-3-5-7-16)24-29-21-10-11-28-15-20(21)25(33)31-24/h3-11,13,15,22H,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t22-/m0/s1 DQYKHJYAOKSEPD-QFIPXVFZSA-N 50432175 CHEMBL2346800 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70789285 164161050 CHEMBL2346800 ZINC95603900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225001 Cc1ccc2C(N[C@@H](Cc3ccccc3)C(O)=O)=NC(C)(C)Cc2c1 InChI=1S/C21H24N2O2/c1-14-9-10-17-16(11-14)13-21(2,3)23-19(17)22-18(20(24)25)12-15-7-5-4-6-8-15/h4-11,18H,12-13H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1 UAEIHBHKPCSSIM-SFHVURJKSA-N 50432186 CHEMBL2346789 Beta-secretase 1 Homo sapiens 5410 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580139 164161061 CHEMBL2346789 ZINC95602091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225002 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(Cl)c(=O)[nH]2)=N1 InChI=1S/C23H22Cl2N4O/c1-23(2)12-15-11-16(24)8-9-17(15)20(29-23)27-19(10-14-6-4-3-5-7-14)21-26-13-18(25)22(30)28-21/h3-9,11,13,19H,10,12H2,1-2H3,(H,27,29)(H,26,28,30)/t19-/m0/s1 JSUFHPJCDKHGLH-IBGZPJMESA-N 50432174 CHEMBL2346801 Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580458 164161049 CHEMBL2346801 ZINC95601775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225003 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(O)=O)=N1 InChI=1S/C20H21ClN2O2/c1-20(2)12-14-11-15(21)8-9-16(14)18(23-20)22-17(19(24)25)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1 MRUPOSGQIWSVEY-KRWDZBQOSA-N 50432185 CHEMBL2346790 Beta-secretase 1 Homo sapiens 2840 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580243 164161060 CHEMBL2346790 ZINC95602598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225004 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(C#N)c(=O)[nH]2)=N1 InChI=1S/C24H22ClN5O/c1-24(2)12-16-11-18(25)8-9-19(16)21(30-24)28-20(10-15-6-4-3-5-7-15)22-27-14-17(13-26)23(31)29-22/h3-9,11,14,20H,10,12H2,1-2H3,(H,28,30)(H,27,29,31)/t20-/m0/s1 SSQLUPVACAMCTQ-FQEVSTJZSA-N 50432173 CHEMBL2346802 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70789284 164161048 CHEMBL2346802 ZINC95602622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225005 CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)c2nnn[nH]2)=N1 InChI=1S/C20H22N6/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19-23-25-26-24-19)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24,25,26) HWQBHEXYOVDZOR-UHFFFAOYSA-N 50432184 CHEMBL2346791 Beta-secretase 1 Homo sapiens 638600 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580244 164161059 CHEMBL2346791 ZINC95602274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225006 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc3ccoc3n2)=N1 InChI=1S/C25H23ClN4O/c1-25(2)14-18-13-19(26)8-9-20(18)22(30-25)28-21(12-16-6-4-3-5-7-16)23-27-15-17-10-11-31-24(17)29-23/h3-11,13,15,21H,12,14H2,1-2H3,(H,28,30)/t21-/m0/s1 QHGKBEUNVIGBBZ-NRFANRHFSA-N 50432172 CHEMBL2346803 Beta-secretase 1 Homo sapiens 73700 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580565 164161047 CHEMBL2346803 ZINC95604441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225007 CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nnco2)=N1 InChI=1S/C21H21ClN4O/c1-21(2)12-15-11-16(22)8-9-17(15)19(25-21)24-18(20-26-23-13-27-20)10-14-6-4-3-5-7-14/h3-9,11,13,18H,10,12H2,1-2H3,(H,24,25) BWOIXOCKMIWTRJ-UHFFFAOYSA-N 50432183 CHEMBL2346792 Beta-secretase 1 Homo sapiens 184900 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580245 164161058 CHEMBL2346792 ZINC95603291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225008 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(I)c(=O)[nH]2)=N1 InChI=1S/C23H22ClIN4O/c1-23(2)12-15-11-16(24)8-9-17(15)20(29-23)27-19(10-14-6-4-3-5-7-14)21-26-13-18(25)22(30)28-21/h3-9,11,13,19H,10,12H2,1-2H3,(H,27,29)(H,26,28,30)/t19-/m0/s1 WAHURWKRLNXZOW-IBGZPJMESA-N 50432171 CHEMBL2346804 Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580566 164161046 CHEMBL2346804 ZINC95602847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225009 Cc1nnc(o1)C(Cc1ccccc1)NC1=NC(C)(C)Cc2cc(Cl)ccc12 InChI=1S/C22H23ClN4O/c1-14-26-27-21(28-14)19(11-15-7-5-4-6-8-15)24-20-18-10-9-17(23)12-16(18)13-22(2,3)25-20/h4-10,12,19H,11,13H2,1-3H3,(H,24,25) OAJMPDYBXZJAMJ-UHFFFAOYSA-N 50432182 CHEMBL2346793 Beta-secretase 1 Homo sapiens 339700 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580246 164161057 CHEMBL2346793 ZINC95602089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225010 CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncccn2)=N1 InChI=1S/C23H23ClN4/c1-23(2)15-17-14-18(24)9-10-19(17)21(28-23)27-20(22-25-11-6-12-26-22)13-16-7-4-3-5-8-16/h3-12,14,20H,13,15H2,1-2H3,(H,27,28) JDRXQLVAUZOERE-UHFFFAOYSA-N 50432181 CHEMBL2346794 Beta-secretase 1 Homo sapiens 137100 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580247 164161056 CHEMBL2346794 ZINC95604220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225011 Cc1ccnc(n1)C(Cc1ccccc1)NC1=NC(C)(C)Cc2cc(Cl)ccc12 InChI=1S/C24H25ClN4/c1-16-11-12-26-23(27-16)21(13-17-7-5-4-6-8-17)28-22-20-10-9-19(25)14-18(20)15-24(2,3)29-22/h4-12,14,21H,13,15H2,1-3H3,(H,28,29) FDQFWCLDQBSPQX-UHFFFAOYSA-N 50432180 CHEMBL2346795 Beta-secretase 1 Homo sapiens >250000 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580248 164161055 CHEMBL2346795 ZINC95605270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225012 CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc(=O)o[nH]2)=N1 InChI=1S/C21H21ClN4O2/c1-21(2)12-14-11-15(22)8-9-16(14)18(25-21)23-17(19-24-20(27)28-26-19)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H,24,26,27)/t17-/m0/s1 XREOSEVJCQGCHE-KRWDZBQOSA-N 50432179 CHEMBL2346796 Beta-secretase 1 Homo sapiens 750 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0ZA 4HZT 70789278 164161054 CHEMBL2346796 ZINC95605836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225013 CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1 InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24) SKZOZLFDNIMQMW-UHFFFAOYSA-N 50432187 CHEMBL2136098 Beta-secretase 1 Homo sapiens 27200 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1CH 4I11 2860077 164161062 CHEMBL2136098 ZINC00342589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225014 CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2n[nH]c(=O)[nH]2)=N1 InChI=1S/C21H22ClN5O/c1-21(2)12-14-11-15(22)8-9-16(14)18(25-21)23-17(19-24-20(28)27-26-19)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H2,24,26,27,28) VFPDPDSUNOZPME-UHFFFAOYSA-N 50432178 CHEMBL2346797 Beta-secretase 1 Homo sapiens 3370 ChEMBL 10.1016/j.bmcl.2013.01.103 10.7270/Q25B03WH 23465612 Bowers, S; Xu, YZ; Yuan, S; Probst, GD; Hom, RK; Chan, W; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Pan, H; Brecht, E; Yao, N; Lougheed, J; Tam, D; Ren, Z; Ruslim, L; Bova, MP; Artis, DR Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71580344 164161053 CHEMBL2346797 ZINC95602951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225015 Brc1ccc(N2CCN(CC2)C(=O)c2cccs2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C31H25BrN4O3S/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-40-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)39-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30- XKNVRGSSSSKNOC-MEIHLTSWSA-N 50432307 CHEMBL2347883 Beta-secretase 1 Homo sapiens 3550 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583100 164161182 CHEMBL2347883 ZINC95601022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225016 Brc1ccc(N2CCN(Cc3cccc(c3)C#N)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C34H28BrN5O2/c35-27-13-14-31(40-17-15-39(16-18-40)23-25-8-6-7-24(19-25)22-36)30(21-27)38-33(41)29-20-26-9-4-5-12-32(26)42-34(29)37-28-10-2-1-3-11-28/h1-14,19-21H,15-18,23H2,(H,38,41)/b37-34- GRWKMHPYZNLNJQ-LLLYXHGFSA-N 50432318 CHEMBL2347872 Beta-secretase 1 Homo sapiens 119 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582886 164161193 CHEMBL2347872 ZINC95602114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225017 COc1ccc(CN2CCN(CC2)c2ccc(Br)cc2NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)cc1 InChI=1S/C34H31BrN4O3/c1-41-28-14-11-24(12-15-28)23-38-17-19-39(20-18-38)31-16-13-26(35)22-30(31)37-33(40)29-21-25-7-5-6-10-32(25)42-34(29)36-27-8-3-2-4-9-27/h2-16,21-22H,17-20,23H2,1H3,(H,37,40)/b36-34- QQFLBQDAVMESCN-ZSWXBHCYSA-N 50432317 CHEMBL2347873 Beta-secretase 1 Homo sapiens 578 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582887 164161192 CHEMBL2347873 ZINC95604185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225018 [O-][N+](=O)c1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 InChI=1S/C33H26BrN5O5/c34-24-13-14-29(37-15-17-38(18-16-37)33(41)23-8-6-11-26(19-23)39(42)43)28(21-24)36-31(40)27-20-22-7-4-5-12-30(22)44-32(27)35-25-9-2-1-3-10-25/h1-14,19-21H,15-18H2,(H,36,40)/b35-32- YUAPDQNIVYYBPE-JCUPVDEDSA-N 50432309 CHEMBL2347881 Beta-secretase 1 Homo sapiens 26430 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583098 164161184 CHEMBL2347881 ZINC95604705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225019 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 InChI=1S/C28H27BrN4O3/c29-21-10-11-25(33-14-12-32(13-15-33)16-17-34)24(19-21)31-27(35)23-18-20-6-4-5-9-26(20)36-28(23)30-22-7-2-1-3-8-22/h1-11,18-19,34H,12-17H2,(H,31,35)/b30-28- AHBZCSZBSZCDNO-HYOGKJQXSA-N 50432320 CHEMBL2347870 Beta-secretase 1 Homo sapiens 849 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584607 164161195 CHEMBL2347870 ZINC95602914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225020 Brc1ccc(N2CCN(CC2)C(=O)c2ccco2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C31H25BrN4O4/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-39-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)40-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30- DJSVNKICBGYXSA-MEIHLTSWSA-N 50432308 CHEMBL2347882 Beta-secretase 1 Homo sapiens 741 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583099 164161183 CHEMBL2347882 ZINC95603965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225021 Brc1ccc(N2CCN(CCCC#N)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C30H28BrN5O2/c31-23-12-13-27(36-18-16-35(17-19-36)15-7-6-14-32)26(21-23)34-29(37)25-20-22-8-4-5-11-28(22)38-30(25)33-24-9-2-1-3-10-24/h1-5,8-13,20-21H,6-7,15-19H2,(H,34,37)/b33-30- RSUBWEPWSHIRRG-MEIHLTSWSA-N 50432319 CHEMBL2347871 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584608 164161194 CHEMBL2347871 ZINC95601461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225022 Brc1ccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C38H34BrN5O4/c39-27-16-17-33(43-22-20-42(21-23-43)18-8-9-19-44-37(46)29-13-5-6-14-30(29)38(44)47)32(25-27)41-35(45)31-24-26-10-4-7-15-34(26)48-36(31)40-28-11-2-1-3-12-28/h1-7,10-17,24-25H,8-9,18-23H2,(H,41,45)/b40-36- CCBJYMSELAITLT-NJMFHTGSSA-N 50432314 CHEMBL2347876 Beta-secretase 1 Homo sapiens 854 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582986 164161189 CHEMBL2347876 ZINC95602082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225023 Brc1ccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C36H30BrN5O4/c37-25-14-15-31(41-19-16-40(17-20-41)18-21-42-35(44)27-11-5-6-12-28(27)36(42)45)30(23-25)39-33(43)29-22-24-8-4-7-13-32(24)46-34(29)38-26-9-2-1-3-10-26/h1-15,22-23H,16-21H2,(H,39,43)/b38-34- AJPRRCFTXUILRU-RXJYLVDRSA-N 50432316 CHEMBL2347874 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582888 164161191 CHEMBL2347874 ZINC95601220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225024 Brc1ccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C37H32BrN5O4/c38-26-15-16-32(42-21-19-41(20-22-42)17-8-18-43-36(45)28-12-5-6-13-29(28)37(43)46)31(24-26)40-34(44)30-23-25-9-4-7-14-33(25)47-35(30)39-27-10-2-1-3-11-27/h1-7,9-16,23-24H,8,17-22H2,(H,40,44)/b39-35- OJRCSESGEQSIMB-ICKFRXAFSA-N 50432315 CHEMBL2347875 Beta-secretase 1 Homo sapiens 326 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582889 164161190 CHEMBL2347875 ZINC95602085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225025 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=N InChI=1S/C25H27BrN4O4/c1-25(2,3)34-24(32)30-12-10-29(11-13-30)20-9-8-17(26)15-19(20)28-23(31)18-14-16-6-4-5-7-21(16)33-22(18)27/h4-9,14-15,27H,10-13H2,1-3H3,(H,28,31) OSXPQUNHURKVEQ-UHFFFAOYSA-N 50432326 CHEMBL2347865 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584477 164161201 CHEMBL2347865 ZINC95601796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225026 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=N)oc12 InChI=1S/C28H27BrN4O3/c1-35-25-9-5-8-20-16-22(27(30)36-26(20)25)28(34)31-23-17-21(29)10-11-24(23)33-14-12-32(13-15-33)18-19-6-3-2-4-7-19/h2-11,16-17,30H,12-15,18H2,1H3,(H,31,34) UVVDQXUOAJAEPH-UHFFFAOYSA-N 50432325 CHEMBL2347866 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584478 164161200 CHEMBL2347866 ZINC95602246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225027 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=N)c1 InChI=1S/C27H25BrN4O2/c28-21-10-11-24(32-14-12-31(13-15-32)18-19-6-2-1-3-7-19)23(17-21)30-27(33)22-16-20-8-4-5-9-25(20)34-26(22)29/h1-11,16-17,29H,12-15,18H2,(H,30,33) HSSQZTUBGOSCDN-UHFFFAOYSA-N 50432327 CHEMBL2347864 Beta-secretase 1 Homo sapiens 1216 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584476 164161202 CHEMBL2347864 ZINC95601579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225028 COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 InChI=1S/C34H29BrN4O4/c1-42-27-14-11-23(12-15-27)34(41)39-19-17-38(18-20-39)30-16-13-25(35)22-29(30)37-32(40)28-21-24-7-5-6-10-31(24)43-33(28)36-26-8-3-2-4-9-26/h2-16,21-22H,17-20H2,1H3,(H,37,40)/b36-33- DAEWEYVRWLUALQ-NECWGFRUSA-N 50432311 CHEMBL2347879 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582989 164161186 CHEMBL2347879 ZINC95601577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225029 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)\c(=N\c3ccccc3)oc12 InChI=1S/C34H31BrN4O3/c1-41-31-14-8-11-25-21-28(34(42-32(25)31)36-27-12-6-3-7-13-27)33(40)37-29-22-26(35)15-16-30(29)39-19-17-38(18-20-39)23-24-9-4-2-5-10-24/h2-16,21-22H,17-20,23H2,1H3,(H,37,40)/b36-34- AAYBCINOWIIZPS-ZSWXBHCYSA-N 50432322 CHEMBL2347868 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584606 164161197 CHEMBL2347868 ZINC95601464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225030 COc1ccccc1C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 InChI=1S/C34H29BrN4O4/c1-42-31-14-8-6-12-26(31)34(41)39-19-17-38(18-20-39)29-16-15-24(35)22-28(29)37-32(40)27-21-23-9-5-7-13-30(23)43-33(27)36-25-10-3-2-4-11-25/h2-16,21-22H,17-20H2,1H3,(H,37,40)/b36-33- OVQUWBSFDGLXPR-NECWGFRUSA-N 50432310 CHEMBL2347880 Beta-secretase 1 Homo sapiens 25740 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71583097 164161185 CHEMBL2347880 ZINC95605842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225031 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C26H23BrN4O2/c27-19-10-11-23(31-14-12-28-13-15-31)22(17-19)30-25(32)21-16-18-6-4-5-9-24(18)33-26(21)29-20-7-2-1-3-8-20/h1-11,16-17,28H,12-15H2,(H,30,32)/b29-26- UXSNZUUICCVQKN-WCTVFOPTSA-N 50432321 CHEMBL2347869 Beta-secretase 1 Homo sapiens 9267 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584475 164161196 CHEMBL2347869 ZINC95602213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225032 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225033 Brc1ccc(N2CCN(CCc3cc4ccccc4[nH]3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C36H32BrN5O2/c37-27-14-15-33(42-20-18-41(19-21-42)17-16-29-22-25-8-4-6-12-31(25)38-29)32(24-27)40-35(43)30-23-26-9-5-7-13-34(26)44-36(30)39-28-10-2-1-3-11-28/h1-15,22-24,38H,16-21H2,(H,40,43)/b39-36- YTIUQAJUUIPSNK-HYLXNHFUSA-N 50432313 CHEMBL2347877 Beta-secretase 1 Homo sapiens 928 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582987 164161188 CHEMBL2347877 ZINC95602144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225034 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1 InChI=1S/C33H29BrN4O2/c34-26-15-16-30(38-19-17-37(18-20-38)23-24-9-3-1-4-10-24)29(22-26)36-32(39)28-21-25-11-7-8-14-31(25)40-33(28)35-27-12-5-2-6-13-27/h1-16,21-22H,17-20,23H2,(H,36,39)/b35-33- WAZWRCTZGZUBKE-OAPYJULQSA-N 50432324 CHEMBL2347867 Beta-secretase 1 Homo sapiens 503 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584604 164161199 CHEMBL2347867 ZINC95605328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225035 Clc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 InChI=1S/C33H26BrClN4O3/c34-24-13-14-29(38-15-17-39(18-16-38)33(41)23-8-6-9-25(35)19-23)28(21-24)37-31(40)27-20-22-7-4-5-12-30(22)42-32(27)36-26-10-2-1-3-11-26/h1-14,19-21H,15-18H2,(H,37,40)/b36-32- QISCWPIZGSAUNI-HIELXXDYSA-N 50432312 CHEMBL2347878 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71582988 164161187 CHEMBL2347878 ZINC95603135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213952 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1 InChI=1S/C30H40N4O4/c1-21(29(37)32-24-13-6-3-7-14-24)31-20-27(35)26(18-22-10-4-2-5-11-22)33-30(38)23-12-8-15-25(19-23)34-17-9-16-28(34)36/h2,4-5,8,10-12,15,19,21,24,26-27,31,35H,3,6-7,9,13-14,16-18,20H2,1H3,(H,32,37)(H,33,38)/t21-,26-,27+/m0/s1 NUXXROATVMQIKI-NJTBCWBZSA-N 50322878 CHEMBL271230::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44454541 117644199 CHEMBL271230 ZINC29127647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213953 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 InChI=1S/C37H40F3N3O4S/c1-48(46,47)43(32-17-6-3-7-18-32)33-22-29(28-14-8-9-15-28)21-30(23-33)36(45)42-34(20-26-11-4-2-5-12-26)35(44)25-41-24-27-13-10-16-31(19-27)37(38,39)40/h2-7,10-13,16-19,21-23,28,34-35,41,44H,8-9,14-15,20,24-25H2,1H3,(H,42,45)/t34-,35+/m0/s1 HGSCTPUCDDAAQZ-OIDHKYIRSA-N 50322916 3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210434 Beta-secretase 1 Homo sapiens 275 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10327211 117644237 CHEMBL1210434 ZINC03987498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213954 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 InChI=1S/C37H40F3N3O4S/c1-48(46,47)43(32-17-6-3-7-18-32)33-22-29(28-14-8-9-15-28)21-30(23-33)36(45)42-34(20-26-11-4-2-5-12-26)35(44)25-41-24-27-13-10-16-31(19-27)37(38,39)40/h2-7,10-13,16-19,21-23,28,34-35,41,44H,8-9,14-15,20,24-25H2,1H3,(H,42,45)/t34-,35+/m0/s1 HGSCTPUCDDAAQZ-OIDHKYIRSA-N 50322916 3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210434 Beta-secretase 1 Homo sapiens 205 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10327211 117644237 CHEMBL1210434 ZINC03987498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213955 CCS(=O)(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H36F3N3O6S2/c1-3-48(45,46)30-20-26(19-29(21-30)40(47(2,43)44)28-15-8-5-9-16-28)33(42)39-31(18-24-11-6-4-7-12-24)32(41)23-38-22-25-13-10-14-27(17-25)34(35,36)37/h4-17,19-21,31-32,38,41H,3,18,22-23H2,1-2H3,(H,39,42)/t31-,32+/m0/s1 JDPTZHWBCXFTAC-AJQTZOPKSA-N 50322915 3-(ethylsulfonyl)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210364 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11765311 117644236 CHEMBL1210364 ZINC58468457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218397 CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38ClN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 DOUDLQBZEIQPDX-CCDWMCETSA-N 50392778 CHEMBL2151153 Beta-secretase 1 Homo sapiens 8.3 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68697394 163341802 CHEMBL2151153 ZINC95571896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218401 CC(=O)N[C@@H](Cc1ccccc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-20-8-5-6-9-22(20)29)25(34)17-30-24-15-28(10-7-11-28)35-26-21(24)12-19(16-31-26)14-27(2,3)4/h5-6,8-9,12,16,23-25,30,34H,7,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 ZAJKCLUZHUAIIX-CCDWMCETSA-N 50392777 CHEMBL2151152 Beta-secretase 1 Homo sapiens 3.6 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68693809 163341801 CHEMBL2151152 ZINC95577192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218406 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC(C)(C)C)cc12 InChI=1S/C29H40N2O3/c1-20(32)31-24(16-21-9-6-5-7-10-21)26(33)19-30-25-18-29(13-8-14-29)34-27-12-11-22(15-23(25)27)17-28(2,3)4/h5-7,9-12,15,24-26,30,33H,8,13-14,16-19H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1 RMBVKNPBTRNOPG-KKUQBAQOSA-N 50392775 CHEMBL2151150 Beta-secretase 1 Homo sapiens 81 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460182 163341799 CHEMBL2151150 ZINC95575331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218425 CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 InChI=1S/C26H34N2O3/c1-3-19-10-11-25-21(14-19)23(16-26(31-25)12-7-13-26)27-17-24(30)22(28-18(2)29)15-20-8-5-4-6-9-20/h4-6,8-11,14,22-24,27,30H,3,7,12-13,15-17H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1 KSNAUJWJCQKJBU-KMDXXIMOSA-N 50392774 CHEMBL2151149 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71452990 163341798 CHEMBL2151149 ZINC95573599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218427 CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H38F3N3O4/c1-18(36)35-23(13-19-6-8-21(9-7-19)38-29(30,31)32)25(37)17-33-24-15-28(10-5-11-28)39-26-22(24)12-20(16-34-26)14-27(2,3)4/h6-9,12,16,23-25,33,37H,5,10-11,13-15,17H2,1-4H3,(H,35,36)/t23-,24-,25+/m0/s1 VOPNGBLDZXPEHL-CCDWMCETSA-N 50392779 CHEMBL2151154 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68695405 163341803 CHEMBL2151154 ZINC95578320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218430 CC(=O)N[C@@H](Cc1ccc(c(F)c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37F4N3O3/c1-17(37)36-23(12-18-6-7-21(22(30)11-18)29(31,32)33)25(38)16-34-24-14-28(8-5-9-28)39-26-20(24)10-19(15-35-26)13-27(2,3)4/h6-7,10-11,15,23-25,34,38H,5,8-9,12-14,16H2,1-4H3,(H,36,37)/t23-,24-,25+/m0/s1 NOEBJLGZGKXWLU-CCDWMCETSA-N 50392772 CHEMBL2151316 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68696972 163341796 CHEMBL2151316 ZINC95577800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218432 CC(=O)N[C@@H](Cc1ccc(c(F)c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H37F4N3O3/c1-17(37)36-23(12-18-6-7-21(22(30)11-18)29(31,32)33)25(38)16-34-24-14-28(8-5-9-28)39-26-20(24)10-19(15-35-26)13-27(2,3)4/h6-7,10-11,15,23-25,34,38H,5,8-9,12-14,16H2,1-4H3,(H,36,37)/t23-,24-,25+/m0/s1 NOEBJLGZGKXWLU-CCDWMCETSA-N 50392772 CHEMBL2151316 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1021/ml3000148 10.7270/Q2M909RW 24900403 Kaller, MR; Harried, SS; Albrecht, B; Amarante, P; Babu-Khan, S; Bartberger, MD; Brown, J; Brown, R; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Graceffa, R; Hickman, D; Judd, T; Kriemen, C; La, D; Li, V; Lopez, P; Luo, Y; Masse, C; Monenschein, H; Nguyen, T; Pennington, LD; Miguel, TS; Sickmier, EA; Wahl, RC; Weiss, MM; Wen, PH; Williamson, T; Wood, S; Xue, M; Yang, B; Zhang, J; Patel, V; Zhong, W; Hitchcock, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68696972 163341796 CHEMBL2151316 ZINC95577800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218433 CN1C(=O)C[C@](C)(N=C1N)c1csc(c1)-c1cccc(c1)C#N InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 UZXJHBDQSPCDPL-KRWDZBQOSA-N 50392842 CHEMBL2151140 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387262 163341866 CHEMBL2151140 ZINC95573652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218434 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 IKFZEHQGULJMKI-SFHVURJKSA-N 50392836 CHEMBL2151141 Beta-secretase 1 Homo sapiens 7.8 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23627211 163341860 CHEMBL2151141 ZINC68198835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218436 CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C19H18N4O/c1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1 NJLBQDBNTWRZTM-IBGZPJMESA-N 50392844 CHEMBL2151134 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262486 163341868 CHEMBL2151134 ZINC95576697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218439 CC#Cc1cncc(c1)-c1cc(c(Cl)s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(16(19)25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 BIJGCEOIVVAQBS-SFHVURJKSA-N 50392837 CHEMBL2151182 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449357 163341861 CHEMBL2151182 ZINC95574205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218441 CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 MLNWGLXMDFUREO-KRWDZBQOSA-N 50392840 CHEMBL2151138 Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11631207 163341864 CHEMBL2151138 ZINC35965205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218442 CN1C(=O)C[C@](C)(N=C1N)c1ccc(s1)-c1cccc(c1)C#N InChI=1S/C17H16N4OS/c1-17(9-15(22)21(2)16(19)20-17)14-7-6-13(23-14)12-5-3-4-11(8-12)10-18/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1 DVRHLQBEXRCOIC-KRWDZBQOSA-N 50392841 CHEMBL2151139 Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262455 163341865 CHEMBL2151139 ZINC95573102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218445 CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccnc1 InChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1 UXSBRZQVDSXACZ-KRWDZBQOSA-N 50392845 CHEMBL2151135 Beta-secretase 1 Homo sapiens 460 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11185491 163341869 CHEMBL2151135 ZINC38341415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218446 CN1C(=O)C[C@@](N=C1N)(c1ccccc1)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C24H20N4O/c1-28-22(29)15-24(27-23(28)26,20-10-3-2-4-11-20)21-12-6-9-19(14-21)18-8-5-7-17(13-18)16-25/h2-14H,15H2,1H3,(H2,26,27)/t24-/m1/s1 RIHJGEZLYBHKQM-XMMPIXPASA-N 50392846 CHEMBL2151136 Beta-secretase 1 Homo sapiens 9500 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456491 163341870 CHEMBL2151136 ZINC95574121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218452 CC#Cc1cncc(c1)-c1cc(cs1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)15-7-14(11-24-15)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 ZDAZONGVCHDCDF-SFHVURJKSA-N 50392839 CHEMBL2151180 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454735 163341863 CHEMBL2151180 ZINC95573683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218456 CN1C(=O)C[C@@](N=C1N)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C22H20N4O/c1-26-20(27)14-22(25-21(26)23,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-24-15-17/h2-13,15H,14H2,1H3,(H2,23,25)/t22-/m1/s1 AVQWTIHWFVYYEK-JOCHJYFZSA-N 50392848 CHEMBL2151137 Beta-secretase 1 Homo sapiens 44000 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456492 163341872 CHEMBL2151137 ZINC95574846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218459 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 IJYPXSRDUPWKPB-SFHVURJKSA-N 50392835 CHEMBL2151181 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66575082 163341859 CHEMBL2151181 ZINC95571882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218462 CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccnc1 InChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1 UXSBRZQVDSXACZ-KRWDZBQOSA-N 50392845 CHEMBL2151135 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11185491 163341869 CHEMBL2151135 ZINC38341415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218463 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 IJYPXSRDUPWKPB-SFHVURJKSA-N 50392835 CHEMBL2151181 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66575082 163341859 CHEMBL2151181 ZINC95571882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218465 CC#Cc1cncc(c1)-c1cc(c(Cl)s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(16(19)25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 BIJGCEOIVVAQBS-SFHVURJKSA-N 50392837 CHEMBL2151182 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449357 163341861 CHEMBL2151182 ZINC95574205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218466 CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 MLNWGLXMDFUREO-KRWDZBQOSA-N 50392840 CHEMBL2151138 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11631207 163341864 CHEMBL2151138 ZINC35965205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218469 CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H18N4OS/c1-4-5-12-8-13(11-20-10-12)14-6-7-15(24-14)18(2)9-16(23)22(3)17(19)21-18/h6-8,10-11H,9H2,1-3H3,(H2,19,21)/t18-/m0/s1 UGDBWUJFNMDDPJ-SFHVURJKSA-N 50392838 CHEMBL2151179 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451161 163341862 CHEMBL2151179 ZINC95575404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218470 CC#Cc1cncc(c1)-c1cc(cs1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)15-7-14(11-24-15)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 ZDAZONGVCHDCDF-SFHVURJKSA-N 50392839 CHEMBL2151180 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454735 163341863 CHEMBL2151180 ZINC95573683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220676 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1 InChI=1S/C21H26FN3O3S/c1-16-13-21(10-11-24(16)14-17-6-8-20(26)9-7-17)15-23(2)29(27,28)25(21)19-5-3-4-18(22)12-19/h3-9,12,16,26H,10-11,13-15H2,1-2H3/t16-,21+/m0/s1 MYMDKNMEPUYDBL-HRAATJIYSA-N 50398613 CHEMBL2177484 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930530 163347637 CHEMBL2177484 ZINC95573443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220677 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4nccs4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C26H31FN4O3S2/c1-19(2)34-24-9-4-6-21(14-24)17-29-12-10-26(16-20(29)3)18-30(25-28-11-13-35-25)36(32,33)31(26)23-8-5-7-22(27)15-23/h4-9,11,13-15,19-20H,10,12,16-18H2,1-3H3/t20-,26+/m0/s1 HZDBHXACFJDRIT-RXFWQSSRSA-N 50398618 CHEMBL2177479 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455353 163347642 CHEMBL2177479 ZINC95571812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220678 CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncco4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C26H31FN4O4S/c1-19(2)35-24-9-4-6-21(14-24)17-29-12-10-26(16-20(29)3)18-30(25-28-11-13-34-25)36(32,33)31(26)23-8-5-7-22(27)15-23/h4-9,11,13-15,19-20H,10,12,16-18H2,1-3H3/t20-,26+/m0/s1 XZOORKHGEHGJDG-RXFWQSSRSA-N 50398617 CHEMBL2177480 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930642 163347641 CHEMBL2177480 ZINC95575726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220679 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(NC(C)=O)cc1 InChI=1S/C23H29FN4O3S/c1-17-14-23(11-12-27(17)15-19-7-9-21(10-8-19)25-18(2)29)16-26(3)32(30,31)28(23)22-6-4-5-20(24)13-22/h4-10,13,17H,11-12,14-16H2,1-3H3,(H,25,29)/t17-,23+/m0/s1 LLNXXQVRQUGWJV-GAJHUEQPSA-N 50398616 CHEMBL2177481 Beta-secretase 1 Homo sapiens 6400 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930819 163347640 CHEMBL2177481 ZINC95572908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220680 C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccccc1 InChI=1S/C20H24FN3O2S/c1-16-13-20(10-11-23(16)14-17-6-3-2-4-7-17)15-22-27(25,26)24(20)19-9-5-8-18(21)12-19/h2-9,12,16,22H,10-11,13-15H2,1H3/t16-,20+/m0/s1 JTQJHALTNLOPJB-OXJNMPFZSA-N 50398632 CHEMBL2177485 Beta-secretase 1 Homo sapiens 20900 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930761 163347656 CHEMBL2177485 ZINC95577942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220681 COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C21H26FN3O3S/c1-16-13-21(9-10-24(16)14-17-5-3-8-20(11-17)28-2)15-23-29(26,27)25(21)19-7-4-6-18(22)12-19/h3-8,11-12,16,23H,9-10,13-15H2,1-2H3/t16-,21+/m0/s1 YEHAWYCEGPOXCV-HRAATJIYSA-N 50398631 CHEMBL2177486 Beta-secretase 1 Homo sapiens 99300 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930522 163347655 CHEMBL2177486 ZINC95579868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220682 CCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C22H28FN3O3S/c1-3-29-21-9-4-6-18(12-21)15-25-11-10-22(14-17(25)2)16-24-30(27,28)26(22)20-8-5-7-19(23)13-20/h4-9,12-13,17,24H,3,10-11,14-16H2,1-2H3/t17-,22+/m0/s1 OXUOUFYCNLPKRL-HTAPYJJXSA-N 50398628 CHEMBL2177487 Beta-secretase 1 Homo sapiens 9500 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930746 163347652 CHEMBL2177487 ZINC95573408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220683 CC(C)Oc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C23H30FN3O3S/c1-17(2)30-22-9-4-6-19(12-22)15-26-11-10-23(14-18(26)3)16-25-31(28,29)27(23)21-8-5-7-20(24)13-21/h4-9,12-13,17-18,25H,10-11,14-16H2,1-3H3/t18-,23+/m0/s1 CYNJHNQWUQFBEA-FDDCHVKYSA-N 50398627 CHEMBL2177488 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44462737 163347651 CHEMBL2177488 ZINC68153158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220685 CCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C22H28FN3O3S/c1-3-29-21-9-4-6-18(12-21)15-25-11-10-22(14-17(25)2)16-24-30(27,28)26(22)20-8-5-7-19(23)13-20/h4-9,12-13,17,24H,3,10-11,14-16H2,1-2H3/t17-,22+/m0/s1 OXUOUFYCNLPKRL-HTAPYJJXSA-N 50398628 CHEMBL2177487 Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930746 163347652 CHEMBL2177487 ZINC95573408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220686 CC(C)Oc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C23H30FN3O3S/c1-17(2)30-22-9-4-6-19(12-22)15-26-11-10-23(14-18(26)3)16-25-31(28,29)27(23)21-8-5-7-20(24)13-21/h4-9,12-13,17-18,25H,10-11,14-16H2,1-3H3/t18-,23+/m0/s1 CYNJHNQWUQFBEA-FDDCHVKYSA-N 50398627 CHEMBL2177488 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44462737 163347651 CHEMBL2177488 ZINC68153158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220687 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)c(Cl)c1 InChI=1S/C21H25ClFN3O3S/c1-15-12-21(8-9-25(15)13-16-6-7-20(27)19(22)10-16)14-24(2)30(28,29)26(21)18-5-3-4-17(23)11-18/h3-7,10-11,15,27H,8-9,12-14H2,1-2H3/t15-,21+/m0/s1 OPALZHQMUWJZMW-YCRPNKLZSA-N 50398612 CHEMBL2177468 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930669 163347636 CHEMBL2177468 ZINC95576423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220689 CC(C)COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C24H32FN3O3S/c1-18(2)16-31-23-9-4-6-20(12-23)15-27-11-10-24(14-19(27)3)17-26-32(29,30)28(24)22-8-5-7-21(25)13-22/h4-9,12-13,18-19,26H,10-11,14-17H2,1-3H3/t19-,24+/m0/s1 GXSVXHVEJOLLKJ-YADARESESA-N 50398626 CHEMBL2177490 Beta-secretase 1 Homo sapiens 7100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930459 163347650 CHEMBL2177490 ZINC95572912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220690 C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(OC2CCCC2)c1 InChI=1S/C25H32FN3O3S/c1-19-16-25(18-27-33(30,31)29(25)22-8-5-7-21(26)15-22)12-13-28(19)17-20-6-4-11-24(14-20)32-23-9-2-3-10-23/h4-8,11,14-15,19,23,27H,2-3,9-10,12-13,16-18H2,1H3/t19-,25+/m0/s1 FHKOQJIBPGTNPG-UQBPGWFLSA-N 50398625 CHEMBL2177471 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930698 163347649 CHEMBL2177471 ZINC95576251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220691 CCOc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O InChI=1S/C23H30FN3O4S/c1-4-31-22-12-18(8-9-21(22)28)15-26-11-10-23(14-17(26)2)16-25(3)32(29,30)27(23)20-7-5-6-19(24)13-20/h5-9,12-13,17,28H,4,10-11,14-16H2,1-3H3/t17-,23+/m0/s1 DEFLCPSFZIHYEF-GAJHUEQPSA-N 50398611 CHEMBL2177469 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930736 163347635 CHEMBL2177469 ZINC95577500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220692 C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl InChI=1S/C26H27ClFN3O2S/c1-19-16-26(18-29-34(32,33)31(26)23-9-5-8-22(28)15-23)12-13-30(19)17-20-6-4-7-21(14-20)24-10-2-3-11-25(24)27/h2-11,14-15,19,29H,12-13,16-18H2,1H3/t19-,26+/m0/s1 ZNJPYGAZHWKTMZ-AFMDSPMNSA-N 50398624 CHEMBL2177472 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44514457 163347648 CHEMBL2177472 ZINC95571758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220693 CC(C)Oc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O InChI=1S/C24H32FN3O4S/c1-17(2)32-23-12-19(8-9-22(23)29)15-27-11-10-24(14-18(27)3)16-26(4)33(30,31)28(24)21-7-5-6-20(25)13-21/h5-9,12-13,17-18,29H,10-11,14-16H2,1-4H3/t18-,24+/m0/s1 UICGCQDWRACUBV-MHECFPHRSA-N 50398610 CHEMBL2177470 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0UP 4FM7 44514742 163347634 CHEMBL2177470 ZINC68199981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220694 CC(C)Oc1cccc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C24H32FN3O3S/c1-18(2)31-23-10-5-7-20(13-23)16-27-12-11-24(15-19(27)3)17-26(4)32(29,30)28(24)22-9-6-8-21(25)14-22/h5-10,13-14,18-19H,11-12,15-17H2,1-4H3/t19-,24+/m0/s1 CVPXZTQJPHYLAQ-YADARESESA-N 50398623 CHEMBL2177473 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0UQ 4FM8 58157954 163347647 CHEMBL2177473 ZINC68153166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220695 C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(OC2CCCC2)c1 InChI=1S/C25H32FN3O3S/c1-19-16-25(18-27-33(30,31)29(25)22-8-5-7-21(26)15-22)12-13-28(19)17-20-6-4-11-24(14-20)32-23-9-2-3-10-23/h4-8,11,14-15,19,23,27H,2-3,9-10,12-13,16-18H2,1H3/t19-,25+/m0/s1 FHKOQJIBPGTNPG-UQBPGWFLSA-N 50398625 CHEMBL2177471 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930698 163347649 CHEMBL2177471 ZINC95576251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220696 CCN1C[C@]2(CCN(Cc3cccc(OC(C)C)c3)[C@@H](C)C2)N(c2cccc(F)c2)S1(=O)=O InChI=1S/C25H34FN3O3S/c1-5-28-18-25(29(33(28,30)31)23-10-7-9-22(26)15-23)12-13-27(20(4)16-25)17-21-8-6-11-24(14-21)32-19(2)3/h6-11,14-15,19-20H,5,12-13,16-18H2,1-4H3/t20-,25+/m0/s1 WNTZNMGYVTUUFE-NBGIEHNGSA-N 50398629 CHEMBL2177474 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930779 163347653 CHEMBL2177474 ZINC95573387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220697 C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl InChI=1S/C26H27ClFN3O2S/c1-19-16-26(18-29-34(32,33)31(26)23-9-5-8-22(28)15-23)12-13-30(19)17-20-6-4-7-21(14-20)24-10-2-3-11-25(24)27/h2-11,14-15,19,29H,12-13,16-18H2,1H3/t19-,26+/m0/s1 ZNJPYGAZHWKTMZ-AFMDSPMNSA-N 50398624 CHEMBL2177472 Beta-secretase 1 Homo sapiens 710 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44514457 163347648 CHEMBL2177472 ZINC95571758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220698 CCCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C23H30FN3O3S/c1-3-12-30-22-9-4-6-19(13-22)16-26-11-10-23(15-18(26)2)17-25-31(28,29)27(23)21-8-5-7-20(24)14-21/h4-9,13-14,18,25H,3,10-12,15-17H2,1-2H3/t18-,23+/m0/s1 KMPNAVMNUBHZKH-FDDCHVKYSA-N 50398630 CHEMBL2177489 Beta-secretase 1 Homo sapiens 23100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930693 163347654 CHEMBL2177489 ZINC95572680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220699 CC(C)Oc1cccc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C24H32FN3O3S/c1-18(2)31-23-10-5-7-20(13-23)16-27-12-11-24(15-19(27)3)17-26(4)32(29,30)28(24)22-9-6-8-21(25)14-22/h5-10,13-14,18-19H,11-12,15-17H2,1-4H3/t19-,24+/m0/s1 CVPXZTQJPHYLAQ-YADARESESA-N 50398623 CHEMBL2177473 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0UQ 4FM8 58157954 163347647 CHEMBL2177473 ZINC68153166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220700 C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)c(Cl)c1 InChI=1S/C21H25ClFN3O3S/c1-15-12-21(8-9-25(15)13-16-6-7-20(27)19(22)10-16)14-24(2)30(28,29)26(21)18-5-3-4-17(23)11-18/h3-7,10-11,15,27H,8-9,12-14H2,1-2H3/t15-,21+/m0/s1 OPALZHQMUWJZMW-YCRPNKLZSA-N 50398612 CHEMBL2177468 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930669 163347636 CHEMBL2177468 ZINC95576423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220701 CC(C)COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 InChI=1S/C24H32FN3O3S/c1-18(2)16-31-23-9-4-6-20(12-23)15-27-11-10-24(14-19(27)3)17-26-32(29,30)28(24)22-8-5-7-21(25)13-22/h4-9,12-13,18-19,26H,10-11,14-17H2,1-3H3/t19-,24+/m0/s1 GXSVXHVEJOLLKJ-YADARESESA-N 50398626 CHEMBL2177490 Beta-secretase 1 Homo sapiens 11200 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930459 163347650 CHEMBL2177490 ZINC95572912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220702 CCOc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O InChI=1S/C23H30FN3O4S/c1-4-31-22-12-18(8-9-21(22)28)15-26-11-10-23(14-17(26)2)16-25(3)32(29,30)27(23)20-7-5-6-19(24)13-20/h5-9,12-13,17,28H,4,10-11,14-16H2,1-3H3/t17-,23+/m0/s1 DEFLCPSFZIHYEF-GAJHUEQPSA-N 50398611 CHEMBL2177469 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66930736 163347635 CHEMBL2177469 ZINC95577500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220703 CC(C)Oc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O InChI=1S/C24H32FN3O4S/c1-17(2)32-23-12-19(8-9-22(23)29)15-27-11-10-24(14-18(27)3)16-26(4)33(30,31)28(24)21-7-5-6-20(25)13-21/h5-9,12-13,17-18,29H,10-11,14-16H2,1-4H3/t18-,24+/m0/s1 UICGCQDWRACUBV-MHECFPHRSA-N 50398610 CHEMBL2177470 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm3009426 10.7270/Q22F7PK8 22984865 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0UP 4FM7 44514742 163347634 CHEMBL2177470 ZINC68199981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220705 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)C(=O)c1cccc(F)c1)c1cc(cs1)-c1ccc(F)c(c1)C#N InChI=1S/C25H19F2N5O2S/c1-31-23(34)19-11-32(22(33)15-3-2-4-18(26)8-15)13-25(19,30-24(31)29)21-9-17(12-35-21)14-5-6-20(27)16(7-14)10-28/h2-9,12,19H,11,13H2,1H3,(H2,29,30)/t19-,25-/m0/s1 KBBKQWJONKDJMI-DFBJGRDBSA-N 50398684 CHEMBL2178146 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457166 163347708 CHEMBL2178146 ZINC95579770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220706 CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)C(=O)c1cccc(F)c1 InChI=1S/C26H22FN5O2S/c1-3-5-16-8-18(12-29-11-16)19-10-22(35-14-19)26-15-32(23(33)17-6-4-7-20(27)9-17)13-21(26)24(34)31(2)25(28)30-26/h4,6-12,14,21H,13,15H2,1-2H3,(H2,28,30)/t21-,26-/m0/s1 ZFTDVQQMMHLYOK-LVXARBLLSA-N 50398683 CHEMBL2178147 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459034 163347707 CHEMBL2178147 ZINC34786914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225036 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 InChI=1S/C31H31BrN4O4/c1-31(2,3)40-30(38)36-17-15-35(16-18-36)26-14-13-22(32)20-25(26)34-28(37)24-19-21-9-7-8-12-27(21)39-29(24)33-23-10-5-4-6-11-23/h4-14,19-20H,15-18H2,1-3H3,(H,34,37)/b33-29- LVHTYRBZWSTDDV-IYOYZZHUSA-N 50432323 CHEMBL2346677 Beta-secretase 1 Homo sapiens 9810 ChEMBL 10.1016/j.bmc.2013.01.064 10.7270/Q2BV7J12 23480856 Edraki, N; Firuzi, O; Foroumadi, A; Miri, R; Madadkar-Sobhani, A; Khoshneviszadeh, M; Shafiee, A Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71584605 164161198 CHEMBL2346677 ZINC95603884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225040 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccn2)C1=O InChI=1S/C19H20N4O2/c1-18(2)11-19(16(24)23(3)17(20)22-19)13-10-12(7-8-15(13)25-18)14-6-4-5-9-21-14/h4-10H,11H2,1-3H3,(H2,20,22) DCRSZXJBBQEETJ-UHFFFAOYSA-N 50432540 CHEMBL2349502 Beta-secretase 1 Homo sapiens 2363 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624345 164161415 CHEMBL2349502 ZINC95603943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225041 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2)C1=O InChI=1S/C19H20N4O2/c1-18(2)11-19(16(24)23(3)17(20)22-19)14-9-12(6-7-15(14)25-18)13-5-4-8-21-10-13/h4-10H,11H2,1-3H3,(H2,20,22) IVIUBEQESHCKKY-UHFFFAOYSA-N 50432541 CHEMBL2349501 Beta-secretase 1 Homo sapiens 113 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321915 164161416 CHEMBL2349501 ZINC95605574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225042 CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1 PKQGPMLILUJFKM-LJQANCHMSA-N 50432513 CHEMBL2349467 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67236442 164161388 CHEMBL2349467 ZINC95605247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225043 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccncc2)C1=O InChI=1S/C19H20N4O2/c1-18(2)11-19(16(24)23(3)17(20)22-19)14-10-13(4-5-15(14)25-18)12-6-8-21-9-7-12/h4-10H,11H2,1-3H3,(H2,20,22) XFVFKAMOKMDRPU-UHFFFAOYSA-N 50432539 CHEMBL2349503 Beta-secretase 1 Homo sapiens 6270 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624469 164161414 CHEMBL2349503 ZINC95605319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225044 CC#Cc1cncc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C22H22N4O2/c1-5-6-14-9-16(12-24-11-14)15-7-8-18-17(10-15)22(13-21(2,3)28-18)19(27)26(4)20(23)25-22/h7-12H,13H2,1-4H3,(H2,23,25) VHEAOFTYJBIZJK-UHFFFAOYSA-N 50432537 CHEMBL2349506 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321947 164161412 CHEMBL2349506 ZINC95605787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225045 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(c2)C(F)(F)F)C1=O InChI=1S/C20H19F3N4O2/c1-18(2)10-19(16(28)27(3)17(24)26-19)14-7-11(4-5-15(14)29-18)12-6-13(9-25-8-12)20(21,22)23/h4-9H,10H2,1-3H3,(H2,24,26) KBLLATQOQMDKKW-UHFFFAOYSA-N 50432538 CHEMBL2349505 Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321727 164161413 CHEMBL2349505 ZINC95603951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225046 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C19H19FN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)13-9-11(6-7-14(13)26-18)12-5-4-8-22-15(12)20/h4-9H,10H2,1-3H3,(H2,21,23) DHZIIPKFSBNMSF-UHFFFAOYSA-N 50432536 CHEMBL2349507 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321924 164161411 CHEMBL2349507 ZINC95604937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225047 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)ccc2F)C1=O InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)14-8-11(4-7-16(14)27-19)13-9-12(21)5-6-15(13)22/h4-9H,10H2,1-3H3,(H2,23,24) OUCIAEQJBJEZJE-UHFFFAOYSA-N 50432497 CHEMBL2349491 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321837 164161372 CHEMBL2349491 ZINC95603520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225048 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccc2)C1=O InChI=1S/C20H21N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,21,22) QZWZVYCEECVWOE-UHFFFAOYSA-N 50432507 CHEMBL2349611 Beta-secretase 1 Homo sapiens 455 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321874 164161382 CHEMBL2349611 ZINC95601501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225049 CN1C(N)=NC2(CC(C)(C)Oc3ccc(Br)cc23)C1=O InChI=1S/C14H16BrN3O2/c1-13(2)7-14(11(19)18(3)12(16)17-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17) GCJNGEZDKLVQNN-UHFFFAOYSA-N 50432508 CHEMBL2349610 Beta-secretase 1 Homo sapiens 36830 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M4 4JOO 58423762 164161383 CHEMBL2349610 ZINC95601370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225050 CCOc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C22H25N3O3/c1-5-27-16-8-6-7-14(11-16)15-9-10-18-17(12-15)22(13-21(2,3)28-18)19(26)25(4)20(23)24-22/h6-12H,5,13H2,1-4H3,(H2,23,24) YXCUYUJWKOPTTE-UHFFFAOYSA-N 50432495 CHEMBL2349493 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321815 164161370 CHEMBL2349493 ZINC95601571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225051 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24) LASIJFPKQNWUQE-UHFFFAOYSA-N 50432505 CHEMBL2349613 Beta-secretase 1 Homo sapiens 94 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M6 4JPC 46178810 164161380 CHEMBL2349613 ZINC95605903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225052 CC(C)Oc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C23H27N3O3/c1-14(2)28-17-8-6-7-15(11-17)16-9-10-19-18(12-16)23(13-22(3,4)29-19)20(27)26(5)21(24)25-23/h6-12,14H,13H2,1-5H3,(H2,24,25) GCAUJEMXKJNLPV-UHFFFAOYSA-N 50432496 CHEMBL2349492 Beta-secretase 1 Homo sapiens 2864 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321898 164161371 CHEMBL2349492 ZINC95601058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225053 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O InChI=1S/C20H20ClN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23) MPQDZTDGJUCWQL-UHFFFAOYSA-N 50432506 CHEMBL2349612 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M5 4JP9 68322076 164161381 CHEMBL2349612 ZINC95605030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225054 COc1ccccc1-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)15-11-13(9-10-17(15)27-20)14-7-5-6-8-16(14)26-4/h5-11H,12H2,1-4H3,(H2,22,23) QWZYNEXSMYMWHV-UHFFFAOYSA-N 50432503 CHEMBL2349615 Beta-secretase 1 Homo sapiens 1701 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321900 164161378 CHEMBL2349615 ZINC95605071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225055 CSc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H23N3O2S/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)26-20)13-6-5-7-15(10-13)27-4/h5-11H,12H2,1-4H3,(H2,22,23) RWGJWBPBDZOMCK-UHFFFAOYSA-N 50432547 CHEMBL2349495 Beta-secretase 1 Homo sapiens 344 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321905 164161422 CHEMBL2349495 ZINC95602485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225056 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C(F)(F)F)C1=O InChI=1S/C21H20F3N3O2/c1-19(2)11-20(17(28)27(3)18(25)26-20)15-10-13(7-8-16(15)29-19)12-5-4-6-14(9-12)21(22,23)24/h4-10H,11H2,1-3H3,(H2,25,26) ZKNFURWSEBVNEE-UHFFFAOYSA-N 50432494 CHEMBL2349494 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322078 164161369 CHEMBL2349494 ZINC95603623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225057 COc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23) ZKJOZWMECIBIDN-UHFFFAOYSA-N 50432504 CHEMBL2349614 Beta-secretase 1 Homo sapiens 68 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71625880 164161379 CHEMBL2349614 ZINC95601888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225058 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)C1=O InChI=1S/C20H19Cl2N3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24) ZXOLJYUYPJRDLJ-UHFFFAOYSA-N 50432501 CHEMBL2349617 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624098 164161376 CHEMBL2349617 ZINC95603270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225059 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(F)c2)C1=O InChI=1S/C20H20FN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23) JFRILJOYQQJENP-UHFFFAOYSA-N 50432545 CHEMBL2349497 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322079 164161420 CHEMBL2349497 ZINC95603891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225060 COc1ccc(cc1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(7-10-17(16)27-20)13-5-8-15(26-4)9-6-13/h5-11H,12H2,1-4H3,(H2,22,23) BMASJJOJXPLURJ-UHFFFAOYSA-N 50432502 CHEMBL2349616 Beta-secretase 1 Homo sapiens 7197 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321895 164161377 CHEMBL2349616 ZINC95603190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225061 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(OC(F)F)c2)C1=O InChI=1S/C21H21F2N3O3/c1-20(2)11-21(17(27)26(3)19(24)25-21)15-10-13(7-8-16(15)29-20)12-5-4-6-14(9-12)28-18(22)23/h4-10,18H,11H2,1-3H3,(H2,24,25) VQNCDPHEWAYVDD-UHFFFAOYSA-N 50432546 CHEMBL2349496 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321802 164161421 CHEMBL2349496 ZINC95601563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225062 COc1ccc(F)c(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)15-9-12(5-8-17(15)28-20)14-10-13(27-4)6-7-16(14)22/h5-10H,11H2,1-4H3,(H2,23,24) CHEJNLZFCWFZMD-UHFFFAOYSA-N 50432499 CHEMBL2349619 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322072 164161374 CHEMBL2349619 ZINC95603579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225063 CC(C)COc1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C18H25N3O3/c1-11(2)9-23-12-6-7-14-13(8-12)18(10-17(3,4)24-14)15(22)21(5)16(19)20-18/h6-8,11H,9-10H2,1-5H3,(H2,19,20) KESHGUAKESOZTB-UHFFFAOYSA-N 50432543 CHEMBL2349499 Beta-secretase 1 Homo sapiens 431 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624343 164161418 CHEMBL2349499 ZINC95601011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225064 COc1cc(F)cc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)16-9-12(5-6-17(16)28-20)13-7-14(22)10-15(8-13)27-4/h5-10H,11H2,1-4H3,(H2,23,24) LMVAIXZOTSBTQU-UHFFFAOYSA-N 50432500 CHEMBL2349618 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321840 164161375 CHEMBL2349618 ZINC95605518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225065 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)C2CCCCC2)C1=O InChI=1S/C20H27N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H2,21,22) BEGDFQNYAHOPGF-UHFFFAOYSA-N 50432544 CHEMBL2349498 Beta-secretase 1 Homo sapiens 278 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322085 164161419 CHEMBL2349498 ZINC95604693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225066 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)N2CCCCC2)C1=O InChI=1S/C19H26N4O2/c1-18(2)12-19(16(24)22(3)17(20)21-19)14-11-13(7-8-15(14)25-18)23-9-5-4-6-10-23/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,20,21) PBWVAQPISDVCQW-UHFFFAOYSA-N 50432542 CHEMBL2349500 Beta-secretase 1 Homo sapiens 8661 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624344 164161417 CHEMBL2349500 ZINC95602816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225067 CN1C(N)=NC2(CC(C)(C)C(F)(F)c3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H19F2N5O/c1-17(2)9-18(15(27)26(3)16(22)25-18)14-6-11(12-7-23-10-24-8-12)4-5-13(14)19(17,20)21/h4-8,10H,9H2,1-3H3,(H2,22,25) VCWNHNVDZQGTBB-UHFFFAOYSA-N 50432524 CHEMBL2349482 Beta-secretase 1 Homo sapiens 1493 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53494828 164161399 CHEMBL2349482 ZINC95603308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225068 CN1C(N)=NC2(CC(C)(C)C(=O)c3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H19N5O2/c1-18(2)9-19(16(26)24(3)17(20)23-19)14-6-11(4-5-13(14)15(18)25)12-7-21-10-22-8-12/h4-8,10H,9H2,1-3H3,(H2,20,23) WLPRMBUVPLHGAI-UHFFFAOYSA-N 50432525 CHEMBL2349481 Beta-secretase 1 Homo sapiens 703 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684386 164161400 CHEMBL2349481 ZINC95601032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225069 CC1(C)CC2(N=C(N)N(CC(F)(F)F)C2=O)c2cc(ccc2O1)-c1cccc(Cl)c1 InChI=1S/C21H19ClF3N3O2/c1-19(2)10-20(17(29)28(18(26)27-20)11-21(23,24)25)15-9-13(6-7-16(15)30-19)12-4-3-5-14(22)8-12/h3-9H,10-11H2,1-2H3,(H2,26,27) GHARMVZBQPOGLS-UHFFFAOYSA-N 50432522 CHEMBL2349484 Beta-secretase 1 Homo sapiens 604 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322203 164161397 CHEMBL2349484 ZINC95601886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225070 CCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O InChI=1S/C21H22ClN3O2/c1-4-25-18(26)21(24-19(25)23)12-20(2,3)27-17-9-8-14(11-16(17)21)13-6-5-7-15(22)10-13/h5-11H,4,12H2,1-3H3,(H2,23,24) LVSDEOGFBMASFA-UHFFFAOYSA-N 50432523 CHEMBL2349483 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624688 164161398 CHEMBL2349483 ZINC95605794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225071 CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1 InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30) ZWVDHKMVDCTBOB-UHFFFAOYSA-N 50432520 CHEMBL2349486 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321923 164161395 CHEMBL2349486 ZINC95604143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225072 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(F)c2)C1=O InChI=1S/C19H19FN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23) VXJSSKWZJQSEGW-UHFFFAOYSA-N 50432535 CHEMBL2349606 Beta-secretase 1 Homo sapiens 145 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322184 164161410 CHEMBL2349606 ZINC95601547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225073 COCCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O InChI=1S/C22H24ClN3O3/c1-21(2)13-22(19(27)26(9-10-28-3)20(24)25-22)17-12-15(7-8-18(17)29-21)14-5-4-6-16(23)11-14/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25) MPMKSKFOWRGWNB-UHFFFAOYSA-N 50432521 CHEMBL2349485 Beta-secretase 1 Homo sapiens 123 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624689 164161396 CHEMBL2349485 ZINC95604402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225074 CC1(C)Cc2ccc(cc2C2(CSC(N)=N2)C1)-c1cncc(Cl)c1 InChI=1S/C19H20ClN3S/c1-18(2)7-13-4-3-12(14-5-15(20)9-22-8-14)6-16(13)19(10-18)11-24-17(21)23-19/h3-6,8-9H,7,10-11H2,1-2H3,(H2,21,23) GXHBPHNVZKIEND-UHFFFAOYSA-N 50432518 CHEMBL2349488 Beta-secretase 1 Homo sapiens 1994 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684245 164161393 CHEMBL2349488 ZINC95604720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225075 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccns2)C1=O InChI=1S/C17H18N4O2S/c1-16(2)9-17(14(22)21(3)15(18)20-17)11-8-10(4-5-12(11)23-16)13-6-7-19-24-13/h4-8H,9H2,1-3H3,(H2,18,20) IEVIHEIDGYLQMX-UHFFFAOYSA-N 50432533 CHEMBL2349608 Beta-secretase 1 Homo sapiens 501 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624579 164161408 CHEMBL2349608 ZINC95602078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225076 CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cncc(Cl)c1 InChI=1S/C19H20ClN3O/c1-18(2)7-13-4-3-12(14-5-15(20)9-22-8-14)6-16(13)19(10-18)11-24-17(21)23-19/h3-6,8-9H,7,10-11H2,1-2H3,(H2,21,23) HANZPKHAZCWEQZ-UHFFFAOYSA-N 50432519 CHEMBL2349487 Beta-secretase 1 Homo sapiens 789 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683198 164161394 CHEMBL2349487 ZINC95603484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225077 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C18H19N5O2/c1-17(2)9-18(15(24)23(3)16(19)22-18)13-6-11(4-5-14(13)25-17)12-7-20-10-21-8-12/h4-8,10H,9H2,1-3H3,(H2,19,22) QVGLQSOIBUMPNK-UHFFFAOYSA-N 50432534 CHEMBL2349607 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321854 164161409 CHEMBL2349607 ZINC95602985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225078 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24) YBGCQCRROHLRHP-UHFFFAOYSA-N 50432498 CHEMBL2349490 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321730 164161373 CHEMBL2349490 ZINC95603280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225079 CC1(C)Cc2ccc(cc2C2(CCSC(N)=N2)C1)-c1cncc(Cl)c1 InChI=1S/C20H22ClN3S/c1-19(2)9-14-4-3-13(15-7-16(21)11-23-10-15)8-17(14)20(12-19)5-6-25-18(22)24-20/h3-4,7-8,10-11H,5-6,9,12H2,1-2H3,(H2,22,24) NNOWXMJGJLIDEA-UHFFFAOYSA-N 50432517 CHEMBL2349489 Beta-secretase 1 Homo sapiens 5738 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683751 164161392 CHEMBL2349489 ZINC95604784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225080 CN1C(N)=NC2(CC(C)(C)Oc3ccc(NC(=O)c4ccc(C)o4)cc23)C1=O InChI=1S/C20H22N4O4/c1-11-5-7-15(27-11)16(25)22-12-6-8-14-13(9-12)20(10-19(2,3)28-14)17(26)24(4)18(21)23-20/h5-9H,10H2,1-4H3,(H2,21,23)(H,22,25) YSKSBTBSQASAMG-UHFFFAOYSA-N 50432532 CHEMBL2349609 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624580 164161407 CHEMBL2349609 ZINC95604414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225081 CC1(C)Cc2ccc(cc2[C@@]2(COC(N)=N2)C1)-c1cncnc1 InChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1 INXKKZAEXZKHNZ-SFHVURJKSA-N 50432509 CHEMBL2349471 Beta-secretase 1 Homo sapiens 317 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683659 164161384 CHEMBL2349471 ZINC95602820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225082 CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1 PKQGPMLILUJFKM-LJQANCHMSA-N 50432513 CHEMBL2349467 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67236442 164161388 CHEMBL2349467 ZINC95605247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225083 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)/t22-/m1/s1 KITXOXOZOIMSTQ-JOCHJYFZSA-N 50432512 CHEMBL2349468 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683709 164161387 CHEMBL2349468 ZINC72317425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225084 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)/t20-/m1/s1 QOSNPHUJYRNMGO-HXUWFJFHSA-N 50432511 CHEMBL2349469 Beta-secretase 1 Homo sapiens 8.9 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684147 164161386 CHEMBL2349469 ZINC95602933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225085 CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cncc(F)c1 InChI=1S/C19H20FN3O/c1-18(2)7-13-4-3-12(14-5-15(20)9-22-8-14)6-16(13)19(10-18)11-24-17(21)23-19/h3-6,8-9H,7,10-11H2,1-2H3,(H2,21,23) GVUGSHHDPCGBJP-UHFFFAOYSA-N 50432515 CHEMBL2349464 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683197 164161390 CHEMBL2349464 ZINC95601151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225086 CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cccnc1F InChI=1S/C19H20FN3O/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23) CWDVWPCLVARJIH-UHFFFAOYSA-N 50432514 CHEMBL2349465 Beta-secretase 1 Homo sapiens 316 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683200 164161389 CHEMBL2349465 ZINC95604379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225087 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 UPOMBIAVTOFWMY-LJQANCHMSA-N 50432510 CHEMBL2349470 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M7 4JPE 66684136 164161385 CHEMBL2349470 ZINC95603140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225088 CC1(C)Cc2ccc(cc2[C@@]2(COC(N)=N2)C1)-c1cncnc1 InChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1 INXKKZAEXZKHNZ-SFHVURJKSA-N 50432509 CHEMBL2349471 Beta-secretase 1 Homo sapiens 1348 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683659 164161384 CHEMBL2349471 ZINC95602820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225089 CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O InChI=1S/C21H21ClFN3O/c1-20(2)10-13-5-4-12(14-6-15(22)9-16(23)7-14)8-17(13)21(11-20)18(27)26(3)19(24)25-21/h4-9H,10-11H2,1-3H3,(H2,24,25) XCWNHCCHTWHNEC-UHFFFAOYSA-N 50432530 CHEMBL2349473 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684067 164161405 CHEMBL2349473 ZINC95601414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225090 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O InChI=1S/C20H19ClFN3OS/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24) GXJIAAQHNJAEQT-UHFFFAOYSA-N 50432531 CHEMBL2349472 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624581 164161406 CHEMBL2349472 ZINC95601160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225091 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)/t22-/m1/s1 KITXOXOZOIMSTQ-JOCHJYFZSA-N 50432512 CHEMBL2349468 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683709 164161387 CHEMBL2349468 ZINC72317425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225092 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C21H20N4OS/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24) BHAHIONIGQVZOZ-UHFFFAOYSA-N 50432529 CHEMBL2349474 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624685 164161404 CHEMBL2349474 ZINC95602520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225093 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C19H19ClN4OS/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23) CAPHIWIAVKZGOU-UHFFFAOYSA-N 50432528 CHEMBL2349477 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624686 164161403 CHEMBL2349477 ZINC95601809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225094 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)/t20-/m1/s1 QOSNPHUJYRNMGO-HXUWFJFHSA-N 50432511 CHEMBL2349469 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684147 164161386 CHEMBL2349469 ZINC95602933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225095 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C18H19N5OS/c1-17(2)9-18(15(24)23(3)16(19)22-18)13-6-11(4-5-14(13)25-17)12-7-20-10-21-8-12/h4-8,10H,9H2,1-3H3,(H2,19,22) IZLPDQBUWJIUNQ-UHFFFAOYSA-N 50432526 CHEMBL2349479 Beta-secretase 1 Homo sapiens 135 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624687 164161401 CHEMBL2349479 ZINC95601218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225096 CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C20H21ClN4O/c1-19(2)8-13-5-4-12(14-6-15(21)10-23-9-14)7-16(13)20(11-19)17(26)25(3)18(22)24-20/h4-7,9-10H,8,11H2,1-3H3,(H2,22,24) NDXIZMXUTQMJAP-UHFFFAOYSA-N 50432527 CHEMBL2349478 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53493353 164161402 CHEMBL2349478 ZINC95605866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225097 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 UPOMBIAVTOFWMY-LJQANCHMSA-N 50432510 CHEMBL2349470 Beta-secretase 1 Homo sapiens 138 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M7 4JPE 66684136 164161385 CHEMBL2349470 ZINC95603140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225098 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C19H19ClN4OS/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23) CAPHIWIAVKZGOU-UHFFFAOYSA-N 50432528 CHEMBL2349477 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624686 164161403 CHEMBL2349477 ZINC95601809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225099 CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C20H21ClN4O/c1-19(2)8-13-5-4-12(14-6-15(21)10-23-9-14)7-16(13)20(11-19)17(26)25(3)18(22)24-20/h4-7,9-10H,8,11H2,1-3H3,(H2,22,24) NDXIZMXUTQMJAP-UHFFFAOYSA-N 50432527 CHEMBL2349478 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53493353 164161402 CHEMBL2349478 ZINC95605866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225100 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C18H19N5OS/c1-17(2)9-18(15(24)23(3)16(19)22-18)13-6-11(4-5-14(13)25-17)12-7-20-10-21-8-12/h4-8,10H,9H2,1-3H3,(H2,19,22) IZLPDQBUWJIUNQ-UHFFFAOYSA-N 50432526 CHEMBL2349479 Beta-secretase 1 Homo sapiens 96 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624687 164161401 CHEMBL2349479 ZINC95601218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225101 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 UPOMBIAVTOFWMY-LJQANCHMSA-N 50432510 CHEMBL2349470 Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M7 4JPE 66684136 164161385 CHEMBL2349470 ZINC95603140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225102 CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O InChI=1S/C21H21ClFN3O/c1-20(2)10-13-5-4-12(14-6-15(22)9-16(23)7-14)8-17(13)21(11-20)18(27)26(3)19(24)25-21/h4-9H,10-11H2,1-3H3,(H2,24,25) XCWNHCCHTWHNEC-UHFFFAOYSA-N 50432530 CHEMBL2349473 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684067 164161405 CHEMBL2349473 ZINC95601414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225103 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C21H20N4OS/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24) BHAHIONIGQVZOZ-UHFFFAOYSA-N 50432529 CHEMBL2349474 Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624685 164161404 CHEMBL2349474 ZINC95602520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225104 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)/t22-/m1/s1 KITXOXOZOIMSTQ-JOCHJYFZSA-N 50432512 CHEMBL2349468 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683709 164161387 CHEMBL2349468 ZINC72317425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225105 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)/t20-/m1/s1 QOSNPHUJYRNMGO-HXUWFJFHSA-N 50432511 CHEMBL2349469 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684147 164161386 CHEMBL2349469 ZINC95602933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225106 CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cncc(F)c1 InChI=1S/C19H20FN3O/c1-18(2)7-13-4-3-12(14-5-15(20)9-22-8-14)6-16(13)19(10-18)11-24-17(21)23-19/h3-6,8-9H,7,10-11H2,1-2H3,(H2,21,23) GVUGSHHDPCGBJP-UHFFFAOYSA-N 50432515 CHEMBL2349464 Beta-secretase 1 Homo sapiens 5840 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683197 164161390 CHEMBL2349464 ZINC95601151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225107 CN1C(N)=NC2(CC1=O)CC(C)(C)Cc1ccc(cc21)-c1cncc(Cl)c1 InChI=1S/C21H23ClN4O/c1-20(2)8-14-5-4-13(15-6-16(22)11-24-10-15)7-17(14)21(12-20)9-18(27)26(3)19(23)25-21/h4-7,10-11H,8-9,12H2,1-3H3,(H2,23,25) DYJMRYUXJYQJSH-UHFFFAOYSA-N 50432516 CHEMBL2349463 Beta-secretase 1 Homo sapiens 32863 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683677 164161391 CHEMBL2349463 ZINC95603628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225108 CC1(C)Cc2ccc(cc2[C@@]2(COC(N)=N2)C1)-c1cncnc1 InChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1 INXKKZAEXZKHNZ-SFHVURJKSA-N 50432509 CHEMBL2349471 Beta-secretase 1 Homo sapiens 4892 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683659 164161384 CHEMBL2349471 ZINC95602820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210639 CCCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C31H41F2N3O4/c1-2-3-4-8-11-36-19-23(15-29(36)37)31(39)35-28(14-22-12-24(32)16-25(33)13-22)30(38)27-17-26(18-34-27)40-20-21-9-6-5-7-10-21/h5-7,9-10,12-13,16,23,26-28,30,34,38H,2-4,8,11,14-15,17-20H2,1H3,(H,35,39)/t23-,26+,27+,28-,30+/m0/s1 IKODLZLZNMQHGK-PWOSISDISA-N 50374248 CHEMBL403593 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455753 160853338 CHEMBL403593 ZINC29129864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210640 CCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C28H35F2N3O4/c1-2-8-33-16-20(12-26(33)34)28(36)32-25(11-19-9-21(29)13-22(30)10-19)27(35)24-14-23(15-31-24)37-17-18-6-4-3-5-7-18/h3-7,9-10,13,20,23-25,27,31,35H,2,8,11-12,14-17H2,1H3,(H,32,36)/t20-,23+,24+,25-,27+/m0/s1 WDMHJLIMBHMWJK-XXKHLWARSA-N 50374235 CHEMBL258351 Beta-secretase 1 Homo sapiens 900 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455802 160853325 CHEMBL258351 ZINC29130025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210641 COCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C29H37F2N3O5/c1-38-9-5-8-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)39-18-19-6-3-2-4-7-19/h2-4,6-7,10-11,14,21,24-26,28,32,36H,5,8-9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 DVTGRUNPALAJMO-SZWLPIDJSA-N 50374247 CHEMBL255336 Beta-secretase 1 Homo sapiens 2950 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455721 160853337 CHEMBL255336 ZINC29129764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210642 CCCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C37H45F2N3O4/c1-2-3-10-15-42-23-32(31(37(42)45)18-25-11-6-4-7-12-25)36(44)41-34(19-27-16-28(38)20-29(39)17-27)35(43)33-21-30(22-40-33)46-24-26-13-8-5-9-14-26/h4-9,11-14,16-17,20,30-35,40,43H,2-3,10,15,18-19,21-24H2,1H3,(H,41,44)/t30-,31+,32-,33-,34+,35-/m1/s1 HKTSYBSUGBDMKQ-BPDVJUFUSA-N 50374237 CHEMBL255400 Beta-secretase 1 Homo sapiens 293 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455462 160853327 CHEMBL255400 ZINC29129118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210643 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(CC2CC2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C29H35F2N3O4/c30-22-8-20(9-23(31)12-22)10-26(33-29(37)21-11-27(35)34(16-21)15-18-6-7-18)28(36)25-13-24(14-32-25)38-17-19-4-2-1-3-5-19/h1-5,8-9,12,18,21,24-26,28,32,36H,6-7,10-11,13-17H2,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 AVZGOZFFWXGHQU-SZWLPIDJSA-N 50374232 CHEMBL402070 Beta-secretase 1 Homo sapiens 155 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455750 160853322 CHEMBL402070 ZINC29129857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210644 CCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C29H37F2N3O5/c1-2-38-9-8-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)39-18-19-6-4-3-5-7-19/h3-7,10-11,14,21,24-26,28,32,36H,2,8-9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 SGFGBINKHKVLNN-SZWLPIDJSA-N 50374230 CHEMBL401717 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455695 160853320 CHEMBL401717 ZINC29129687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210645 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C30H33F2N3O4S/c31-22-9-20(10-23(32)13-22)11-27(29(37)26-14-24(15-33-26)39-18-19-5-2-1-3-6-19)34-30(38)21-12-28(36)35(16-21)17-25-7-4-8-40-25/h1-10,13,21,24,26-27,29,33,37H,11-12,14-18H2,(H,34,38)/t21-,24+,26+,27-,29+/m0/s1 QNAUIQFUNUANGG-YHYSZDIKSA-N 50374228 CHEMBL402754 Beta-secretase 1 Homo sapiens 303 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455567 160853318 CHEMBL402754 ZINC29129347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210646 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H34F3N3O4/c33-24-10-21(11-25(34)14-24)12-29(31(40)28-15-26(16-36-28)42-19-20-6-2-1-3-7-20)37-32(41)23-13-30(39)38(18-23)17-22-8-4-5-9-27(22)35/h1-11,14,23,26,28-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,26+,28+,29-,31+/m0/s1 MOYZPMYCZRHSLE-AMUPCTJBSA-N 50374241 CHEMBL255602 Beta-secretase 1 Homo sapiens 365 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455601 160853331 CHEMBL255602 ZINC29129439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210647 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C31H34F2N4O4/c32-23-10-21(11-24(33)14-23)12-28(30(39)27-15-26(16-35-27)41-19-20-6-2-1-3-7-20)36-31(40)22-13-29(38)37(17-22)18-25-8-4-5-9-34-25/h1-11,14,22,26-28,30,35,39H,12-13,15-19H2,(H,36,40)/t22-,26+,27+,28-,30+/m0/s1 GLGMFTLBJXUZQC-DBXUVXQGSA-N 50374250 CHEMBL404839 Beta-secretase 1 Homo sapiens 312 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455602 160853340 CHEMBL404839 ZINC29129441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210648 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H34F3N3O4/c33-24-8-6-20(7-9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-21-4-2-1-3-5-21/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/m0/s1 OECJCYNBTSNVFN-XVLIYFGKSA-N 50374243 CHEMBL403241 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455666 160853333 CHEMBL403241 ZINC29129612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210649 CCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C36H43F2N3O4/c1-2-3-14-41-22-31(30(36(41)44)17-24-10-6-4-7-11-24)35(43)40-33(18-26-15-27(37)19-28(38)16-26)34(42)32-20-29(21-39-32)45-23-25-12-8-5-9-13-25/h4-13,15-16,19,29-34,39,42H,2-3,14,17-18,20-23H2,1H3,(H,40,43)/t29-,30+,31-,32-,33+,34-/m1/s1 SQPZARAMVNZQOD-GIUJWDCDSA-N 50374245 CHEMBL403109 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455516 160853335 CHEMBL403109 ZINC29129209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210650 Cc1cccc(CN2C[C@H](CC2=O)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)c1 InChI=1S/C33H37F2N3O4/c1-21-6-5-9-23(10-21)18-38-19-25(14-31(38)39)33(41)37-30(13-24-11-26(34)15-27(35)12-24)32(40)29-16-28(17-36-29)42-20-22-7-3-2-4-8-22/h2-12,15,25,28-30,32,36,40H,13-14,16-20H2,1H3,(H,37,41)/t25-,28+,29+,30-,32+/m0/s1 SHYZDIAEEXDRKD-RYUYIOONSA-N 50374242 CHEMBL402307 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455639 160853332 CHEMBL402307 ZINC29129540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210651 CCCCN1C[C@H]([C@H](CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H43F2N3O4/c1-3-5-12-37-19-27(26(9-4-2)32(37)40)31(39)36-29(15-22-13-23(33)16-24(34)14-22)30(38)28-17-25(18-35-28)41-20-21-10-7-6-8-11-21/h6-8,10-11,13-14,16,25-30,35,38H,3-5,9,12,15,17-20H2,1-2H3,(H,36,39)/t25-,26+,27-,28-,29+,30-/m1/s1 JZNBSMOUXMVJJI-IVPISEAZSA-N 50374226 CHEMBL404369 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455514 160853316 CHEMBL404369 ZINC29129207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210652 CCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C33H45F2N3O4/c1-4-5-11-38-19-28(27(33(38)41)12-21(2)3)32(40)37-30(15-23-13-24(34)16-25(35)14-23)31(39)29-17-26(18-36-29)42-20-22-9-7-6-8-10-22/h6-10,13-14,16,21,26-31,36,39H,4-5,11-12,15,17-20H2,1-3H3,(H,37,40)/t26-,27+,28-,29-,30+,31-/m1/s1 SQTISKBGLRIMMR-ISYGQMQOSA-N 50374225 CHEMBL403108 Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455515 160853315 CHEMBL403108 ZINC29129208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210653 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccc(F)c2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H34F3N3O4/c33-24-8-4-7-21(9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-20-5-2-1-3-6-20/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/m0/s1 TWWDDBWWIJXNSA-XVLIYFGKSA-N 50374246 CHEMBL402374 Beta-secretase 1 Homo sapiens 338 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455638 160853336 CHEMBL402374 ZINC29129538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210654 CCCC(CCC)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H43F2N3O4/c1-3-8-26(9-4-2)37-19-23(15-30(37)38)32(40)36-29(14-22-12-24(33)16-25(34)13-22)31(39)28-17-27(18-35-28)41-20-21-10-6-5-7-11-21/h5-7,10-13,16,23,26-29,31,35,39H,3-4,8-9,14-15,17-20H2,1-2H3,(H,36,40)/t23-,27+,28+,29-,31+/m0/s1 OKPGXAGXHSHEHL-XVLIYFGKSA-N 50374221 CHEMBL255540 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455754 160853311 CHEMBL255540 ZINC29129866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210655 CCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C27H33F2N3O4/c1-2-32-15-19(11-25(32)33)27(35)31-24(10-18-8-20(28)12-21(29)9-18)26(34)23-13-22(14-30-23)36-16-17-6-4-3-5-7-17/h3-9,12,19,22-24,26,30,34H,2,10-11,13-16H2,1H3,(H,31,35)/t19-,22+,23+,24-,26+/m0/s1 IZHWDAXBTFCLHJ-WNGMIWKSSA-N 50374236 CHEMBL410555 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455803 160853326 CHEMBL410555 ZINC29130027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210656 CCCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C34H47F2N3O4/c1-4-5-9-12-39-20-29(28(34(39)42)13-22(2)3)33(41)38-31(16-24-14-25(35)17-26(36)15-24)32(40)30-18-27(19-37-30)43-21-23-10-7-6-8-11-23/h6-8,10-11,14-15,17,22,27-32,37,40H,4-5,9,12-13,16,18-21H2,1-3H3,(H,38,41)/t27-,28+,29-,30-,31+,32-/m1/s1 HZSLONNESJAHNY-IDPSDNDTSA-N 50374222 CHEMBL256679 Beta-secretase 1 Homo sapiens 365 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455467 160853312 CHEMBL256679 ZINC29129123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210657 CCCCCN1C[C@H]([C@H](C2CC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C33H43F2N3O4/c1-2-3-7-12-38-19-27(30(33(38)41)23-10-11-23)32(40)37-29(15-22-13-24(34)16-25(35)14-22)31(39)28-17-26(18-36-28)42-20-21-8-5-4-6-9-21/h4-6,8-9,13-14,16,23,26-31,36,39H,2-3,7,10-12,15,17-20H2,1H3,(H,37,40)/t26-,27-,28-,29+,30+,31-/m1/s1 HHFXRPPCGYBTGG-FNBYOJNGSA-N 50374224 CHEMBL403050 Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455486 160853314 CHEMBL403050 ZINC29129160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210658 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C33H34F5N3O4/c34-25-10-22(11-26(35)14-25)12-29(31(43)28-15-27(16-39-28)45-19-21-4-2-1-3-5-21)40-32(44)23-13-30(42)41(18-23)17-20-6-8-24(9-7-20)33(36,37)38/h1-11,14,23,27-29,31,39,43H,12-13,15-19H2,(H,40,44)/t23-,27+,28+,29-,31+/m0/s1 GVKAPLGJCSIXNQ-XVLIYFGKSA-N 50374251 CHEMBL402373 Beta-secretase 1 Homo sapiens 46000 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455636 160853341 CHEMBL402373 ZINC29129534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210659 CCCCCN1C[C@H]([C@H](C2CCCC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C35H47F2N3O4/c1-2-3-9-14-40-21-29(32(35(40)43)25-12-7-8-13-25)34(42)39-31(17-24-15-26(36)18-27(37)16-24)33(41)30-19-28(20-38-30)44-22-23-10-5-4-6-11-23/h4-6,10-11,15-16,18,25,28-33,38,41H,2-3,7-9,12-14,17,19-22H2,1H3,(H,39,42)/t28-,29-,30-,31+,32+,33-/m1/s1 GEZOBYGDQAVHMG-WGNKJVRNSA-N 50374223 CHEMBL403253 Beta-secretase 1 Homo sapiens 295 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455487 160853313 CHEMBL403253 ZINC29129161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210660 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 GZHSLBYVXGDJDF-NXVJRICRSA-N 50372198 CHEMBL270359 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS7 2QMD 11556254 160851299 CHEMBL270359 ZINC16052459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210661 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 YDCNYSQITCUGST-FEFKUCBWSA-N 50372181 CHEMBL403727 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS9 2QMF 11614083 160851282 CHEMBL403727 ZINC16052458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210662 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 YDCNYSQITCUGST-FEFKUCBWSA-N 50372181 CHEMBL403727 Beta-secretase 1 Homo sapiens 165 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS9 2QMF 11614083 160851282 CHEMBL403727 ZINC16052458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210663 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1 KYHYNSQLYDXSNK-MXWGZHRFSA-N 50374253 CHEMBL403195 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SC6 2QMG 11578047 160853343 CHEMBL403195 ZINC14209296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210664 CCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C29H37F2N3O4/c1-2-3-9-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)38-18-19-7-5-4-6-8-19/h4-8,10-11,14,21,24-26,28,32,36H,2-3,9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 MWFQJCIZICLSIJ-SZWLPIDJSA-N 50374234 CHEMBL429505 Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455775 160853324 CHEMBL429505 ZINC29129950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210665 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 GZHSLBYVXGDJDF-NXVJRICRSA-N 50372198 CHEMBL270359 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50372198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50372198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS7 2QMD 11556254 160851299 CHEMBL270359 ZINC16052459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210666 CC(C)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C28H35F2N3O4/c1-17(2)33-15-20(11-26(33)34)28(36)32-25(10-19-8-21(29)12-22(30)9-19)27(35)24-13-23(14-31-24)37-16-18-6-4-3-5-7-18/h3-9,12,17,20,23-25,27,31,35H,10-11,13-16H2,1-2H3,(H,32,36)/t20-,23+,24+,25-,27+/m0/s1 CANJJDJMKOMPRM-XXKHLWARSA-N 50374249 CHEMBL258350 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455798 160853339 CHEMBL258350 ZINC29130014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210667 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1 KYHYNSQLYDXSNK-MXWGZHRFSA-N 50374253 CHEMBL403195 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SC6 2QMG 11578047 160853343 CHEMBL403195 ZINC14209296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210668 CCCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C30H39F2N3O5/c1-2-9-39-10-8-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-6-4-3-5-7-20/h3-7,11-12,15,22,25-27,29,33,37H,2,8-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1 GECHFZJHIDABEZ-NAWJDLSISA-N 50374229 CHEMBL403850 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455691 160853319 CHEMBL403850 ZINC29129680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210669 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H35F2N3O4/c33-25-11-23(12-26(34)15-25)13-29(31(39)28-16-27(17-35-28)41-20-22-9-5-2-6-10-22)36-32(40)24-14-30(38)37(19-24)18-21-7-3-1-4-8-21/h1-12,15,24,27-29,31,35,39H,13-14,16-20H2,(H,36,40)/t24-,27+,28+,29-,31+/m0/s1 AMAMHDYGHUPWNL-BLEPWVTGSA-N 50374244 CHEMBL271249 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455692 160853334 CHEMBL271249 ZINC29129681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210670 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccnc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C31H34F2N4O4/c32-24-9-22(10-25(33)13-24)11-28(30(39)27-14-26(16-35-27)41-19-20-5-2-1-3-6-20)36-31(40)23-12-29(38)37(18-23)17-21-7-4-8-34-15-21/h1-10,13,15,23,26-28,30,35,39H,11-12,14,16-19H2,(H,36,40)/t23-,26+,27+,28-,30+/m0/s1 IMKXYXBHFRRSCC-PWOSISDISA-N 50374240 CHEMBL270822 Beta-secretase 1 Homo sapiens 219 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455573 160853330 CHEMBL270822 ZINC29129359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210671 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2nccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C29H32F2N4O4S/c30-21-8-19(9-22(31)12-21)10-25(28(37)24-13-23(14-33-24)39-17-18-4-2-1-3-5-18)34-29(38)20-11-27(36)35(15-20)16-26-32-6-7-40-26/h1-9,12,20,23-25,28,33,37H,10-11,13-17H2,(H,34,38)/t20-,23+,24+,25-,28+/m0/s1 MHYMQEOZSXVCAM-JGYHPKCFSA-N 50374227 CHEMBL430039 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455544 160853317 CHEMBL430039 ZINC29129273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210672 CCCCN1C[C@H]([C@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C31H41F2N3O4/c1-3-5-11-36-18-26(25(4-2)31(36)39)30(38)35-28(14-21-12-22(32)15-23(33)13-21)29(37)27-16-24(17-34-27)40-19-20-9-7-6-8-10-20/h6-10,12-13,15,24-29,34,37H,3-5,11,14,16-19H2,1-2H3,(H,35,38)/t24-,25+,26-,27-,28+,29-/m1/s1 SOSILAYXEBGSER-XBGOEWRMSA-N 50374238 CHEMBL257433 Beta-secretase 1 Homo sapiens 142 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455543 160853328 CHEMBL257433 ZINC29129268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210673 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C32H34ClF2N3O4/c33-24-8-6-20(7-9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-21-4-2-1-3-5-21/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/m0/s1 LHJBSUUDUWKCBX-XVLIYFGKSA-N 50374252 CHEMBL401993 Beta-secretase 1 Homo sapiens 18800 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455667 160853342 CHEMBL401993 ZINC29129614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210674 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccco2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C30H33F2N3O5/c31-22-9-20(10-23(32)13-22)11-27(29(37)26-14-25(15-33-26)40-18-19-5-2-1-3-6-19)34-30(38)21-12-28(36)35(16-21)17-24-7-4-8-39-24/h1-10,13,21,25-27,29,33,37H,11-12,14-18H2,(H,34,38)/t21-,25+,26+,27-,29+/m0/s1 YFSSMGIKETYJOY-CUCBPSOYSA-N 50374239 CHEMBL404682 Beta-secretase 1 Homo sapiens 225 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455570 160853329 CHEMBL404682 ZINC29129353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210675 CCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C30H39F2N3O4/c1-2-3-7-10-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)39-19-20-8-5-4-6-9-20/h4-6,8-9,11-12,15,22,25-27,29,33,37H,2-3,7,10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1 NYPJXBOLQXWFKC-NAWJDLSISA-N 50374233 CHEMBL428870 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455772 160853323 CHEMBL428870 ZINC29129942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50210676 CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 InChI=1S/C30H39F2N3O5/c1-2-39-10-6-9-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-7-4-3-5-8-20/h3-5,7-8,11-12,15,22,25-27,29,33,37H,2,6,9-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1 HMAQOZURTYPAJX-NAWJDLSISA-N 50374231 CHEMBL428952 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2007.10.053 10.7270/Q2P84CRH 17980584 Iserloh, U; Pan, J; Stamford, AW; Kennedy, ME; Zhang, Q; Zhang, L; Parker, EM; McHugh, NA; Favreau, L; Strickland, C; Voigt, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44455724 160853321 CHEMBL428952 ZINC29129769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212882 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC(C)=O)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C29H40F2N4O3/c1-18(36)34-25(13-20-11-23(30)15-24(31)12-20)26(38)16-33-29(10-9-27(32-17-29)35-19(2)37)22-8-6-7-21(14-22)28(3,4)5/h6-8,11-12,14-15,25-27,32-33,38H,9-10,13,16-17H2,1-5H3,(H,34,36)(H,35,37)/t25-,26+,27-,29-/m0/s1 NGDBRADCUXHMDA-UMNYJUJISA-N 50302869 CHEMBL583688::N-((2S,3R)-4-((3R,6S)-6-acetamido-3-(3-tert-butylphenyl)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486963 104157230 CHEMBL583688 ZINC49722786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212883 C[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H39F2N3O2/c1-18-9-10-28(17-31-18,22-8-6-7-21(14-22)27(3,4)5)32-16-26(35)25(33-19(2)34)13-20-11-23(29)15-24(30)12-20/h6-8,11-12,14-15,18,25-26,31-32,35H,9-10,13,16-17H2,1-5H3,(H,33,34)/t18-,25-,26+,28-/m0/s1 HOYROTIEWOWVBR-JXRAHNLSSA-N 50302856 CHEMBL584731::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-methylpiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486961 104157217 CHEMBL584731 ZINC45303345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212884 CS[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H39F2N3O2S/c1-18(34)33-24(13-19-11-22(29)15-23(30)12-19)25(35)16-32-28(10-9-26(36-5)31-17-28)21-8-6-7-20(14-21)27(2,3)4/h6-8,11-12,14-15,24-26,31-32,35H,9-10,13,16-17H2,1-5H3,(H,33,34)/t24-,25+,26-,28-/m0/s1 FHHVBAOKGVENQJ-RVUATISTSA-N 50302857 CHEMBL569608::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(methylthio)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486962 104157218 CHEMBL569608 ZINC45254191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212885 CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(N)ncc2C1)c1cccc(c1)C(C)(C)C InChI=1S/C30H37F2N5O2/c1-18(38)36-26(12-19-10-23(31)14-24(32)11-19)27(39)17-35-30(22-7-5-6-21(13-22)29(2,3)4)9-8-25-20(15-30)16-34-28(33)37-25/h5-7,10-11,13-14,16,26-27,35,39H,8-9,12,15,17H2,1-4H3,(H,36,38)(H2,33,34,37) LUWOLSNFQZQQJX-UHFFFAOYSA-N 50378121 CHEMBL609988 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56657222 160857204 CHEMBL609988 ZINC49792984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212886 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/m0/s1 HDMDKNWBBJEOCB-LOSJGSFVSA-N 50302839 CHEMBL570556::N-((2S,3R)-4-(4-(3-tert-butylphenyl)tetrahydro-2H-pyran-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10005121 104157200 CHEMBL570556 ZINC45256893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212887 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CO)CC1)c1cccc(c1)C(C)(C)C InChI=1S/C29H40F2N2O3/c1-19(35)33-26(14-21-12-24(30)16-25(31)13-21)27(36)17-32-29(10-8-20(18-34)9-11-29)23-7-5-6-22(15-23)28(2,3)4/h5-7,12-13,15-16,20,26-27,32,34,36H,8-11,14,17-18H2,1-4H3,(H,33,35)/t20-,26-,27+,29-/m0/s1 UITAFDSBPXSWKK-JXWHJRSQSA-N 50302853 CHEMBL569609::trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-(hydroxymethyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487004 104157214 CHEMBL569609 ZINC45254193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212888 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C29H39F2N3O3/c1-19(35)33-26(14-21-12-24(30)16-25(31)13-21)27(37)17-32-29(10-7-11-34(18-29)20(2)36)23-9-6-8-22(15-23)28(3,4)5/h6,8-9,12-13,15-16,26-27,32,37H,7,10-11,14,17-18H2,1-5H3,(H,33,35)/t26-,27+,29?/m0/s1 PMWAUAFQTSGIKR-ZDCXKQOISA-N 50302847 CHEMBL584121::N-((2S,3R)-4-(1-acetyl-3-(3-tert-butylphenyl)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486988 104157208 CHEMBL584121 ZINC45318039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212889 COC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C29H40F2N4O4/c1-18(36)34-24(13-19-11-22(30)15-23(31)12-19)25(37)16-33-29(10-9-26(32-17-29)35-27(38)39-5)21-8-6-7-20(14-21)28(2,3)4/h6-8,11-12,14-15,24-26,32-33,37H,9-10,13,16-17H2,1-5H3,(H,34,36)(H,35,38)/t24-,25+,26-,29-/m0/s1 HKHJJBDBPGVVKN-BVXNIFABSA-N 50302865 CHEMBL571432::methyl(2S,5R)-5-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-5-(3-tert-butylphenyl)piperidin-2-ylcarbamate Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486983 104157226 CHEMBL571432 ZINC49695410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212890 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccs2)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C31H40F2N4O2S/c1-20(38)36-26(15-21-13-24(32)17-25(33)14-21)27(39)18-35-31(23-8-5-7-22(16-23)30(2,3)4)11-10-28(34-19-31)37-29-9-6-12-40-29/h5-9,12-14,16-17,26-28,34-35,37,39H,10-11,15,18-19H2,1-4H3,(H,36,38)/t26-,27+,28-,31-/m0/s1 CJNFIXOAWVPWLI-NFAPWKBDSA-N 50302871 CHEMBL582817::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(thiophen-2-ylamino)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 85 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487001 104157232 CHEMBL582817 ZINC49722881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212891 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2ccccn2)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C32H41F2N5O2/c1-21(40)38-27(16-22-14-25(33)18-26(34)15-22)28(41)19-37-32(24-9-7-8-23(17-24)31(2,3)4)12-11-30(36-20-32)39-29-10-5-6-13-35-29/h5-10,13-15,17-18,27-28,30,36-37,41H,11-12,16,19-20H2,1-4H3,(H,35,39)(H,38,40)/t27-,28+,30-,32-/m0/s1 BSJBZWVNDMOBNC-OVKDWURHSA-N 50302870 CHEMBL571433::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(pyridin-2-ylamino)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486984 104157231 CHEMBL571433 ZINC49695452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212892 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(=O)OCc1ccccc1)c1cccc(c1)C(C)(C)C InChI=1S/C35H43F2N3O4/c1-24(41)39-31(18-26-16-29(36)20-30(37)17-26)32(42)21-38-35(28-13-8-12-27(19-28)34(2,3)4)14-9-15-40(23-35)33(43)44-22-25-10-6-5-7-11-25/h5-8,10-13,16-17,19-20,31-32,38,42H,9,14-15,18,21-23H2,1-4H3,(H,39,41)/t31-,32+,35?/m0/s1 AYXDUHYECACATH-RKZKBVABSA-N 50302846 CHEMBL570165::benzyl 3-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-3-(3-tert-butylphenyl)piperidine-1-carboxylate Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486981 104157207 CHEMBL570165 ZINC49694386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212893 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCNC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H37F2N3O2/c1-18(33)32-24(13-19-11-22(28)15-23(29)12-19)25(34)16-31-27(9-6-10-30-17-27)21-8-5-7-20(14-21)26(2,3)4/h5,7-8,11-12,14-15,24-25,30-31,34H,6,9-10,13,16-17H2,1-4H3,(H,32,33)/t24-,25+,27?/m0/s1 ACQZNRIKGPGXLO-QDSWCARHSA-N 50302844 CHEMBL565297::N-((2S,3R)-4-(4-(3-tert-butylphenyl)-2-oxopiperidin-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486934 104157205 CHEMBL565297 ZINC45245404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212894 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(N)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N4O3/c1-18(35)33-24(13-19-11-22(29)15-23(30)12-19)25(36)16-32-28(9-6-10-34(17-28)26(31)37)21-8-5-7-20(14-21)27(2,3)4/h5,7-8,11-12,14-15,24-25,32,36H,6,9-10,13,16-17H2,1-4H3,(H2,31,37)(H,33,35)/t24-,25+,28?/m0/s1 XONCCTICAQCLTM-UJAFYSHSSA-N 50302848 3-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-3-(3-tert-butylphenyl)piperidine-1-carboxamide::CHEMBL570519 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487000 104157209 CHEMBL570519 ZINC45259220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212895 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)C#N)c1cccc(c1)C(C)(C)C InChI=1S/C28H36F2N4O2/c1-18(35)34-25(12-19-10-22(29)14-23(30)11-19)26(36)16-33-28(9-8-24(15-31)32-17-28)21-7-5-6-20(13-21)27(2,3)4/h5-7,10-11,13-14,24-26,32-33,36H,8-9,12,16-17H2,1-4H3,(H,34,35)/t24-,25+,26-,28+/m1/s1 ULNLDQZWKVRAMC-ASUDMDKOSA-N 50302860 CHEMBL572290::N-((2S,3R)-4-((3R,6R)-3-(3-tert-butylphenyl)-6-cyanopiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486982 104157221 CHEMBL572290 ZINC45286290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212896 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](O)CC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N2O3/c1-18(33)32-25(14-19-12-22(29)16-23(30)13-19)26(35)17-31-28(10-8-24(34)9-11-28)21-7-5-6-20(15-21)27(2,3)4/h5-7,12-13,15-16,24-26,31,34-35H,8-11,14,17H2,1-4H3,(H,32,33)/t24-,25-,26+,28-/m0/s1 GJZNABCEATUZGN-NAVOWQOKSA-N 50302852 CHEMBL570745::trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-hydroxycyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486960 104157213 CHEMBL570745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212897 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H36F2N2O2/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(10-5-6-11-27)21-9-7-8-20(15-21)26(2,3)4/h7-9,12-13,15-16,24-25,30,33H,5-6,10-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/m0/s1 LWWLSQSVRJIOFD-LOSJGSFVSA-N 50302840 CHEMBL571833::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclopentylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486998 104157201 CHEMBL571833 ZINC45284952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212898 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(O)C1)c1cccc(c1)C(C)(C)C InChI=1S/C27H37F2N3O3/c1-18(33)31-24(13-19-11-22(28)15-23(29)12-19)25(34)16-30-27(9-6-10-32(35)17-27)21-8-5-7-20(14-21)26(2,3)4/h5,7-8,11-12,14-15,24-25,30,34-35H,6,9-10,13,16-17H2,1-4H3,(H,31,33)/t24-,25+,27?/m0/s1 XWEJEFXIDWSXKS-QDSWCARHSA-N 50302845 CHEMBL572082::N-((2S,3R)-4-(3-(3-tert-butylphenyl)-1-hydroxypiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486980 104157206 CHEMBL572082 ZINC45287262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212899 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(=O)CC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H36F2N2O3/c1-18(33)32-25(14-19-12-22(29)16-23(30)13-19)26(35)17-31-28(10-8-24(34)9-11-28)21-7-5-6-20(15-21)27(2,3)4/h5-7,12-13,15-16,25-26,31,35H,8-11,14,17H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 KINUYGKZQPWLLK-IZZNHLLZSA-N 50302850 CHEMBL566826::N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-oxocyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486952 104157211 CHEMBL566826 ZINC34587607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212900 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOC1)c1cccc(c1)-n1cccn1 InChI=1S/C25H28F2N4O3/c1-17(32)30-23(12-18-10-20(26)14-21(27)11-18)24(33)15-28-25(6-9-34-16-25)19-4-2-5-22(13-19)31-8-3-7-29-31/h2-5,7-8,10-11,13-14,23-24,28,33H,6,9,12,15-16H2,1H3,(H,30,32)/t23-,24+,25?/m0/s1 UETRWAZKCGRCEM-ZXABPTRBSA-N 50302836 CHEMBL572048::N-((2S,3R)-4-(3-(3-(1H-pyrazol-1-yl)phenyl)tetrahydrofuran-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486999 104157197 CHEMBL572048 ZINC45283973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212901 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CCC(NO)=NC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H36F2N4O3/c1-17(34)32-23(12-18-10-21(28)14-22(29)11-18)24(35)15-31-27(9-8-25(33-36)30-16-27)20-7-5-6-19(13-20)26(2,3)4/h5-7,10-11,13-14,23-24,31,35-36H,8-9,12,15-16H2,1-4H3,(H,30,33)(H,32,34)/t23-,24+,27-/m0/s1 MUGPTOFDMJRFRI-XFAFFCHDSA-N 50302862 CHEMBL566603::N-((2S,3R)-4-((R)-3-(3-tert-butylphenyl)-6-(hydroxyimino)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 8.8 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486950 104157223 CHEMBL566603 ZINC45254030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212902 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(C)=NC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H37F2N3O2/c1-18-9-10-28(17-31-18,22-8-6-7-21(14-22)27(3,4)5)32-16-26(35)25(33-19(2)34)13-20-11-23(29)15-24(30)12-20/h6-8,11-12,14-15,25-26,32,35H,9-10,13,16-17H2,1-5H3,(H,33,34)/t25-,26+,28?/m0/s1 VTVMOVOVPHLITD-VEPNZUSMSA-N 50302855 CHEMBL584547::N-((2S,3R)-4-(3-(3-tert-butylphenyl)-6-methylenepiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91934180 104157216 CHEMBL584547 ZINC45317261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212917 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CCO)CC1)c1cccc(c1)C(C)(C)C InChI=1S/C30H42F2N2O3/c1-20(36)34-27(16-22-14-25(31)18-26(32)15-22)28(37)19-33-30(11-8-21(9-12-30)10-13-35)24-7-5-6-23(17-24)29(2,3)4/h5-7,14-15,17-18,21,27-28,33,35,37H,8-13,16,19H2,1-4H3,(H,34,36)/t21-,27-,28+,30-/m0/s1 DKZWNBKNKVMUBG-MAWXQBKQSA-N 50302854 CHEMBL583136::trans-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-(2-hydroxyethyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486939 104157215 CHEMBL583136 ZINC45315598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212918 CO[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H39F2N3O3/c1-18(34)33-24(13-19-11-22(29)15-23(30)12-19)25(35)16-32-28(10-9-26(36-5)31-17-28)21-8-6-7-20(14-21)27(2,3)4/h6-8,11-12,14-15,24-26,31-32,35H,9-10,13,16-17H2,1-5H3,(H,33,34)/t24-,25+,26-,28-/m0/s1 DOJVZNNOIXNFGO-RVUATISTSA-N 50302859 CHEMBL571419::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-methoxypiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486975 104157220 CHEMBL571419 ZINC45262074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212919 CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(C)ncc2C1)c1cccc(c1)C(C)(C)C InChI=1S/C31H38F2N4O2/c1-19-34-17-22-16-31(10-9-27(22)36-19,24-8-6-7-23(14-24)30(3,4)5)35-18-29(39)28(37-20(2)38)13-21-11-25(32)15-26(33)12-21/h6-8,11-12,14-15,17,28-29,35,39H,9-10,13,16,18H2,1-5H3,(H,37,38) XDGLKEPBKNWNMG-UHFFFAOYSA-N 50378122 CHEMBL1163020 Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11497497 160857205 CHEMBL1163020 ZINC49802504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212920 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)C(F)(F)F)c1cccc(c1)C(C)(C)C InChI=1S/C28H36F5N3O2/c1-17(37)36-23(12-18-10-21(29)14-22(30)11-18)24(38)15-35-27(9-8-25(34-16-27)28(31,32)33)20-7-5-6-19(13-20)26(2,3)4/h5-7,10-11,13-14,23-25,34-35,38H,8-9,12,15-16H2,1-4H3,(H,36,37)/t23-,24+,25+,27-/m0/s1 GDQKDPHAGNWWNT-FCRYVSRXSA-N 50302858 CHEMBL570762::N-((2S,3R)-4-((3R,6R)-3-(3-tert-butylphenyl)-6-(trifluoromethyl)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486972 104157219 CHEMBL570762 ZINC49694670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212921 CON[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H40F2N4O3/c1-18(35)33-24(13-19-11-22(29)15-23(30)12-19)25(36)16-32-28(10-9-26(31-17-28)34-37-5)21-8-6-7-20(14-21)27(2,3)4/h6-8,11-12,14-15,24-26,31-32,34,36H,9-10,13,16-17H2,1-5H3,(H,33,35)/t24-,25+,26-,28-/m0/s1 GWYUTDIWKSTOGJ-RVUATISTSA-N 50302864 CHEMBL570982::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(methoxyamino)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486973 104157225 CHEMBL570982 ZINC45260964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212922 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC=O)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N4O3/c1-18(36)34-24(12-19-10-22(29)14-23(30)11-19)25(37)15-33-28(9-8-26(31-16-28)32-17-35)21-7-5-6-20(13-21)27(2,3)4/h5-7,10-11,13-14,17,24-26,31,33,37H,8-9,12,15-16H2,1-4H3,(H,32,35)(H,34,36)/t24-,25+,26-,28-/m0/s1 DMGYNFKHNDPBJQ-RVUATISTSA-N 50302866 CHEMBL572047::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-formamidopiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486996 104157227 CHEMBL572047 C06049 ZINC45283969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212923 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)N(O)C(C)=O)c1cccc(c1)C(C)(C)C InChI=1S/C29H40F2N4O4/c1-18(36)34-25(13-20-11-23(30)15-24(31)12-20)26(38)16-33-29(10-9-27(32-17-29)35(39)19(2)37)22-8-6-7-21(14-22)28(3,4)5/h6-8,11-12,14-15,25-27,32-33,38-39H,9-10,13,16-17H2,1-5H3,(H,34,36)/t25-,26+,27-,29-/m0/s1 RQLOSVDEZVHARO-UMNYJUJISA-N 50302868 CHEMBL565337::N-((2S,5R)-5-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-5-(3-tert-butylphenyl)piperidin-2-yl)-N-hydroxyacetamide Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486945 104157229 CHEMBL565337 ZINC49670067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212924 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(CC[C@H](O)CC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N2O3/c1-18(33)32-25(14-19-12-22(29)16-23(30)13-19)26(35)17-31-28(10-8-24(34)9-11-28)21-7-5-6-20(15-21)27(2,3)4/h5-7,12-13,15-16,24-26,31,34-35H,8-11,14,17H2,1-4H3,(H,32,33)/t24-,25-,26+,28+/m0/s1 GJZNABCEATUZGN-WDTRASESSA-N 50302851 CHEMBL569390::cis-N-((2S,3R)-4-(1-(3-tert-butylphenyl)-4-hydroxycyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 9200 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486960 104157212 CHEMBL569390 ZINC45254768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212925 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccnc2)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C32H41F2N5O2/c1-21(40)38-28(15-22-13-25(33)17-26(34)14-22)29(41)19-37-32(24-8-5-7-23(16-24)31(2,3)4)11-10-30(36-20-32)39-27-9-6-12-35-18-27/h5-9,12-14,16-18,28-30,36-37,39,41H,10-11,15,19-20H2,1-4H3,(H,38,40)/t28-,29+,30-,32-/m0/s1 CNZCEJXBVKWORI-ASCAXBQDSA-N 50302872 CHEMBL565550::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(pyridin-3-ylamino)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486946 104157233 CHEMBL565550 ZINC49670133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212926 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCOC1)c1cccc(c1)-n1cccn1 InChI=1S/C26H30F2N4O3/c1-18(33)31-24(13-19-11-21(27)15-22(28)12-19)25(34)16-29-26(7-3-10-35-17-26)20-5-2-6-23(14-20)32-9-4-8-30-32/h2,4-6,8-9,11-12,14-15,24-25,29,34H,3,7,10,13,16-17H2,1H3,(H,31,33)/t24-,25+,26?/m0/s1 WYAJCDWGUPQGAC-LHJLODMPSA-N 50302837 CHEMBL572313::N-((2S,3R)-4-(3-(3-(1H-pyrazol-1-yl)phenyl)tetrahydro-2H-pyran-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486991 104157198 CHEMBL572313 ZINC45283678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212927 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 QXNFPOMRKODYSK-IZZNHLLZSA-N 50302838 CHEMBL572081::N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 842 3N4L,4I0J 45486979 104157199 CHEMBL572081 ZINC45286908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212928 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(=O)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H35F2N3O3/c1-17(33)32-23(12-18-10-21(28)14-22(29)11-18)24(34)15-31-27(9-8-25(35)30-16-27)20-7-5-6-19(13-20)26(2,3)4/h5-7,10-11,13-14,23-24,31,34H,8-9,12,15-16H2,1-4H3,(H,30,35)(H,32,33)/t23-,24+,27?/m0/s1 SEFLYBDZBZOYDE-RWIDKHAYSA-N 50302849 CHEMBL566810::N-((2S,3R)-4-(3-(3-tert-butylphenyl)-6-oxopiperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486943 104157210 CHEMBL566810 ZINC45245004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212929 CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2[nH]ncc2C1)c1cccc(c1)C(C)(C)C InChI=1S/C29H36F2N4O2/c1-18(36)34-26(12-19-10-23(30)14-24(31)11-19)27(37)17-32-29(9-8-25-20(15-29)16-33-35-25)22-7-5-6-21(13-22)28(2,3)4/h5-7,10-11,13-14,16,26-27,32,37H,8-9,12,15,17H2,1-4H3,(H,33,35)(H,34,36) BAILJXDQIBWAPX-UHFFFAOYSA-N 50378120 CHEMBL609987 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2LI 3IVI 11613166 160857203 CHEMBL609987 ZINC35937034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212930 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)S(C)(=O)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H39F2N3O4S/c1-18(34)33-24(13-19-11-22(29)15-23(30)12-19)25(35)16-32-28(10-9-26(31-17-28)38(5,36)37)21-8-6-7-20(14-21)27(2,3)4/h6-8,11-12,14-15,24-26,31-32,35H,9-10,13,16-17H2,1-5H3,(H,33,34)/t24-,25+,26-,28-/m0/s1 QMCDLWMHCHEUMU-RVUATISTSA-N 50302861 CHEMBL567026::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(methylsulfonyl)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486944 104157222 CHEMBL567026 ZINC49670158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212933 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCNC(=O)C1)c1cccc(c1)C(C)(C)C InChI=1S/C27H35F2N3O3/c1-17(33)32-23(12-18-10-21(28)14-22(29)11-18)24(34)16-31-27(8-9-30-25(35)15-27)20-7-5-6-19(13-20)26(2,3)4/h5-7,10-11,13-14,23-24,31,34H,8-9,12,15-16H2,1-4H3,(H,30,35)(H,32,33)/t23-,24+,27?/m0/s1 ZPLVBVXJWLOCEE-RWIDKHAYSA-N 50302843 CHEMBL570298::N-((2S,3R)-4-(4-(3-tert-butylphenyl)-2-oxopiperidin-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486959 104157204 CHEMBL570298 ZINC45254266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213958 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C36H37F3N4O5S/c1-49(47,48)43(29-14-6-3-7-15-29)31-21-27(20-30(22-31)42-17-9-16-34(42)45)35(46)41-32(19-25-10-4-2-5-11-25)33(44)24-40-23-26-12-8-13-28(18-26)36(37,38)39/h2-8,10-15,18,20-22,32-33,40,44H,9,16-17,19,23-24H2,1H3,(H,41,46)/t32-,33+/m0/s1 OCHDDAGWDCOFQM-JHOUSYSJSA-N 50322886 CHEMBL1210363::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10439665 117644207 CHEMBL1210363 ZINC58655449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213959 CCS(=O)(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H36F3N3O6S2/c1-3-48(45,46)30-20-26(19-29(21-30)40(47(2,43)44)28-15-8-5-9-16-28)33(42)39-31(18-24-11-6-4-7-12-24)32(41)23-38-22-25-13-10-14-27(17-25)34(35,36)37/h4-17,19-21,31-32,38,41H,3,18,22-23H2,1-2H3,(H,39,42)/t31-,32+/m0/s1 JDPTZHWBCXFTAC-AJQTZOPKSA-N 50322915 3-(ethylsulfonyl)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210364 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11765311 117644236 CHEMBL1210364 ZINC58468457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213960 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(Cl)cc1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C33H41ClN4O5S/c1-23(32(40)36-27-13-7-4-8-14-27)35-22-31(39)30(20-24-10-5-3-6-11-24)37-33(41)25-12-9-15-29(21-25)38(44(2,42)43)28-18-16-26(34)17-19-28/h3,5-6,9-12,15-19,21,23,27,30-31,35,39H,4,7-8,13-14,20,22H2,1-2H3,(H,36,40)(H,37,41)/t23-,30-,31+/m0/s1 FPRUVWLYPRNZSM-IZDARVJKSA-N 50322888 3-(N-(4-chlorophenyl)methylsulfonamido)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210347 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10054920 117644209 CHEMBL1210347 ZINC58468479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213961 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H36F3N3O5S/c1-3-45-30-20-26(19-29(21-30)40(46(2,43)44)28-15-8-5-9-16-28)33(42)39-31(18-24-11-6-4-7-12-24)32(41)23-38-22-25-13-10-14-27(17-25)34(35,36)37/h4-17,19-21,31-32,38,41H,3,18,22-23H2,1-2H3,(H,39,42)/t31-,32+/m0/s1 JKURHCLTNUAEBX-AJQTZOPKSA-N 50322883 3-ethoxy-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210360 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10078059 117644204 CHEMBL1210360 ZINC03987503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213962 CS(=O)(=O)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)c1ccccn1 InChI=1S/C31H31F3N4O4S/c1-43(41,42)38(29-15-5-6-16-36-29)26-14-8-12-24(19-26)30(40)37-27(18-22-9-3-2-4-10-22)28(39)21-35-20-23-11-7-13-25(17-23)31(32,33)34/h2-17,19,27-28,35,39H,18,20-21H2,1H3,(H,37,40)/t27-,28+/m0/s1 NLBLQQZAHZCPKB-WUFINQPMSA-N 50322905 CHEMBL1210351::CHEMBL1788375::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-2-yl)methylsulfonamido)benzamide::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-2-yl)methylsulfonamido)benzamide hydrobromide Beta-secretase 1 Homo sapiens 4570 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9986236 117644226 CHEMBL1210351CHEMBL1788375 ZINC58594138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213963 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C34H41F3N4O5S/c1-23(32(43)39-27-13-7-4-8-14-27)38-22-31(42)30(20-24-10-5-3-6-11-24)40-33(44)25-12-9-15-29(21-25)41(47(2,45)46)28-18-16-26(17-19-28)34(35,36)37/h3,5-6,9-12,15-19,21,23,27,30-31,38,42H,4,7-8,13-14,20,22H2,1-2H3,(H,39,43)(H,40,44)/t23-,30-,31+/m0/s1 JNYDNVYRYGLEFM-IZDARVJKSA-N 50322889 CHEMBL1210346::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-(4-(trifluoromethyl)phenyl)methylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11765081 117644210 CHEMBL1210346 ZINC58598756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213964 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H47N5O5S/c1-4-36-29-21-27(22-31(23-29)40(46(3,44)45)30-18-12-7-13-19-30)35(43)39-32(20-26-14-8-5-9-15-26)33(41)24-37-25(2)34(42)38-28-16-10-6-11-17-28/h5,7-9,12-15,18-19,21-23,25,28,32-33,36-37,41H,4,6,10-11,16-17,20,24H2,1-3H3,(H,38,42)(H,39,43)/t25-,32-,33+/m0/s1 SMMANAWVXZZNER-DZMJNENTSA-N 50322882 CHEMBL1210359::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AA9 2XFK 9939419 117644203 CHEMBL1210359 ZINC03987493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213966 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C36H37F3N4O5S/c1-49(47,48)43(29-14-6-3-7-15-29)31-21-27(20-30(22-31)42-17-9-16-34(42)45)35(46)41-32(19-25-10-4-2-5-11-25)33(44)24-40-23-26-12-8-13-28(18-26)36(37,38)39/h2-8,10-15,18,20-22,32-33,40,44H,9,16-17,19,23-24H2,1H3,(H,41,46)/t32-,33+/m0/s1 OCHDDAGWDCOFQM-JHOUSYSJSA-N 50322886 CHEMBL1210363::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10439665 117644207 CHEMBL1210363 ZINC58655449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213967 COc1ccc(cc1)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O InChI=1S/C34H44N4O6S/c1-24(33(40)36-27-14-8-5-9-15-27)35-23-32(39)31(21-25-11-6-4-7-12-25)37-34(41)26-13-10-16-29(22-26)38(45(3,42)43)28-17-19-30(44-2)20-18-28/h4,6-7,10-13,16-20,22,24,27,31-32,35,39H,5,8-9,14-15,21,23H2,1-3H3,(H,36,40)(H,37,41)/t24-,31-,32+/m0/s1 WZNIQJLAQZGRNG-JPBRBXQBSA-N 50322890 CHEMBL1210345::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-(4-methoxyphenyl)methylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10077830 117644211 CHEMBL1210345 ZINC58583585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213968 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H36F3N3O5S/c1-3-45-30-20-26(19-29(21-30)40(46(2,43)44)28-15-8-5-9-16-28)33(42)39-31(18-24-11-6-4-7-12-24)32(41)23-38-22-25-13-10-14-27(17-25)34(35,36)37/h4-17,19-21,31-32,38,41H,3,18,22-23H2,1-2H3,(H,39,42)/t31-,32+/m0/s1 JKURHCLTNUAEBX-AJQTZOPKSA-N 50322883 3-ethoxy-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210360 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10078059 117644204 CHEMBL1210360 ZINC03987503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213969 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cccc(c1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-15-7-4-8-16-28)36-23-32(40)31(20-25-11-5-3-6-12-25)38-34(42)27-14-10-18-30(21-27)39(45(2,43)44)29-17-9-13-26(19-29)22-35/h3,5-6,9-14,17-19,21,24,28,31-32,36,40H,4,7-8,15-16,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,31-,32+/m0/s1 KHMCHMYWEFEWGH-JPBRBXQBSA-N 50322891 3-(N-(3-cyanophenyl)methylsulfonamido)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210344 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10371854 117644212 CHEMBL1210344 ZINC58638886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213970 CC(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H38F3N3O4S/c1-24(2)27-19-28(21-31(20-27)41(46(3,44)45)30-15-8-5-9-16-30)34(43)40-32(18-25-11-6-4-7-12-25)33(42)23-39-22-26-13-10-14-29(17-26)35(36,37)38/h4-17,19-21,24,32-33,39,42H,18,22-23H2,1-3H3,(H,40,43)/t32-,33+/m0/s1 IZGCSYKADOJJHC-JHOUSYSJSA-N 50322884 CHEMBL1210361::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-isopropyl-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10326962 117644205 CHEMBL1210361 ZINC03987507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213971 CC(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H38F3N3O4S/c1-24(2)27-19-28(21-31(20-27)41(46(3,44)45)30-15-8-5-9-16-30)34(43)40-32(18-25-11-6-4-7-12-25)33(42)23-39-22-26-13-10-14-29(17-26)35(36,37)38/h4-17,19-21,24,32-33,39,42H,18,22-23H2,1-3H3,(H,40,43)/t32-,33+/m0/s1 IZGCSYKADOJJHC-JHOUSYSJSA-N 50322884 CHEMBL1210361::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-isopropyl-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 126 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10326962 117644205 CHEMBL1210361 ZINC03987507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213972 COc1cccc(c1)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O InChI=1S/C34H44N4O6S/c1-24(33(40)36-27-15-8-5-9-16-27)35-23-32(39)31(20-25-12-6-4-7-13-25)37-34(41)26-14-10-17-28(21-26)38(45(3,42)43)29-18-11-19-30(22-29)44-2/h4,6-7,10-14,17-19,21-22,24,27,31-32,35,39H,5,8-9,15-16,20,23H2,1-3H3,(H,36,40)(H,37,41)/t24-,31-,32+/m0/s1 FRUZRFQTENRJJT-JPBRBXQBSA-N 50322892 CHEMBL1210343::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-(3-methoxyphenyl)methylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10461757 117644213 CHEMBL1210343 ZINC58581804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213973 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-16-7-4-8-17-28)36-23-32(40)30(20-25-12-5-3-6-13-25)38-34(42)26-15-11-18-29(21-26)39(45(2,43)44)31-19-10-9-14-27(31)22-35/h3,5-6,9-15,18-19,21,24,28,30,32,36,40H,4,7-8,16-17,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,30-,32+/m0/s1 HVUSENQTTSYTSM-WJIXKWODSA-N 50322893 3-(N-(2-cyanophenyl)methylsulfonamido)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210342 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9986500 117644214 CHEMBL1210342 ZINC58594237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213974 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H47N5O5S/c1-4-36-29-21-27(22-31(23-29)40(46(3,44)45)30-18-12-7-13-19-30)35(43)39-32(20-26-14-8-5-9-15-26)33(41)24-37-25(2)34(42)38-28-16-10-6-11-17-28/h5,7-9,12-15,18-19,21-23,25,28,32-33,36-37,41H,4,6,10-11,16-17,20,24H2,1-3H3,(H,38,42)(H,39,43)/t25-,32-,33+/m0/s1 SMMANAWVXZZNER-DZMJNENTSA-N 50322882 CHEMBL1210359::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AA9 2XFK 9939419 117644203 CHEMBL1210359 ZINC03987493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213975 COc1ccccc1N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O InChI=1S/C34H44N4O6S/c1-24(33(40)36-27-16-8-5-9-17-27)35-23-31(39)29(21-25-13-6-4-7-14-25)37-34(41)26-15-12-18-28(22-26)38(45(3,42)43)30-19-10-11-20-32(30)44-2/h4,6-7,10-15,18-20,22,24,27,29,31,35,39H,5,8-9,16-17,21,23H2,1-3H3,(H,36,40)(H,37,41)/t24-,29-,31+/m0/s1 LWYYRFSTHDYJTQ-YKZUFBCQSA-N 50322894 CHEMBL1210341::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-(2-methoxyphenyl)methylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 126 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10258545 117644215 CHEMBL1210341 ZINC58468462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213976 CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C32H32F3N3O4S/c1-43(41,42)38(27-15-6-3-7-16-27)28-17-9-13-25(20-28)31(40)37-29(19-23-10-4-2-5-11-23)30(39)22-36-21-24-12-8-14-26(18-24)32(33,34)35/h2-18,20,29-30,36,39H,19,21-22H2,1H3,(H,37,40)/t29-,30+/m0/s1 VACCKGGBGSUGJZ-XZWHSSHBSA-N 50322895 CHEMBL1210340::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10100288 117644216 CHEMBL1210340 ZINC58581801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213977 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)N(C)Cc1ccccc1)C(=O)NC1CCCCC1 InChI=1S/C34H44N4O5S/c1-25(33(40)36-29-18-10-5-11-19-29)35-23-32(39)31(21-26-13-6-3-7-14-26)37-34(41)28-17-12-20-30(22-28)44(42,43)38(2)24-27-15-8-4-9-16-27/h3-4,6-9,12-17,20,22,25,29,31-32,35,39H,5,10-11,18-19,21,23-24H2,1-2H3,(H,36,40)(H,37,41)/t25-,31-,32+/m0/s1 HRCZMIYCTNBPAO-FWGANANOSA-N 50322896 3-(N-benzyl-N-methylsulfamoyl)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210339 Beta-secretase 1 Homo sapiens 41000 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863030 117644217 CHEMBL1210339 ZINC58581797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213978 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C(=O)NC1CCCCC1 InChI=1S/C33H41N3O5S/c1-24(32(38)35-28-17-9-4-10-18-28)34-22-31(37)30(20-25-12-5-2-6-13-25)36-33(39)27-16-11-19-29(21-27)42(40,41)23-26-14-7-3-8-15-26/h2-3,5-8,11-16,19,21,24,28,30-31,34,37H,4,9-10,17-18,20,22-23H2,1H3,(H,35,38)(H,36,39)/t24-,30-,31+/m0/s1 AFGVBPYOFPPOQR-RJSONGRPSA-N 50322897 3-(benzylsulfonyl)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210338 Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863029 117644218 CHEMBL1210338 ZINC58594232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213981 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213983 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 InChI=1S/C33H41N3O5S/c1-24(32(38)35-28-16-7-3-8-17-28)34-22-31(37)30(21-25-12-5-2-6-13-25)36-33(39)27-15-11-14-26(20-27)23-42(40,41)29-18-9-4-10-19-29/h2,4-6,9-15,18-20,24,28,30-31,34,37H,3,7-8,16-17,21-23H2,1H3,(H,35,38)(H,36,39)/t24-,30-,31+/m0/s1 YFNHYENPPGZMJV-RJSONGRPSA-N 50322898 CHEMBL1210337::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(phenylsulfonylmethyl)benzamide Beta-secretase 1 Homo sapiens 44000 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863028 117644219 CHEMBL1210337 ZINC58582061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213984 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 InChI=1S/C33H41N3O6S/c1-24(32(38)35-28-17-9-4-10-18-28)34-22-31(37)30(20-25-12-5-2-6-13-25)36-33(39)27-16-11-19-29(21-27)42-43(40,41)23-26-14-7-3-8-15-26/h2-3,5-8,11-16,19,21,24,28,30-31,34,37H,4,9-10,17-18,20,22-23H2,1H3,(H,35,38)(H,36,39)/t24-,30-,31+/m0/s1 NWJNHJWSZAHOBB-RJSONGRPSA-N 50322899 3-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)phenyl phenylmethanesulfonate::CHEMBL1210336 Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863027 117644220 CHEMBL1210336 ZINC58468460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213985 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 InChI=1S/C33H42N4O5S/c1-24(32(39)35-28-17-9-4-10-18-28)34-22-31(38)30(20-25-12-5-2-6-13-25)36-33(40)27-16-11-19-29(21-27)37-43(41,42)23-26-14-7-3-8-15-26/h2-3,5-8,11-16,19,21,24,28,30-31,34,37-38H,4,9-10,17-18,20,22-23H2,1H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1 AAEYBQRVLJBANX-RJSONGRPSA-N 50322900 CHEMBL1210335::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 5500 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863026 117644221 CHEMBL1210335 ZINC58651317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213986 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 InChI=1S/C32H40N4O5S/c1-23(31(38)34-26-15-7-3-8-16-26)33-22-30(37)29(20-24-12-5-2-6-13-24)35-32(39)25-14-11-17-27(21-25)36-42(40,41)28-18-9-4-10-19-28/h2,4-6,9-14,17-19,21,23,26,29-30,33,36-37H,3,7-8,15-16,20,22H2,1H3,(H,34,38)(H,35,39)/t23-,29-,30+/m0/s1 FSQREXFFFRKDCI-KEPSJGTLSA-N 50322901 CHEMBL1210334::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(phenylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 7900 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863025 117644222 CHEMBL1210334 ZINC58594229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213987 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(Cc1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C34H44N4O5S/c1-25(33(40)36-29-18-10-5-11-19-29)35-23-32(39)31(21-26-13-6-3-7-14-26)37-34(41)28-17-12-20-30(22-28)38(44(2,42)43)24-27-15-8-4-9-16-27/h3-4,6-9,12-17,20,22,25,29,31-32,35,39H,5,10-11,18-19,21,23-24H2,1-2H3,(H,36,40)(H,37,41)/t25-,31-,32+/m0/s1 YLWBAAGWRILMKX-FWGANANOSA-N 50322902 3-(N-benzylmethylsulfonamido)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210333 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863024 117644223 CHEMBL1210333 ZINC58581527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213988 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1 PSSKPAZTPVDDNS-RJSONGRPSA-N 50322877 CHEMBL1210329::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XFI 2XFI 10416248 117644198 CHEMBL1210329 ZINC58603088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213989 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(C1CCCCC1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C33H48N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,6-7,12-15,20,22,24,27-28,30-31,34,38H,4-5,8-11,16-19,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1 QICXKWLEAQCSEK-RJSONGRPSA-N 50322903 CHEMBL1210332::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-cyclohexylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863023 117644224 CHEMBL1210332 ZINC58581525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213990 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(C(C)=O)c1ccccc1)C(=O)NC1CCCCC1 InChI=1S/C34H42N4O4/c1-24(33(41)36-28-16-8-4-9-17-28)35-23-32(40)31(21-26-13-6-3-7-14-26)37-34(42)27-15-12-20-30(22-27)38(25(2)39)29-18-10-5-11-19-29/h3,5-7,10-15,18-20,22,24,28,31-32,35,40H,4,8-9,16-17,21,23H2,1-2H3,(H,36,41)(H,37,42)/t24-,31-,32+/m0/s1 ILNUAJPKWXVLNB-JPBRBXQBSA-N 50322904 CHEMBL1210331::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylacetamido)benzamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863022 117644225 CHEMBL1210331 ZINC58603093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213991 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)NC1CCCCC1 InChI=1S/C32H40N4O3/c1-23(31(38)35-27-17-9-4-10-18-27)33-22-30(37)29(20-24-12-5-2-6-13-24)36-32(39)25-14-11-19-28(21-25)34-26-15-7-3-8-16-26/h2-3,5-8,11-16,19,21,23,27,29-30,33-34,37H,4,9-10,17-18,20,22H2,1H3,(H,35,38)(H,36,39)/t23-,29-,30+/m0/s1 IQTBSLHTGJXWLW-KEPSJGTLSA-N 50322876 CHEMBL1210330::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(phenylamino)benzamide Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863021 117644197 CHEMBL1210330 ZINC58538259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213992 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1 PSSKPAZTPVDDNS-RJSONGRPSA-N 50322877 CHEMBL1210329::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XFI 2XFI 10416248 117644198 CHEMBL1210329 ZINC58603088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213994 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 307 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213995 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1 ARWMRRUIIHCDKG-PWUSVURUSA-N 50231682 CHEMBL251862::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide Beta-secretase 1 Homo sapiens 363 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search VG5 2XFJ,2VJ6 24882338 104055249 CHEMBL251862 ZINC28978361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213996 CCS(=O)(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H36F3N3O6S2/c1-3-48(45,46)30-20-26(19-29(21-30)40(47(2,43)44)28-15-8-5-9-16-28)33(42)39-31(18-24-11-6-4-7-12-24)32(41)23-38-22-25-13-10-14-27(17-25)34(35,36)37/h4-17,19-21,31-32,38,41H,3,18,22-23H2,1-2H3,(H,39,42)/t31-,32+/m0/s1 JDPTZHWBCXFTAC-AJQTZOPKSA-N 50322915 3-(ethylsulfonyl)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210364 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11765311 117644236 CHEMBL1210364 ZINC58468457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213998 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O InChI=1S/C36H37F3N4O5S/c1-49(47,48)43(29-14-6-3-7-15-29)31-21-27(20-30(22-31)42-17-9-16-34(42)45)35(46)41-32(19-25-10-4-2-5-11-25)33(44)24-40-23-26-12-8-13-28(18-26)36(37,38)39/h2-8,10-15,18,20-22,32-33,40,44H,9,16-17,19,23-24H2,1H3,(H,41,46)/t32-,33+/m0/s1 OCHDDAGWDCOFQM-JHOUSYSJSA-N 50322886 CHEMBL1210363::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10439665 117644207 CHEMBL1210363 ZINC58655449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50213999 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C38H36F3N3O4S/c1-49(47,48)44(33-18-9-4-10-19-33)34-23-30(29-15-7-3-8-16-29)22-31(24-34)37(46)43-35(21-27-12-5-2-6-13-27)36(45)26-42-25-28-14-11-17-32(20-28)38(39,40)41/h2-20,22-24,35-36,42,45H,21,25-26H2,1H3,(H,43,46)/t35-,36+/m0/s1 VKICSHONDTWPQK-MPQUPPDSSA-N 50322885 CHEMBL1210362::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)biphenyl-3-carboxamide Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11765192 117644206 CHEMBL1210362 ZINC58602700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214000 CC(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H38F3N3O4S/c1-24(2)27-19-28(21-31(20-27)41(46(3,44)45)30-15-8-5-9-16-30)34(43)40-32(18-25-11-6-4-7-12-25)33(42)23-39-22-26-13-10-14-29(17-26)35(36,37)38/h4-17,19-21,24,32-33,39,42H,18,22-23H2,1-3H3,(H,40,43)/t32-,33+/m0/s1 IZGCSYKADOJJHC-JHOUSYSJSA-N 50322884 CHEMBL1210361::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-isopropyl-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10326962 117644205 CHEMBL1210361 ZINC03987507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214001 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C34H36F3N3O5S/c1-3-45-30-20-26(19-29(21-30)40(46(2,43)44)28-15-8-5-9-16-28)33(42)39-31(18-24-11-6-4-7-12-24)32(41)23-38-22-25-13-10-14-27(17-25)34(35,36)37/h4-17,19-21,31-32,38,41H,3,18,22-23H2,1-2H3,(H,39,42)/t31-,32+/m0/s1 JKURHCLTNUAEBX-AJQTZOPKSA-N 50322883 3-ethoxy-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210360 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10078059 117644204 CHEMBL1210360 ZINC03987503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214002 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C35H47N5O5S/c1-4-36-29-21-27(22-31(23-29)40(46(3,44)45)30-18-12-7-13-19-30)35(43)39-32(20-26-14-8-5-9-15-26)33(41)24-37-25(2)34(42)38-28-16-10-6-11-17-28/h5,7-9,12-15,18-19,21-23,25,28,32-33,36-37,41H,4,6,10-11,16-17,20,24H2,1-3H3,(H,38,42)(H,39,43)/t25-,32-,33+/m0/s1 SMMANAWVXZZNER-DZMJNENTSA-N 50322882 CHEMBL1210359::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AA9 2XFK 9939419 117644203 CHEMBL1210359 ZINC03987493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214004 CS(=O)(=O)N(c1cccnc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H31F3N4O4S/c1-43(41,42)38(27-14-7-15-35-20-27)26-13-6-11-24(18-26)30(40)37-28(17-22-8-3-2-4-9-22)29(39)21-36-19-23-10-5-12-25(16-23)31(32,33)34/h2-16,18,20,28-29,36,39H,17,19,21H2,1H3,(H,37,40)/t28-,29+/m0/s1 XGQFYIAWNPUACI-URLMMPGGSA-N 50322906 CHEMBL1210358::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-3-yl)methylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 21.0 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10483887 117644227 CHEMBL1210358 ZINC58598836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214006 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 InChI=1S/C37H40F3N3O4S/c1-48(46,47)43(32-17-6-3-7-18-32)33-22-29(28-14-8-9-15-28)21-30(23-33)36(45)42-34(20-26-11-4-2-5-12-26)35(44)25-41-24-27-13-10-16-31(19-27)37(38,39)40/h2-7,10-13,16-19,21-23,28,34-35,41,44H,8-9,14-15,20,24-25H2,1H3,(H,42,45)/t34-,35+/m0/s1 HGSCTPUCDDAAQZ-OIDHKYIRSA-N 50322916 3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210434 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10327211 117644237 CHEMBL1210434 ZINC03987498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214007 CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H31N3O4S/c1-35(33,34)30(23-12-6-3-7-13-23)24-14-8-11-21(18-24)27(32)29-25(17-20-9-4-2-5-10-20)26(31)19-28-22-15-16-22/h2-14,18,22,25-26,28,31H,15-17,19H2,1H3,(H,29,32)/t25-,26+/m0/s1 XVLOVTVVPKSUGV-IZZNHLLZSA-N 50322881 CHEMBL1210433::N-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 440 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10413386 117644202 CHEMBL1210433 ZINC38803870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214008 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1 PSSKPAZTPVDDNS-RJSONGRPSA-N 50322877 CHEMBL1210329::N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 510 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XFI 2XFI 10416248 117644198 CHEMBL1210329 ZINC58603088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214009 CS(=O)(=O)N(c1ccncc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H31F3N4O4S/c1-43(41,42)38(26-13-15-35-16-14-26)27-12-6-10-24(19-27)30(40)37-28(18-22-7-3-2-4-8-22)29(39)21-36-20-23-9-5-11-25(17-23)31(32,33)34/h2-17,19,28-29,36,39H,18,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 SOGVSPVLCXEDPN-URLMMPGGSA-N 50322907 CHEMBL1210353::CHEMBL1210357::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-4-yl)methylsulfonamido)benzamide hydrochloride Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10371570 117644228 CHEMBL1210357CHEMBL1210353 ZINC58468484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214010 CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 InChI=1S/C30H37N3O4S/c1-38(36,37)33(26-17-9-4-10-18-26)27-19-11-14-24(21-27)30(35)32-28(20-23-12-5-2-6-13-23)29(34)22-31-25-15-7-3-8-16-25/h2,4-6,9-14,17-19,21,25,28-29,31,34H,3,7-8,15-16,20,22H2,1H3,(H,32,35)/t28-,29+/m0/s1 FEOZKBJQAROHID-URLMMPGGSA-N 50322880 CHEMBL1210432::N-((2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 243 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10098656 117644201 CHEMBL1210432 ZINC58608324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214011 Cc1ccc(cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C33H34F3N3O4S/c1-23-16-17-28(39(44(2,42)43)27-14-7-4-8-15-27)20-29(23)32(41)38-30(19-24-10-5-3-6-11-24)31(40)22-37-21-25-12-9-13-26(18-25)33(34,35)36/h3-18,20,30-31,37,40H,19,21-22H2,1-2H3,(H,38,41)/t30-,31+/m0/s1 OWKVOSMRWHCUBA-IOWSJCHKSA-N 50322908 CHEMBL1210356::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-2-methyl-5-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 3470 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10484078 117644229 CHEMBL1210356 ZINC58468485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214012 CC(C)CCCC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O InChI=1S/C32H43N3O4S/c1-24(2)13-11-14-25(3)33-23-31(36)30(21-26-15-7-5-8-16-26)34-32(37)27-17-12-20-29(22-27)35(40(4,38)39)28-18-9-6-10-19-28/h5-10,12,15-20,22,24-25,30-31,33,36H,11,13-14,21,23H2,1-4H3,(H,34,37)/t25?,30-,31+/m0/s1 HUCKKBDXVQDXSC-DFCNTKNDSA-N 50322879 CHEMBL1210431::N-((2S,3R)-3-hydroxy-4-(6-methylheptan-2-ylamino)-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10483879 117644200 CHEMBL1210431 ZINC64245766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214013 Cc1ccc(cc1N(c1ccccc1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C33H34F3N3O4S/c1-23-16-17-26(20-30(23)39(44(2,42)43)28-14-7-4-8-15-28)32(41)38-29(19-24-10-5-3-6-11-24)31(40)22-37-21-25-12-9-13-27(18-25)33(34,35)36/h3-18,20,29,31,37,40H,19,21-22H2,1-2H3,(H,38,41)/t29-,31+/m0/s1 HYNKIPABGATMMG-IGYGKHONSA-N 50322909 CHEMBL1210355::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-4-methyl-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 930 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10438938 117644230 CHEMBL1210355 ZINC58581811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214014 Cc1c(cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O InChI=1S/C33H34F3N3O4S/c1-23-28(17-10-18-30(23)39(44(2,42)43)27-15-7-4-8-16-27)32(41)38-29(20-24-11-5-3-6-12-24)31(40)22-37-21-25-13-9-14-26(19-25)33(34,35)36/h3-19,29,31,37,40H,20-22H2,1-2H3,(H,38,41)/t29-,31+/m0/s1 XYPSUEPECMURMW-IGYGKHONSA-N 50322910 CHEMBL1210354::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-2-methyl-3-(N-phenylmethylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10100482 117644231 CHEMBL1210354 ZINC58598720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214015 CS(=O)(=O)N(c1ccncc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F InChI=1S/C31H31F3N4O4S/c1-43(41,42)38(26-13-15-35-16-14-26)27-12-6-10-24(19-27)30(40)37-28(18-22-7-3-2-4-8-22)29(39)21-36-20-23-9-5-11-25(17-23)31(32,33)34/h2-17,19,28-29,36,39H,18,20-21H2,1H3,(H,37,40)/t28-,29+/m0/s1 SOGVSPVLCXEDPN-URLMMPGGSA-N 50322907 CHEMBL1210353::CHEMBL1210357::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-4-yl)methylsulfonamido)benzamide hydrochloride Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10371570 117644228 CHEMBL1210357CHEMBL1210353 ZINC58468484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214016 CS(=O)(=O)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)c1ccccn1 InChI=1S/C31H31F3N4O4S/c1-43(41,42)38(29-15-5-6-16-36-29)26-14-8-12-24(19-26)30(40)37-27(18-22-9-3-2-4-10-22)28(39)21-35-20-23-11-7-13-25(17-23)31(32,33)34/h2-17,19,27-28,35,39H,18,20-21H2,1H3,(H,37,40)/t27-,28+/m0/s1 NLBLQQZAHZCPKB-WUFINQPMSA-N 50322905 CHEMBL1210351::CHEMBL1788375::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-2-yl)methylsulfonamido)benzamide::N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-3-(N-(pyridin-2-yl)methylsulfonamido)benzamide hydrobromide Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9986236 117644226 CHEMBL1210351CHEMBL1788375 ZINC58594138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214017 O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1c2ccccc2OS1(=O)=O InChI=1S/C31H28F3N3O5S/c32-31(33,34)24-12-6-10-22(16-24)19-35-20-28(38)26(17-21-8-2-1-3-9-21)36-30(39)23-11-7-13-25(18-23)37-27-14-4-5-15-29(27)42-43(37,40)41/h1-16,18,26,28,35,38H,17,19-20H2,(H,36,39)/t26-,28+/m0/s1 IEFNQMINVHIYBY-XTEPFMGCSA-N 50322913 CHEMBL1210350 Beta-secretase 1 Homo sapiens 910 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863031 117644234 CHEMBL1210350 ZINC58581810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214018 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C33H40Cl2N4O5S/c1-22(32(41)37-27-13-7-4-8-14-27)36-21-31(40)30(16-23-10-5-3-6-11-23)38-33(42)24-12-9-15-28(17-24)39(45(2,43)44)29-19-25(34)18-26(35)20-29/h3,5-6,9-12,15,17-20,22,27,30-31,36,40H,4,7-8,13-14,16,21H2,1-2H3,(H,37,41)(H,38,42)/t22-,30-,31+/m0/s1 ZDEXTHTTXHQRPJ-TZJDENGASA-N 50322914 CHEMBL1210349::N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-(3,5-dichlorophenyl)methylsulfonamido)benzamide Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10258985 117644235 CHEMBL1210349 ZINC58614547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214019 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(cc1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-13-7-4-8-14-28)36-23-32(40)31(20-25-10-5-3-6-11-25)38-34(42)27-12-9-15-30(21-27)39(45(2,43)44)29-18-16-26(22-35)17-19-29/h3,5-6,9-12,15-19,21,24,28,31-32,36,40H,4,7-8,13-14,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,31-,32+/m0/s1 OUJNBZOVRLESMB-JPBRBXQBSA-N 50322887 3-(N-(4-cyanophenyl)methylsulfonamido)-N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)benzamide::CHEMBL1210348 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2010.05.111 10.7270/Q2RB75K7 20579874 Clarke, B; Cutler, L; Demont, E; Dingwall, C; Dunsdon, R; Hawkins, J; Howes, C; Hussain, I; Maile, G; Matico, R; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Rowland, P; Soleil, V; Smith, KJ; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Wayne, G GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10077756 117644208 CHEMBL1210348 ZINC58602946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214020 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-33,35-37H,1H3 MDYSVIBQXPJGQJ-UHFFFAOYSA-N 50323198 4'''-methylamentoflavone::CHEMBL220745::podocarpusflavone A Beta-secretase 1 Homo sapiens 990 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5320644 117644519 CHEMBL220745 ZINC43552595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214021 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2o1 InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-10,12,25,31-36H,11H2/t25-/m0/s1 JVBCTBWKMWXQQO-VWLOTQADSA-N 50323210 2,3-dihydroamentoflavone::CHEMBL220741 Beta-secretase 1 Homo sapiens 750 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44420106 117644531 CHEMBL220741 ZINC43552589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214022 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1 InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H DWXKOQIOXVVGJJ-UHFFFAOYSA-N 50323214 6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one::CHEMBL291426::HINOKIFLAVONE Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281627 117644535 5721 CHEMBL291426 ZINC04098521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214023 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H QYDURWHTEIUTEI-UHFFFAOYSA-N 50129952 2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one::8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one::Amentoflavone::CHEMBL63354::cid_5281600 Beta-secretase 1 Homo sapiens 1540 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281600 104021411 2631 CHEMBL63354 ZINC03984030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214024 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-14,33-34,36,38H,1-2H3 DQIHYHXGJITSCH-UHFFFAOYSA-N 50323204 7'',4'''-dimethylamentoflavone::CHEMBL374055 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323204&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5491518 117644525 CHEMBL374055 ZINC44018332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214025 COc1ccc(cc1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 InChI=1S/C32H22O10/c1-39-24-8-5-16(26-12-21(36)30-20(35)10-18(34)11-28(30)41-26)9-19(24)29-27(40-2)14-23(38)31-22(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-34,36,38H,1-2H3 ZQAIYKCPFGBVKC-UHFFFAOYSA-N 50323202 4',7''-O-methylamentoflavone::4',7''-di-O-methyl-amentoflavone::4',7''-di-O-methylamentoflavone::CHEMBL208988 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5494869 117644523 CHEMBL208988 ZINC43524348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214026 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 InChI=1S/C32H22O10/c1-39-18-10-21(35)30-22(36)12-26(41-28(30)11-18)16-5-8-20(34)19(9-16)29-27(40-2)14-24(38)31-23(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-34,36,38H,1-2H3 NGZANIKWEYLELH-UHFFFAOYSA-N 50323200 CHEMBL1208793::amentoflavone-7,7''-dimethyl ether Beta-secretase 1 Homo sapiens 6250 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13871759 117644521 CHEMBL1208793 ZINC58598919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214027 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33,35-37H,1-2H3 HXTSRWWYHUJHRQ-UHFFFAOYSA-N 50323203 CHEMBL1208903::isoginkgetin Beta-secretase 1 Homo sapiens 3010 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5318569 117644524 CHEMBL1208903 ZINC03197535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214028 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)26-14-24(37)32-25(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-21(20)34)27-13-23(36)31-22(35)11-19(40-2)12-29(31)42-27/h4-15,34,36,38H,1-3H3 BGNHKGAOCGRLFN-UHFFFAOYSA-N 50323207 CHEMBL1208904::heveaflavone Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15559724 117644528 CHEMBL1208904 ZINC58594092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214029 COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 InChI=1S/C33H26O10/c1-15-25(41-3)14-28-31(32(15)39)23(38)13-27(42-28)17-6-9-24(40-2)19(10-17)29-20(35)11-21(36)30-22(37)12-26(43-33(29)30)16-4-7-18(34)8-5-16/h4-12,14,27,34-36,39H,13H2,1-3H3/t27-/m0/s1 ALCMEGWPPBQUES-MHZLTWQESA-N 50323211 2,3-dihydro-6-methylginkgetin::CHEMBL1208905 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46911278 117644532 CHEMBL1208905 ZINC58583009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214030 COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3 RLWJDMMKIGHAMT-UHFFFAOYSA-N 50323196 4'-methylamentoflavone::CHEMBL378188::bilobetin Beta-secretase 1 Homo sapiens 2020 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5315459 117644517 CHEMBL378188 ZINC03979028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214031 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33,35-37H,1-2H3 RCDJSKSRDXDVJA-UHFFFAOYSA-N 50323199 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-chromen-4-one::CHEMBL377324::ginkgetin Beta-secretase 1 Homo sapiens 4180 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5271805 117644520 5353 CHEMBL377324 ZINC01531664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217348 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C29H40N4O6S/c1-20(2)22-10-8-9-21(13-22)17-30-18-27(34)26-19-39-12-7-5-6-11-31-28(35)23-14-24(29(36)32-26)16-25(15-23)33(3)40(4,37)38/h5,7-10,13-16,20,26-27,30,34H,6,11-12,17-19H2,1-4H3,(H,31,35)(H,32,36)/b7-5+/t26-,27+/m0/s1 MEKPYLBTTKGXAX-VDGLFCQGSA-N 50387054 CHEMBL2047033 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694545 160866137 CHEMBL2047033 ZINC84759552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217349 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@H](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c2ccccc2)c1 InChI=1S/C35H44N4O6S/c1-24(2)27-14-10-11-25(17-27)21-36-22-33(40)32-23-45-16-9-8-15-31(26-12-6-5-7-13-26)37-34(41)28-18-29(35(42)38-32)20-30(19-28)39(3)46(4,43)44/h5-14,17-20,24,31-33,36,40H,15-16,21-23H2,1-4H3,(H,37,41)(H,38,42)/b9-8+/t31-,32-,33+/m0/s1 XYJDOUBLYLOJJL-YNYOQIOBSA-N 50387063 CHEMBL2047040 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0LG 4DPF 57345931 160866146 CHEMBL2047040 ZINC84758523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217350 CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1cccc(c1)C(C)(C)C)S(C)(=O)=O InChI=1S/C30H42N4O6S/c1-30(2,3)24-11-9-10-21(14-24)18-31-19-27(35)26-20-40-13-8-6-7-12-32-28(36)22-15-23(29(37)33-26)17-25(16-22)34(4)41(5,38)39/h6,8-11,14-17,26-27,31,35H,7,12-13,18-20H2,1-5H3,(H,32,36)(H,33,37)/b8-6+/t26-,27+/m0/s1 MIJJZFPWMIQONO-OTQKIKBLSA-N 50387056 CHEMBL2047034 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694546 160866139 CHEMBL2047034 ZINC84759553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217351 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C/CCN(C)C(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C30H42N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-7-12-33(3)30(37)25-15-24(29(36)32-27)16-26(17-25)34(4)41(5,38)39/h6,8-11,14-17,21,27-28,31,35H,7,12-13,18-20H2,1-5H3,(H,32,36)/b8-6-/t27-,28+/m0/s1 JHWZSJJIDCNNBH-NTIAGLRXSA-N 50387057 CHEMBL2047039 Beta-secretase 1 Homo sapiens 6.9 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694547 160866140 CHEMBL2047039 ZINC84758522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217352 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C30H42N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-5-7-12-32-29(36)24-15-25(30(37)33-27)17-26(16-24)34(3)41(4,38)39/h6,8-11,14-17,21,27-28,31,35H,5,7,12-13,18-20H2,1-4H3,(H,32,36)(H,33,37)/b8-6+/t27-,28+/m0/s1 PDQRIFLZLJPPAY-MBLVZZAPSA-N 50387053 CHEMBL2047035 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688326 160866136 CHEMBL2047035 ZINC84759554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217353 CN(c1cc2cc(c1)C(=O)N[C@@H](COCCCCCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O InChI=1S/C26H36N4O6S/c1-30(37(2,34)35)22-14-20-13-21(15-22)26(33)29-23(18-36-12-8-4-7-11-28-25(20)32)24(31)17-27-16-19-9-5-3-6-10-19/h3,5-6,9-10,13-15,23-24,27,31H,4,7-8,11-12,16-18H2,1-2H3,(H,28,32)(H,29,33)/t23-,24+/m0/s1 TWVSSHHGCDLMHU-BJKOFHAPSA-N 50387052 CHEMBL2047036 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692503 160866135 CHEMBL2047036 ZINC84758296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218485 CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C19H18N4O/c1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1 NJLBQDBNTWRZTM-IBGZPJMESA-N 50392844 CHEMBL2151134 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262486 163341868 CHEMBL2151134 ZINC95576697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218487 COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1 LQOCXPOKEPYGTJ-IBGZPJMESA-N 50392843 CHEMBL1233206 Beta-secretase 1 Homo sapiens 840 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17749735 163341867 CHEMBL1233206 ZINC11536246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218489 CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 IKFZEHQGULJMKI-SFHVURJKSA-N 50392836 CHEMBL2151141 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 23627211 163341860 CHEMBL2151141 ZINC68198835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218492 CN1C(=O)C[C@](C)(N=C1N)c1ccc(s1)-c1cccc(c1)C#N InChI=1S/C17H16N4OS/c1-17(9-15(22)21(2)16(19)20-17)14-7-6-13(23-14)12-5-3-4-11(8-12)10-18/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1 DVRHLQBEXRCOIC-KRWDZBQOSA-N 50392841 CHEMBL2151139 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262455 163341865 CHEMBL2151139 ZINC95573102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218497 COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1 LQOCXPOKEPYGTJ-IBGZPJMESA-N 50392843 CHEMBL1233206 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17749735 163341867 CHEMBL1233206 ZINC11536246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218499 CN1C(=O)C[C@](C)(N=C1N)c1csc(c1)-c1cccc(c1)C#N InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 UZXJHBDQSPCDPL-KRWDZBQOSA-N 50392842 CHEMBL2151140 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59387262 163341866 CHEMBL2151140 ZINC95573652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218517 COc1cccc(c1)-c1cccc(c1)[C@@]1(CC(=O)N(C)C(N)=N1)c1ccccc1 InChI=1S/C24H23N3O2/c1-27-22(28)16-24(26-23(27)25,19-10-4-3-5-11-19)20-12-6-8-17(14-20)18-9-7-13-21(15-18)29-2/h3-15H,16H2,1-2H3,(H2,25,26)/t24-/m1/s1 HWRRBABUUNBUPZ-XMMPIXPASA-N 50392847 CHEMBL2151040 Beta-secretase 1 Homo sapiens 22000 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460181 163341871 CHEMBL2151040 ZINC95572971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218527 CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C18H18N4OS/c1-4-5-12-8-13(11-20-10-12)14-6-7-15(24-14)18(2)9-16(23)22(3)17(19)21-18/h6-8,10-11H,9H2,1-3H3,(H2,19,21)/t18-/m0/s1 UGDBWUJFNMDDPJ-SFHVURJKSA-N 50392838 CHEMBL2151179 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1021/ml3001165 10.7270/Q23779SN 23412139 Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451161 163341862 CHEMBL2151179 ZINC95575404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218533 NC1=N[C@](Cn2ccnc12)(C(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H14F4N6O/c20-10-1-4-14(26-8-10)17(30)27-11-2-3-13(21)12(7-11)19(18(22)23)9-29-6-5-25-16(29)15(24)28-19/h1-8,18H,9H2,(H2,24,28)(H,27,30)/t19-/m0/s1 DXPHAPFAZQLPMH-IBGZPJMESA-N 50393087 CHEMBL2152902 Beta-secretase 1 Homo sapiens <30200 ChEMBL 10.1021/ml300316d 10.7270/Q2CJ8FJ4 24900393 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454827 163342111 CHEMBL2152902 ZINC95573657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218535 C[C@]1(Cn2cc(nc2C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C19H15F6N7O/c1-18(8-31-7-13(19(23,24)25)28-15(31)14(26)29-18)10-6-9(2-3-11(10)20)27-16(33)12-4-5-32(30-12)17(21)22/h2-7,17H,8H2,1H3,(H2,26,29)(H,27,33)/t18-/m0/s1 IZRCDGKIORKECW-SFHVURJKSA-N 50393086 CHEMBL2152901 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1021/ml300316d 10.7270/Q2CJ8FJ4 24900393 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393086&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449474 163342110 CHEMBL2152901 ZINC95579992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218536 C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C19H15F3N8O/c1-19(9-29-11(7-23)8-25-16(29)15(24)27-19)12-6-10(2-3-13(12)20)26-17(31)14-4-5-30(28-14)18(21)22/h2-6,8,18H,9H2,1H3,(H2,24,27)(H,26,31)/t19-/m0/s1 CZPMAKMWNUPPAW-IBGZPJMESA-N 50393085 CHEMBL2152900 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/ml300316d 10.7270/Q2CJ8FJ4 24900393 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393085&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451280 163342109 CHEMBL2152900 ZINC95578832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218537 C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15FN8O/c1-21(11-30-14(8-24)10-27-19(30)18(25)29-21)15-6-13(3-4-16(15)22)28-20(31)17-5-2-12(7-23)9-26-17/h2-6,9-10H,11H2,1H3,(H2,25,29)(H,28,31)/t21-/m0/s1 PEYUKFMDCGZLQN-NRFANRHFSA-N 50393084 CHEMBL2152899 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/ml300316d 10.7270/Q2CJ8FJ4 24900393 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393084&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456609 163342108 CHEMBL2152899 ZINC95579446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218538 CCn1cc(cc(C(F)F)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H23F3N4O/c1-3-7-18-12-20(16-35-15-18)19-8-5-9-21(13-19)30(24-10-6-11-25(31)26(24)28(34)36-30)22-14-23(27(32)33)29(38)37(4-2)17-22/h5-6,8-17,27H,4H2,1-2H3,(H2,34,36)/t30-/m0/s1 GZUAKTAFZQGCMX-PMERELPUSA-N 50393090 CHEMBL2152905 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454828 163342114 CHEMBL2152905 ZINC95577697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218539 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cc(ccn1)C#CC InChI=1S/C30H25FN4O/c1-4-8-20-13-14-33-26(16-20)21-9-6-10-22(17-21)30(23-15-19(3)29(36)35(5-2)18-23)24-11-7-12-25(31)27(24)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1 GTAHYWCJADHESY-PMERELPUSA-N 50393091 CHEMBL2152906 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57407296 163342115 CHEMBL2152906 ZINC95573636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218540 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1 TUGLMYZSOPKJOA-PMERELPUSA-N 50393088 CHEMBL2152903 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I6X 4B00 57406537 163342112 CHEMBL2152903 ZINC95574104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218541 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C28H22FN5O/c1-3-34-16-22(10-17(2)27(34)35)28(23-8-5-9-24(29)25(23)26(31)33-28)21-7-4-6-19(12-21)20-11-18(13-30)14-32-15-20/h4-12,14-16H,3H2,1-2H3,(H2,31,33)/t28-/m0/s1 VAUWUKVZPXCDOH-NDEPHWFRSA-N 50393089 CHEMBL2152904 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449475 163342113 CHEMBL2152904 ZINC95574043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219558 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cncc(F)c3)c2c1 InChI=1S/C32H38F2N4O3/c1-31(2,3)14-21-11-25-27(15-32(9-4-10-32)41-30(25)37-16-21)36-19-28(39)26(12-20-5-7-23(33)8-6-20)38-29(40)22-13-24(34)18-35-17-22/h5-8,11,13,16-18,26-28,36,39H,4,9-10,12,14-15,19H2,1-3H3,(H,38,40)/t26-,27-,28+/m0/s1 HMMNJCGMHFFTDC-HZFUHODCSA-N 50396104 CHEMBL2171303 Beta-secretase 1 Homo sapiens 69 ChEMBL 10.1021/jm201136z 10.7270/Q25140BH 22506484 Hitchcock, SA Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460696 163345128 CHEMBL2171303 ZINC95555834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219559 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3F)c2c1 InChI=1S/C32H38F2N4O3/c1-31(2,3)16-21-14-24-26(17-32(11-5-12-32)41-30(24)37-18-21)36-19-27(39)25(15-20-7-9-22(33)10-8-20)38-29(40)23-6-4-13-35-28(23)34/h4,6-10,13-14,18,25-27,36,39H,5,11-12,15-17,19H2,1-3H3,(H,38,40)/t25-,26-,27+/m0/s1 BYTJKUAXMDZACZ-GMQQYTKMSA-N 50396106 CHEMBL2171305 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm201136z 10.7270/Q25140BH 22506484 Hitchcock, SA Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453520 163345130 CHEMBL2171305 ZINC95555964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219560 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3)c2c1 InChI=1S/C32H39FN4O3/c1-31(2,3)16-22-14-25-27(17-32(11-5-12-32)40-30(25)36-18-22)35-20-28(38)26(15-21-7-9-24(33)10-8-21)37-29(39)23-6-4-13-34-19-23/h4,6-10,13-14,18-19,26-28,35,38H,5,11-12,15-17,20H2,1-3H3,(H,37,39)/t26-,27-,28+/m0/s1 VUZHVOFGGIXWRI-HZFUHODCSA-N 50396105 CHEMBL2171304 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1021/jm201136z 10.7270/Q25140BH 22506484 Hitchcock, SA Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462407 163345129 CHEMBL2171304 ZINC95553344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219562 COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O4/c1-28(2,3)14-20-12-22-24(15-29(10-5-11-29)37-27(22)32-16-20)31-17-25(34)23(33-26(35)18-36-4)13-19-6-8-21(30)9-7-19/h6-9,12,16,23-25,31,34H,5,10-11,13-15,17-18H2,1-4H3,(H,33,35)/t23-,24-,25+/m0/s1 AYYFKCHPWARGSD-CCDWMCETSA-N 50396108 CHEMBL2171307 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm201136z 10.7270/Q25140BH 22506484 Hitchcock, SA Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68697829 163345132 CHEMBL2171307 ZINC95556956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219565 CO[C@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C30H42FN3O4/c1-19(37-5)27(36)34-24(14-20-7-9-22(31)10-8-20)26(35)18-32-25-16-30(11-6-12-30)38-28-23(25)13-21(17-33-28)15-29(2,3)4/h7-10,13,17,19,24-26,32,35H,6,11-12,14-16,18H2,1-5H3,(H,34,36)/t19-,24+,25+,26-/m1/s1 HOUVRJZAHGVNPN-UAZYKBCHSA-N 50396107 CHEMBL2171306 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/jm201136z 10.7270/Q25140BH 22506484 Hitchcock, SA Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451687 163345131 CHEMBL2171306 ZINC95555665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50219567 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 FBJQDUYQPYABBR-CCDWMCETSA-N 50383839 CHEMBL2030997 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm201136z 10.7270/Q25140BH 22506484 Hitchcock, SA Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0MP 4DUS 60202322 160862922 CHEMBL2030997 ZINC84671119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220708 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)C(=O)c1ccccc1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C25H21N5O2S/c1-29-23(32)20-13-30(22(31)17-7-3-2-4-8-17)15-25(20,28-24(29)27)21-11-19(14-33-21)18-9-5-6-16(10-18)12-26/h2-11,14,20H,13,15H2,1H3,(H2,27,28)/t20-,25-/m0/s1 POOXGNGZUXTIQE-CPJSRVTESA-N 50398685 CHEMBL2178145 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60210990 163347709 CHEMBL2178145 ZINC34787145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220709 COc1cccnc1N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(21-19(32-2)7-4-8-27-21)14-24(18,28-23(29)26)20-10-17(13-33-20)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1 OVZBZLASXPSCEA-UUOWRZLLSA-N 50398690 CHEMBL2178712 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557876 163347714 CHEMBL2178712 ZINC34787864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220710 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)C(=O)c1ccccc1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C25H21N5O2S/c1-29-23(32)20-13-30(22(31)17-7-3-2-4-8-17)15-25(20,28-24(29)27)21-11-19(14-33-21)18-9-5-6-16(10-18)12-26/h2-11,14,20H,13,15H2,1H3,(H2,27,28)/t20-,25-/m0/s1 POOXGNGZUXTIQE-CPJSRVTESA-N 50398685 CHEMBL2178145 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60210990 163347709 CHEMBL2178145 ZINC34787145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220711 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/m0/s1 QDOSQUWDMMMXHC-RDPSFJRHSA-N 50398680 CHEMBL2178150 Beta-secretase 1 Homo sapiens 191 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15947487 163347704 CHEMBL2178150 ZINC34785853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220712 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C38H55N5O9S/c1-22(2)16-30(43-36(49)29(14-15-53-6)42-37(50)31(17-23(3)4)40-24(5)44)33(46)20-34(47)41-32(19-25-10-12-28(45)13-11-25)35(48)39-21-26-8-7-9-27(18-26)38(51)52/h7-13,18,22-23,29-33,45-46H,14-17,19-21H2,1-6H3,(H,39,48)(H,40,44)(H,41,47)(H,42,50)(H,43,49)(H,51,52)/t29-,30-,31-,32-,33-/m0/s1 KWNPAPPOMUTAMQ-ZTTXAYQISA-N 50398686 CHEMBL2178144 Beta-secretase 1 Homo sapiens 91 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457165 163347710 CHEMBL2178144 ZINC95577913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220713 COc1cccc(n1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(20-7-4-8-21(27-20)32-2)14-24(18,28-23(29)26)19-10-17(13-33-19)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1 DHDYCYIAHXOSEU-UUOWRZLLSA-N 50398688 CHEMBL2178715 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557874 163347712 CHEMBL2178715 ZINC95572258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220714 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(C)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H21N7OS/c1-14-9-26-22(27-10-14)30-11-18-20(31)29(2)21(25)28-23(18,13-30)19-7-17(12-32-19)16-5-3-4-15(6-16)8-24/h3-7,9-10,12,18H,11,13H2,1-2H3,(H2,25,28)/t18-,23-/m0/s1 LATOBPWZBWTWEM-MBSDFSHPSA-N 50398694 CHEMBL2178143 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450028 163347718 CHEMBL2178143 ZINC95577065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220715 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H19FN6OS/c1-29-21(31)18-11-30(20-6-5-17(24)10-27-20)13-23(18,28-22(29)26)19-8-16(12-32-19)15-4-2-3-14(7-15)9-25/h2-8,10,12,18H,11,13H2,1H3,(H2,26,28)/t18-,23-/m0/s1 CHTLTXJCMNCJSN-MBSDFSHPSA-N 50398687 CHEMBL2178714 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455427 163347711 CHEMBL2178714 ZINC95574999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220716 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccc1C#N)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H19N7OS/c1-30-22(32)19-12-31(21-17(11-26)6-3-7-28-21)14-24(19,29-23(30)27)20-9-18(13-33-20)16-5-2-4-15(8-16)10-25/h2-9,13,19H,12,14H2,1H3,(H2,27,29)/t19-,24-/m0/s1 LWVMTILRDSZVMA-CYFREDJKSA-N 50398689 CHEMBL2178713 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557875 163347713 CHEMBL2178713 ZINC95575064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220717 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H20N6OS/c1-28-21(30)18-12-29(20-7-2-3-8-26-20)14-23(18,27-22(28)25)19-10-17(13-31-19)16-6-4-5-15(9-16)11-24/h2-10,13,18H,12,14H2,1H3,(H2,25,27)/t18-,23-/m0/s1 IDHCKDOPLBRJHJ-MBSDFSHPSA-N 50398691 CHEMBL2178153 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462547 163347715 CHEMBL2178153 ZINC95576335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220718 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(Cl)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H18ClN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 IBKRVASDDLTZLT-JTSKRJEESA-N 50398695 CHEMBL2178719 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453702 163347719 CHEMBL2178719 ZINC95572151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220719 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 PTLJUNIICOHEHE-JTSKRJEESA-N 50398693 CHEMBL2178718 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457203 163347717 CHEMBL2178718 ZINC95576320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220720 CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C27H27N5O2S/c1-17(2)34-22-9-5-8-21(12-22)32-14-23-25(33)31(3)26(29)30-27(23,16-32)24-11-20(15-35-24)19-7-4-6-18(10-19)13-28/h4-12,15,17,23H,14,16H2,1-3H3,(H2,29,30)/t23-,27-/m0/s1 XVWWYKYWXIEDOL-HOFKKMOUSA-N 50398679 CHEMBL2178151 Beta-secretase 1 Homo sapiens 308 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457167 163347703 CHEMBL2178151 ZINC95575010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220721 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H19N7OS/c1-28-19(30)17-11-29(21-25-6-3-7-26-21)13-22(17,27-20(28)24)18-9-16(12-31-18)15-5-2-4-14(8-15)10-23/h2-9,12,17H,11,13H2,1H3,(H2,24,27)/t17-,22-/m0/s1 AAWSEFDIDJLXJF-JTSKRJEESA-N 50398696 CHEMBL2178717 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460877 163347720 CHEMBL2178717 ZINC34787681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220722 CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)c1cccc(OC(C)C)c1 InChI=1S/C28H29N5O2S/c1-5-7-19-10-20(14-30-13-19)21-11-25(36-16-21)28-17-33(15-24(28)26(34)32(4)27(29)31-28)22-8-6-9-23(12-22)35-18(2)3/h6,8-14,16,18,24H,15,17H2,1-4H3,(H2,29,31)/t24-,28-/m0/s1 VYHWCJWNQFIBGN-CUBQBAPOSA-N 50398678 CHEMBL2178152 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453665 163347702 CHEMBL2178152 ZINC34785868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220723 CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)C(=O)c1cccc(F)c1 InChI=1S/C26H22FN5O2S/c1-3-5-16-8-18(12-29-11-16)19-10-22(35-14-19)26-15-32(23(33)17-6-4-7-20(27)9-17)13-21(26)24(34)31(2)25(28)30-26/h4,6-12,14,21H,13,15H2,1-2H3,(H2,28,30)/t21-,26-/m0/s1 ZFTDVQQMMHLYOK-LVXARBLLSA-N 50398683 CHEMBL2178147 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459034 163347707 CHEMBL2178147 ZINC34786914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220724 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)C(=O)c1cccc(F)c1)c1cc(cs1)-c1ccc(F)c(c1)C#N InChI=1S/C25H19F2N5O2S/c1-31-23(34)19-11-32(22(33)15-3-2-4-18(26)8-15)13-25(19,30-24(31)29)21-9-17(12-35-21)14-5-6-20(27)16(7-14)10-28/h2-9,12,19H,11,13H2,1H3,(H2,29,30)/t19-,25-/m0/s1 KBBKQWJONKDJMI-DFBJGRDBSA-N 50398684 CHEMBL2178146 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457166 163347708 CHEMBL2178146 ZINC95579770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220726 COc1cccc(n1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(20-7-4-8-21(27-20)32-2)14-24(18,28-23(29)26)19-10-17(13-33-19)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1 DHDYCYIAHXOSEU-UUOWRZLLSA-N 50398688 CHEMBL2178715 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557874 163347712 CHEMBL2178715 ZINC95572258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220727 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccc1)c1ccc(s1)-c1ccc(F)c(c1)C#N InChI=1S/C24H20FN5OS/c1-29-22(31)18-13-30(17-5-3-2-4-6-17)14-24(18,28-23(29)27)21-10-9-20(32-21)15-7-8-19(25)16(11-15)12-26/h2-11,18H,13-14H2,1H3,(H2,27,28)/t18-,24-/m0/s1 DWVJKKOFIHHAKC-UUOWRZLLSA-N 50398681 CHEMBL2178148 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60210991 163347705 CHEMBL2178148 ZINC34787398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220728 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1cccc(n1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H19F3N6OS/c1-32-21(34)17-11-33(20-7-3-6-18(30-20)24(25,26)27)13-23(17,31-22(32)29)19-9-16(12-35-19)15-5-2-4-14(8-15)10-28/h2-9,12,17H,11,13H2,1H3,(H2,29,31)/t17-,23-/m0/s1 MRXXJZQTWMXYNQ-SBUREZEXSA-N 50398692 CHEMBL2178716 Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457202 163347716 CHEMBL2178716 ZINC34787699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220729 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H19N7OS/c1-28-19(30)17-11-29(21-25-6-3-7-26-21)13-22(17,27-20(28)24)18-9-16(12-31-18)15-5-2-4-14(8-15)10-23/h2-9,12,17H,11,13H2,1H3,(H2,24,27)/t17-,22-/m0/s1 AAWSEFDIDJLXJF-JTSKRJEESA-N 50398696 CHEMBL2178717 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460877 163347720 CHEMBL2178717 ZINC34787681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220730 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 PTLJUNIICOHEHE-JTSKRJEESA-N 50398693 CHEMBL2178718 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457203 163347717 CHEMBL2178718 ZINC95576320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220731 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(Cl)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H18ClN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 IBKRVASDDLTZLT-JTSKRJEESA-N 50398695 CHEMBL2178719 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453702 163347719 CHEMBL2178719 ZINC95572151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220734 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H20N6OS/c1-28-21(30)18-12-29(20-7-2-3-8-26-20)14-23(18,27-22(28)25)19-10-17(13-31-19)16-6-4-5-15(9-16)11-24/h2-10,13,18H,12,14H2,1H3,(H2,25,27)/t18-,23-/m0/s1 IDHCKDOPLBRJHJ-MBSDFSHPSA-N 50398691 CHEMBL2178153 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462547 163347715 CHEMBL2178153 ZINC95576335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220735 CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)c1cccc(OC(C)C)c1 InChI=1S/C28H29N5O2S/c1-5-7-19-10-20(14-30-13-19)21-11-25(36-16-21)28-17-33(15-24(28)26(34)32(4)27(29)31-28)22-8-6-9-23(12-22)35-18(2)3/h6,8-14,16,18,24H,15,17H2,1-4H3,(H2,29,31)/t24-,28-/m0/s1 VYHWCJWNQFIBGN-CUBQBAPOSA-N 50398678 CHEMBL2178152 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453665 163347702 CHEMBL2178152 ZINC34785868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220736 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(C)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H21N7OS/c1-14-9-26-22(27-10-14)30-11-18-20(31)29(2)21(25)28-23(18,13-30)19-7-17(12-32-19)16-5-3-4-15(6-16)8-24/h3-7,9-10,12,18H,11,13H2,1-2H3,(H2,25,28)/t18-,23-/m0/s1 LATOBPWZBWTWEM-MBSDFSHPSA-N 50398694 CHEMBL2178143 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450028 163347718 CHEMBL2178143 ZINC95577065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220737 COc1cccnc1N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22N6O2S/c1-29-22(31)18-12-30(21-19(32-2)7-4-8-27-21)14-24(18,28-23(29)26)20-10-17(13-33-20)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1 OVZBZLASXPSCEA-UUOWRZLLSA-N 50398690 CHEMBL2178712 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557876 163347714 CHEMBL2178712 ZINC34787864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220738 CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C27H27N5O2S/c1-17(2)34-22-9-5-8-21(12-22)32-14-23-25(33)31(3)26(29)30-27(23,16-32)24-11-20(15-35-24)19-7-4-6-18(10-19)13-28/h4-12,15,17,23H,14,16H2,1-3H3,(H2,29,30)/t23-,27-/m0/s1 XVWWYKYWXIEDOL-HOFKKMOUSA-N 50398679 CHEMBL2178151 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457167 163347703 CHEMBL2178151 ZINC95575010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220739 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccc1C#N)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H19N7OS/c1-30-22(32)19-12-31(21-17(11-26)6-3-7-28-21)14-24(19,29-23(30)27)20-9-18(13-33-20)16-5-2-4-15(8-16)10-25/h2-9,13,19H,12,14H2,1H3,(H2,27,29)/t19-,24-/m0/s1 LWVMTILRDSZVMA-CYFREDJKSA-N 50398689 CHEMBL2178713 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557875 163347713 CHEMBL2178713 ZINC95575064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220740 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/m0/s1 QDOSQUWDMMMXHC-RDPSFJRHSA-N 50398680 CHEMBL2178150 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15947487 163347704 CHEMBL2178150 ZINC34785853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220741 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H19FN6OS/c1-29-21(31)18-11-30(20-6-5-17(24)10-27-20)13-23(18,28-22(29)26)19-8-16(12-32-19)15-4-2-3-14(7-15)9-25/h2-8,10,12,18H,11,13H2,1H3,(H2,26,28)/t18-,23-/m0/s1 CHTLTXJCMNCJSN-MBSDFSHPSA-N 50398687 CHEMBL2178714 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455427 163347711 CHEMBL2178714 ZINC95574999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220742 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1ccc(s1)-c1ccc(F)c(c1)C#N InChI=1S/C24H19F2N5OS/c1-30-22(32)18-12-31(17-5-3-16(25)4-6-17)13-24(18,29-23(30)28)21-9-8-20(33-21)14-2-7-19(26)15(10-14)11-27/h2-10,18H,12-13H2,1H3,(H2,28,29)/t18-,24-/m0/s1 LWSUSTXYIGVJTM-UUOWRZLLSA-N 50398682 CHEMBL2178149 Beta-secretase 1 Homo sapiens 132 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455394 163347706 CHEMBL2178149 ZINC34787409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220743 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1 JEEOUWBWJFSMIP-IOWSJCHKSA-N 15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm301039c 10.7270/Q2JH3NB7 22989333 Mandal, M; Zhu, Z; Cumming, JN; Liu, X; Strickland, C; Mazzola, RD; Caldwell, JP; Leach, P; Grzelak, M; Hyde, L; Zhang, Q; Terracina, G; Zhang, L; Chen, X; Kuvelkar, R; Kennedy, ME; Favreau, L; Cox, K; Orth, P; Buevich, A; Voigt, J; Wang, H; Kazakevich, I; McKittrick, BA; Greenlee, W; Parker, EM; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CS5 3L58,2QK5 9916309 46516083 ZINC03965949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225109 CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cccnc1F InChI=1S/C19H20FN3O/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23) CWDVWPCLVARJIH-UHFFFAOYSA-N 50432514 CHEMBL2349465 Beta-secretase 1 Homo sapiens 1908 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683200 164161389 CHEMBL2349465 ZINC95604379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225116 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)/t22-/m1/s1 KITXOXOZOIMSTQ-JOCHJYFZSA-N 50432512 CHEMBL2349468 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683709 164161387 CHEMBL2349468 ZINC72317425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225117 CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1 PKQGPMLILUJFKM-LJQANCHMSA-N 50432513 CHEMBL2349467 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67236442 164161388 CHEMBL2349467 ZINC95605247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225118 CC1(C)Cc2ccc(cc2[C@@]2(COC(N)=N2)C1)-c1cncnc1 InChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1 INXKKZAEXZKHNZ-SFHVURJKSA-N 50432509 CHEMBL2349471 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683659 164161384 CHEMBL2349471 ZINC95602820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225119 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 UPOMBIAVTOFWMY-LJQANCHMSA-N 50432510 CHEMBL2349470 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M7 4JPE 66684136 164161385 CHEMBL2349470 ZINC95603140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225120 CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O InChI=1S/C20H19ClFN3OS/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24) GXJIAAQHNJAEQT-UHFFFAOYSA-N 50432531 CHEMBL2349472 Beta-secretase 1 Homo sapiens 66 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624581 164161406 CHEMBL2349472 ZINC95601160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225121 CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)/t20-/m1/s1 QOSNPHUJYRNMGO-HXUWFJFHSA-N 50432511 CHEMBL2349469 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684147 164161386 CHEMBL2349469 ZINC95602933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225122 CC1(C)Cc2ccc(cc2C2(CSC(N)=N2)C1)-c1cncc(Cl)c1 InChI=1S/C19H20ClN3S/c1-18(2)7-13-4-3-12(14-5-15(20)9-22-8-14)6-16(13)19(10-18)11-24-17(21)23-19/h3-6,8-9H,7,10-11H2,1-2H3,(H2,21,23) GXHBPHNVZKIEND-UHFFFAOYSA-N 50432518 CHEMBL2349488 Beta-secretase 1 Homo sapiens 896 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684245 164161393 CHEMBL2349488 ZINC95604720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225123 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccns2)C1=O InChI=1S/C17H18N4O2S/c1-16(2)9-17(14(22)21(3)15(18)20-17)11-8-10(4-5-12(11)23-16)13-6-7-19-24-13/h4-8H,9H2,1-3H3,(H2,18,20) IEVIHEIDGYLQMX-UHFFFAOYSA-N 50432533 CHEMBL2349608 Beta-secretase 1 Homo sapiens 954 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624579 164161408 CHEMBL2349608 ZINC95602078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225124 CC1(C)Cc2ccc(cc2C2(CCSC(N)=N2)C1)-c1cncc(Cl)c1 InChI=1S/C20H22ClN3S/c1-19(2)9-14-4-3-13(15-7-16(21)11-23-10-15)8-17(14)20(12-19)5-6-25-18(22)24-20/h3-4,7-8,10-11H,5-6,9,12H2,1-2H3,(H2,22,24) NNOWXMJGJLIDEA-UHFFFAOYSA-N 50432517 CHEMBL2349489 Beta-secretase 1 Homo sapiens 971 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683751 164161392 CHEMBL2349489 ZINC95604784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225125 CN1C(N)=NC2(CC(C)(C)Oc3ccc(NC(=O)c4ccc(C)o4)cc23)C1=O InChI=1S/C20H22N4O4/c1-11-5-7-15(27-11)16(25)22-12-6-8-14-13(9-12)20(10-19(2,3)28-14)17(26)24(4)18(21)23-20/h5-9H,10H2,1-4H3,(H2,21,23)(H,22,25) YSKSBTBSQASAMG-UHFFFAOYSA-N 50432532 CHEMBL2349609 Beta-secretase 1 Homo sapiens 188 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624580 164161407 CHEMBL2349609 ZINC95604414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225126 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24) YBGCQCRROHLRHP-UHFFFAOYSA-N 50432498 CHEMBL2349490 Beta-secretase 1 Homo sapiens 95 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321730 164161373 CHEMBL2349490 ZINC95603280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225127 COCCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O InChI=1S/C22H24ClN3O3/c1-21(2)13-22(19(27)26(9-10-28-3)20(24)25-22)17-12-15(7-8-18(17)29-21)14-5-4-6-16(23)11-14/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25) MPMKSKFOWRGWNB-UHFFFAOYSA-N 50432521 CHEMBL2349485 Beta-secretase 1 Homo sapiens 1643 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624689 164161396 CHEMBL2349485 ZINC95604402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225128 CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1 InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30) ZWVDHKMVDCTBOB-UHFFFAOYSA-N 50432520 CHEMBL2349486 Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321923 164161395 CHEMBL2349486 ZINC95604143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225129 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(F)c2)C1=O InChI=1S/C19H19FN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23) VXJSSKWZJQSEGW-UHFFFAOYSA-N 50432535 CHEMBL2349606 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322184 164161410 CHEMBL2349606 ZINC95601547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225130 CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cncc(Cl)c1 InChI=1S/C19H20ClN3O/c1-18(2)7-13-4-3-12(14-5-15(20)9-22-8-14)6-16(13)19(10-18)11-24-17(21)23-19/h3-6,8-9H,7,10-11H2,1-2H3,(H2,21,23) HANZPKHAZCWEQZ-UHFFFAOYSA-N 50432519 CHEMBL2349487 Beta-secretase 1 Homo sapiens 222 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66683198 164161394 CHEMBL2349487 ZINC95603484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225131 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C18H19N5O2/c1-17(2)9-18(15(24)23(3)16(19)22-18)13-6-11(4-5-14(13)25-17)12-7-20-10-21-8-12/h4-8,10H,9H2,1-3H3,(H2,19,22) QVGLQSOIBUMPNK-UHFFFAOYSA-N 50432534 CHEMBL2349607 Beta-secretase 1 Homo sapiens 232 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321854 164161409 CHEMBL2349607 ZINC95602985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225132 CN1C(N)=NC2(CC(C)(C)C(=O)c3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H19N5O2/c1-18(2)9-19(16(26)24(3)17(20)23-19)14-6-11(4-5-13(14)15(18)25)12-7-21-10-22-8-12/h4-8,10H,9H2,1-3H3,(H2,20,23) WLPRMBUVPLHGAI-UHFFFAOYSA-N 50432525 CHEMBL2349481 Beta-secretase 1 Homo sapiens 3208 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66684386 164161400 CHEMBL2349481 ZINC95601032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225133 CN1C(N)=NC2(CC(C)(C)C(F)(F)c3ccc(cc23)-c2cncnc2)C1=O InChI=1S/C19H19F2N5O/c1-17(2)9-18(15(27)26(3)16(22)25-18)14-6-11(12-7-23-10-24-8-12)4-5-13(14)19(17,20)21/h4-8,10H,9H2,1-3H3,(H2,22,25) VCWNHNVDZQGTBB-UHFFFAOYSA-N 50432524 CHEMBL2349482 Beta-secretase 1 Homo sapiens 1884 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53494828 164161399 CHEMBL2349482 ZINC95603308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225134 CCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O InChI=1S/C21H22ClN3O2/c1-4-25-18(26)21(24-19(25)23)12-20(2,3)27-17-9-8-14(11-16(17)21)13-6-5-7-15(22)10-13/h5-11H,4,12H2,1-3H3,(H2,23,24) LVSDEOGFBMASFA-UHFFFAOYSA-N 50432523 CHEMBL2349483 Beta-secretase 1 Homo sapiens 1596 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624688 164161398 CHEMBL2349483 ZINC95605794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225135 COc1ccc(F)c(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)15-9-12(5-8-17(15)28-20)14-10-13(27-4)6-7-16(14)22/h5-10H,11H2,1-4H3,(H2,23,24) CHEJNLZFCWFZMD-UHFFFAOYSA-N 50432499 CHEMBL2349619 Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322072 164161374 CHEMBL2349619 ZINC95603579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225136 CSc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H23N3O2S/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)26-20)13-6-5-7-15(10-13)27-4/h5-11H,12H2,1-4H3,(H2,22,23) RWGJWBPBDZOMCK-UHFFFAOYSA-N 50432547 CHEMBL2349495 Beta-secretase 1 Homo sapiens 932 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321905 164161422 CHEMBL2349495 ZINC95602485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225137 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(OC(F)F)c2)C1=O InChI=1S/C21H21F2N3O3/c1-20(2)11-21(17(27)26(3)19(24)25-21)15-10-13(7-8-16(15)29-20)12-5-4-6-14(9-12)28-18(22)23/h4-10,18H,11H2,1-3H3,(H2,24,25) VQNCDPHEWAYVDD-UHFFFAOYSA-N 50432546 CHEMBL2349496 Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321802 164161421 CHEMBL2349496 ZINC95601563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225138 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(F)c2)C1=O InChI=1S/C20H20FN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23) JFRILJOYQQJENP-UHFFFAOYSA-N 50432545 CHEMBL2349497 Beta-secretase 1 Homo sapiens 136 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322079 164161420 CHEMBL2349497 ZINC95603891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225139 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)C1=O InChI=1S/C20H19Cl2N3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24) ZXOLJYUYPJRDLJ-UHFFFAOYSA-N 50432501 CHEMBL2349617 Beta-secretase 1 Homo sapiens 184 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71624098 164161376 CHEMBL2349617 ZINC95603270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225140 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)C2CCCCC2)C1=O InChI=1S/C20H27N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H2,21,22) BEGDFQNYAHOPGF-UHFFFAOYSA-N 50432544 CHEMBL2349498 Beta-secretase 1 Homo sapiens 119 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322085 164161419 CHEMBL2349498 ZINC95604693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225141 COc1cc(F)cc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)16-9-12(5-6-17(16)28-20)13-7-14(22)10-15(8-13)27-4/h5-10H,11H2,1-4H3,(H2,23,24) LMVAIXZOTSBTQU-UHFFFAOYSA-N 50432500 CHEMBL2349618 Beta-secretase 1 Homo sapiens 148 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321840 164161375 CHEMBL2349618 ZINC95605518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225142 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)ccc2F)C1=O InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)14-8-11(4-7-16(14)27-19)13-9-12(21)5-6-15(13)22/h4-9H,10H2,1-3H3,(H2,23,24) OUCIAEQJBJEZJE-UHFFFAOYSA-N 50432497 CHEMBL2349491 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321837 164161372 CHEMBL2349491 ZINC95603520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225143 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccc2)C1=O InChI=1S/C20H21N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,21,22) QZWZVYCEECVWOE-UHFFFAOYSA-N 50432507 CHEMBL2349611 Beta-secretase 1 Homo sapiens 399 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321874 164161382 CHEMBL2349611 ZINC95601501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225144 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O InChI=1S/C20H20ClN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23) MPQDZTDGJUCWQL-UHFFFAOYSA-N 50432506 CHEMBL2349612 Beta-secretase 1 Homo sapiens 107 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M5 4JP9 68322076 164161381 CHEMBL2349612 ZINC95605030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225145 CCOc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C22H25N3O3/c1-5-27-16-8-6-7-14(11-16)15-9-10-18-17(12-15)22(13-21(2,3)28-18)19(26)25(4)20(23)24-22/h6-12H,5,13H2,1-4H3,(H2,23,24) YXCUYUJWKOPTTE-UHFFFAOYSA-N 50432495 CHEMBL2349493 Beta-secretase 1 Homo sapiens 633 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321815 164161370 CHEMBL2349493 ZINC95601571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225146 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C#N)C1=O InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24) LASIJFPKQNWUQE-UHFFFAOYSA-N 50432505 CHEMBL2349613 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1M6 4JPC 46178810 164161380 CHEMBL2349613 ZINC95605903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225147 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C(F)(F)F)C1=O InChI=1S/C21H20F3N3O2/c1-19(2)11-20(17(28)27(3)18(25)26-20)15-10-13(7-8-16(15)29-19)12-5-4-6-14(9-12)21(22,23)24/h4-10H,11H2,1-3H3,(H2,25,26) ZKNFURWSEBVNEE-UHFFFAOYSA-N 50432494 CHEMBL2349494 Beta-secretase 1 Homo sapiens 166 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68322078 164161369 CHEMBL2349494 ZINC95603623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225148 COc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23) ZKJOZWMECIBIDN-UHFFFAOYSA-N 50432504 CHEMBL2349614 Beta-secretase 1 Homo sapiens 164 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71625880 164161379 CHEMBL2349614 ZINC95601888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225150 CC#Cc1cncc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C22H22N4O2/c1-5-6-14-9-16(12-24-11-14)15-7-8-18-17(10-15)22(13-21(2,3)28-18)19(27)26(4)20(23)25-22/h7-12H,13H2,1-4H3,(H2,23,25) VHEAOFTYJBIZJK-UHFFFAOYSA-N 50432537 CHEMBL2349506 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321947 164161412 CHEMBL2349506 ZINC95605787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225152 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C19H19FN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)13-9-11(6-7-14(13)26-18)12-5-4-8-22-15(12)20/h4-9H,10H2,1-3H3,(H2,21,23) DHZIIPKFSBNMSF-UHFFFAOYSA-N 50432536 CHEMBL2349507 Beta-secretase 1 Homo sapiens 94 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321924 164161411 CHEMBL2349507 ZINC95604937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225156 CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1 PKQGPMLILUJFKM-LJQANCHMSA-N 50432513 CHEMBL2349467 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67236442 164161388 CHEMBL2349467 ZINC95605247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225157 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(c2)C(F)(F)F)C1=O InChI=1S/C20H19F3N4O2/c1-18(2)10-19(16(28)27(3)17(24)26-19)14-7-11(4-5-15(14)29-18)12-6-13(9-25-8-12)20(21,22)23/h4-9H,10H2,1-3H3,(H2,24,26) KBLLATQOQMDKKW-UHFFFAOYSA-N 50432538 CHEMBL2349505 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321727 164161413 CHEMBL2349505 ZINC95603951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225158 CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2)C1=O InChI=1S/C19H20N4O2/c1-18(2)11-19(16(24)23(3)17(20)22-19)14-9-12(6-7-15(14)25-18)13-5-4-8-21-10-13/h4-10H,11H2,1-3H3,(H2,20,22) IVIUBEQESHCKKY-UHFFFAOYSA-N 50432541 CHEMBL2349501 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1021/jm4002154 10.7270/Q2JD4Z52 23537249 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68321915 164161416 CHEMBL2349501 ZINC95605574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225159 NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-9-18(15(21)8-28-17(23)26-18)12-5-11(2-3-13(12)20)25-16(27)14-4-1-10(6-22)7-24-14/h1-5,7,15H,8-9H2,(H2,23,26)(H,25,27)/t15-,18+/m0/s1 MMPPCMJOPZGPPA-MAUKXSAKSA-N 50432604 CHEMBL2347186 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H5 4J0Z 66559017 164161479 CHEMBL2347186 ZINC95601194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225160 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H13Cl2F3N4O2/c1-16(17(21,22)7-28-15(23)26-16)10-5-9(2-3-12(10)20)25-14(27)13-11(19)4-8(18)6-24-13/h2-6H,7H2,1H3,(H2,23,26)(H,25,27)/t16-/m1/s1 SAJHJLBNBLIXLI-MRXNPFEDSA-N 50432619 CHEMBL2347193 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241825 164161494 CHEMBL2347193 ZINC95605503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225161 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c20-9-18(6-15(19(22,23)24)31-17(26)29-18)12-5-11(2-3-13(12)21)28-16(30)14-4-1-10(7-25)8-27-14/h1-5,8,15H,6,9H2,(H2,26,29)(H,28,30)/t15-,18+/m0/s1 QCMXWFUAVCHHIA-MAUKXSAKSA-N 50432603 CHEMBL2347187::US9296734, 59 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HM 4J1E 71305057 164161478 CHEMBL2347187 ZINC95602098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225162 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H16ClF3N4O2/c1-9-5-10(19)7-24-14(9)15(27)25-11-3-4-13(20)12(6-11)17(2)18(21,22)8-28-16(23)26-17/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-/m1/s1 LSQOOIQMQSYBNI-QGZVFWFLSA-N 50432620 CHEMBL2347192 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53230332 164161495 CHEMBL2347192 ZINC95603312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225163 C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15-,18+/m0/s1 UMHIFKHNODSZCU-RLFYNMQTSA-N 50432602 CHEMBL2347188 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HG 4J1K 71305061 164161477 CHEMBL2347188 ZINC95601515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225164 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C20H17F7N4O3/c1-18(20(26,27)9-34-17(28)31-18)12-6-10(2-4-13(12)21)30-15(32)14-5-3-11(7-29-14)33-8-19(24,25)16(22)23/h2-7,16H,8-9H2,1H3,(H2,28,31)(H,30,32)/t18-/m1/s1 UHUWMAOCKWUXRP-GOSISDBHSA-N 50432621 CHEMBL2347191 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53240812 164161496 CHEMBL2347191 ZINC95604801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225165 C[C@@]1(N=C(N)O[C@H]([C@@H]1F)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15+,18+/m0/s1 UMHIFKHNODSZCU-HDMKZQKVSA-N 50432597 CHEMBL2347189 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HH 4J1I 71305060 164161472 CHEMBL2347189 ZINC95601469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225166 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CO1 InChI=1S/C18H13F4N5O2/c19-8-17(18(21,22)9-29-16(24)27-17)12-5-11(2-3-13(12)20)26-15(28)14-4-1-10(6-23)7-25-14/h1-5,7H,8-9H2,(H2,24,27)(H,26,28)/t17-/m1/s1 OIFTUNMTFHXWBX-QGZVFWFLSA-N 50432596 CHEMBL2347190 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HO 4J1C 71112644 164161471 CHEMBL2347190 ZINC95601495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225167 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CO1 InChI=1S/C18H13F4N5O2/c19-8-17(18(21,22)9-29-16(24)27-17)12-5-11(2-3-13(12)20)26-15(28)14-4-1-10(6-23)7-25-14/h1-5,7H,8-9H2,(H2,24,27)(H,26,28)/t17-/m1/s1 OIFTUNMTFHXWBX-QGZVFWFLSA-N 50432596 CHEMBL2347190 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HO 4J1C 71112644 164161471 CHEMBL2347190 ZINC95601495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225168 C[C@@]1(N=C(N)O[C@H]([C@@H]1F)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15+,18+/m0/s1 UMHIFKHNODSZCU-HDMKZQKVSA-N 50432597 CHEMBL2347189 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HH 4J1I 71305060 164161472 CHEMBL2347189 ZINC95601469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225169 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C20H17F7N4O3/c1-18(20(26,27)9-34-17(28)31-18)12-6-10(2-4-13(12)21)30-15(32)14-5-3-11(7-29-14)33-8-19(24,25)16(22)23/h2-7,16H,8-9H2,1H3,(H2,28,31)(H,30,32)/t18-/m1/s1 UHUWMAOCKWUXRP-GOSISDBHSA-N 50432621 CHEMBL2347191 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53240812 164161496 CHEMBL2347191 ZINC95604801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225170 C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15-,18+/m0/s1 UMHIFKHNODSZCU-RLFYNMQTSA-N 50432602 CHEMBL2347188 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HG 4J1K 71305061 164161477 CHEMBL2347188 ZINC95601515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225171 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H16ClF3N4O2/c1-9-5-10(19)7-24-14(9)15(27)25-11-3-4-13(20)12(6-11)17(2)18(21,22)8-28-16(23)26-17/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-/m1/s1 LSQOOIQMQSYBNI-QGZVFWFLSA-N 50432620 CHEMBL2347192 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53230332 164161495 CHEMBL2347192 ZINC95603312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225172 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H13Cl2F3N4O2/c1-16(17(21,22)7-28-15(23)26-16)10-5-9(2-3-12(10)20)25-14(27)13-11(19)4-8(18)6-24-13/h2-6H,7H2,1H3,(H2,23,26)(H,25,27)/t16-/m1/s1 SAJHJLBNBLIXLI-MRXNPFEDSA-N 50432619 CHEMBL2347193 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241825 164161494 CHEMBL2347193 ZINC95605503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225173 NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F5N5O2/c20-9-18(6-15(19(22,23)24)31-17(26)29-18)12-5-11(2-3-13(12)21)28-16(30)14-4-1-10(7-25)8-27-14/h1-5,8,15H,6,9H2,(H2,26,29)(H,28,30)/t15-,18+/m0/s1 QCMXWFUAVCHHIA-MAUKXSAKSA-N 50432603 CHEMBL2347187::US9296734, 59 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HM 4J1E 71305057 164161478 CHEMBL2347187 ZINC95602098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225174 NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-9-18(15(21)8-28-17(23)26-18)12-5-11(2-3-13(12)20)25-16(27)14-4-1-10(6-22)7-24-14/h1-5,7,15H,8-9H2,(H2,23,26)(H,25,27)/t15-,18+/m0/s1 MMPPCMJOPZGPPA-MAUKXSAKSA-N 50432604 CHEMBL2347186 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H5 4J0Z 66559017 164161479 CHEMBL2347186 ZINC95601194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225175 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225176 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H13ClF5N5O2/c1-15(16(21,22)6-29-14(23)25-15)8-4-7(2-3-10(8)18)24-12(28)11-9(17)5-27(26-11)13(19)20/h2-5,13H,6H2,1H3,(H2,23,25)(H,24,28)/t15-/m1/s1 YEHRNWYFLZJYAG-OAHLLOKOSA-N 50432610 CHEMBL2347202 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241302 164161485 CHEMBL2347202 ZINC95602453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225177 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C16H14F5N5O2/c1-15(16(20,21)7-28-14(22)24-15)9-6-8(2-3-10(9)17)23-12(27)11-4-5-26(25-11)13(18)19/h2-6,13H,7H2,1H3,(H2,22,24)(H,23,27)/t15-/m1/s1 ZGKZXHJOPQGOHJ-OAHLLOKOSA-N 50432611 CHEMBL2347201 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241206 164161486 CHEMBL2347201 ZINC95604776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225178 Cn1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C16H15ClF3N5O2/c1-15(16(19,20)7-27-14(21)23-15)9-5-8(3-4-11(9)18)22-13(26)12-10(17)6-25(2)24-12/h3-6H,7H2,1-2H3,(H2,21,23)(H,22,26)/t15-/m1/s1 YAOLSFUTRVAXLB-OAHLLOKOSA-N 50432612 CHEMBL2347200 Beta-secretase 1 Homo sapiens 131 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241937 164161487 CHEMBL2347200 ZINC95605312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225179 Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C16H16F3N5O2/c1-15(16(18,19)8-26-14(20)22-15)10-7-9(3-4-11(10)17)21-13(25)12-5-6-24(2)23-12/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,25)/t15-/m1/s1 OTZXLWIDYPQTOQ-OAHLLOKOSA-N 50432613 CHEMBL2347199 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241205 164161488 CHEMBL2347199 ZINC95604129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225180 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C20H18F3N5O3/c1-3-4-7-30-16-10-25-15(9-26-16)17(29)27-12-5-6-14(21)13(8-12)19(2)20(22,23)11-31-18(24)28-19/h5-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,27,29)/t19-/m1/s1 RULHZYOVKRJKJG-LJQANCHMSA-N 50432614 CHEMBL2347198 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71619629 164161489 CHEMBL2347198 ZINC95602452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225181 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C19H16F3N5O3/c1-3-6-29-15-9-24-14(8-25-15)16(28)26-11-4-5-13(20)12(7-11)18(2)19(21,22)10-30-17(23)27-18/h1,4-5,7-9H,6,10H2,2H3,(H2,23,27)(H,26,28)/t18-/m1/s1 VZVGCEGYUMDYMU-GOSISDBHSA-N 50432615 CHEMBL2347197 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71718352 164161490 CHEMBL2347197 ZINC95601539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212934 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NS(C)(=O)=O)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H40F2N4O4S/c1-18(35)33-24(13-19-11-22(29)15-23(30)12-19)25(36)16-32-28(10-9-26(31-17-28)34-39(5,37)38)21-8-6-7-20(14-21)27(2,3)4/h6-8,11-12,14-15,24-26,31-32,34,36H,9-10,13,16-17H2,1-5H3,(H,33,35)/t24-,25+,26-,28-/m0/s1 MMCCCNBFTJJMNA-RVUATISTSA-N 50302867 CHEMBL583546::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(methylsulfonamido)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45487005 104157228 CHEMBL583546 ZINC49722929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212935 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCNCC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H37F2N3O2/c1-18(33)32-24(14-19-12-22(28)16-23(29)13-19)25(34)17-31-27(8-10-30-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30-31,34H,8-11,14,17H2,1-4H3,(H,32,33)/t24-,25+/m0/s1 PVEXNAJZUOXCQE-LOSJGSFVSA-N 50302835 CHEMBL566809::N-((2S,3R)-4-(4-(3-tert-butylphenyl)piperidin-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4700 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486942 104157196 CHEMBL566809 ZINC34443460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212936 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 RJXIEHBFRZLGTH-IZZNHLLZSA-N 50302841 CHEMBL571860::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1LI 3IVH 11754571 104157202 CHEMBL571860 ZINC36413296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212937 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCN(CC1)C(N)=O)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N4O3/c1-18(35)33-24(14-19-12-22(29)16-23(30)13-19)25(36)17-32-28(8-10-34(11-9-28)26(31)37)21-7-5-6-20(15-21)27(2,3)4/h5-7,12-13,15-16,24-25,32,36H,8-11,14,17H2,1-4H3,(H2,31,37)(H,33,35)/t24-,25+/m0/s1 WKPYEYRMQAMPIL-LOSJGSFVSA-N 50302842 4-((2R,3S)-3-acetamido-4-( 3,5-difluorophenyl)-2-hydroxybutylamino)-4-(3-tert-butylphenyl)piperidine-1-carboxamide::CHEMBL584936 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486956 104157203 CHEMBL584936 ZINC45318686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212938 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NO)NC1)c1cccc(c1)C(C)(C)C InChI=1S/C27H38F2N4O3/c1-17(34)32-23(12-18-10-21(28)14-22(29)11-18)24(35)15-31-27(9-8-25(33-36)30-16-27)20-7-5-6-19(13-20)26(2,3)4/h5-7,10-11,13-14,23-25,30-31,33,35-36H,8-9,12,15-16H2,1-4H3,(H,32,34)/t23-,24+,25-,27-/m0/s1 TYBWKRPHNREMTD-SFIUMABJSA-N 50302863 CHEMBL583034::N-((2S,3R)-4-((3R,6S)-3-(3-tert-butylphenyl)-6-(hydroxyamino)piperidin-3-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2009.09.061 10.7270/Q23779NV 19811916 Sealy, JM; Truong, AP; Tso, L; Probst, GD; Aquino, J; Hom, RK; Jagodzinska, BM; Dressen, D; Wone, DW; Brogley, L; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Dappen, MS; Toth, G; Pan, H; Ruslim, L; Miller, J; Bova, MP; Sinha, S; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45486957 104157224 CHEMBL583034 ZINC45318361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50212973 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1 JZYWSTGTBRHGTL-BIXXXADNSA-N 50302107 CHEMBL567893::Grassystatin A Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1021/jm9009394 10.7270/Q2BG2PXP 19715320 Kwan, JC; Eksioglu, EA; Liu, C; Paul, VJ; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44255320 104156468 CHEMBL567893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214035 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 InChI=1S/C33H24O10/c1-39-19-11-21(35)31-22(36)13-27(42-29(31)12-19)17-6-9-25(40-2)20(10-17)30-28(41-3)15-24(38)32-23(37)14-26(43-33(30)32)16-4-7-18(34)8-5-16/h4-15,34,36,38H,1-3H3 DTOWULLJXLUYDN-UHFFFAOYSA-N 50323205 7,7'',4'-tri-O-methylamentoflavone::7-O-methyl-isoginkgetin::CHEMBL208578 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 12018906 117644526 CHEMBL208578 ZINC43524275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214036 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H ZGYUPHWIDDUUKZ-UHFFFAOYSA-N 50323212 6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one::CHEMBL63677::ROBUSTAFLAVONE Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281694 117644533 8881 CHEMBL63677 ZINC04098601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214037 COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-34,36,38H,1H3 BMNIKONLDGLLMX-UHFFFAOYSA-N 50323197 7''-O-methylamentoflavone::CHEMBL450522::sotetsuflavone Beta-secretase 1 Homo sapiens 1580 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5494868 117644518 CHEMBL450522 ZINC44351165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214038 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 InChI=1S/C34H26O10/c1-39-19-8-5-17(6-9-19)27-15-24(37)33-25(38)16-29(42-4)31(34(33)44-27)21-11-18(7-10-26(21)41-3)28-14-23(36)32-22(35)12-20(40-2)13-30(32)43-28/h5-16,36,38H,1-4H3 BBNOOYIGRYNYQJ-UHFFFAOYSA-N 50323209 7,4',7'',4'''-O-methyl-amentoflavone::CHEMBL378516::amentoflavone-7,7'',4',4'''-tetramethyl ether Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5490003 117644530 CHEMBL378516 ZINC44031885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214039 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,35-37H,1-3H3 QVCSRVASXGHFAQ-UHFFFAOYSA-N 50323206 CHEMBL208908::sciadopitisin::sciadopitysin Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281696 117644527 9050 CHEMBL208908 ZINC01531697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214040 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34,36,38H,1-3H3 FCQMIBDRYZYMJV-UHFFFAOYSA-N 50323208 CHEMBL453479::kayaflavone Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9894522 117644529 CHEMBL453479 ZINC03204049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214041 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1 InChI=1S/C29H39F2N3O3/c1-21(35)33-27(17-22-15-24(30)19-25(31)16-22)28(36)20-32-29(9-3-2-4-10-29)23-7-5-8-26(18-23)34-11-6-13-37-14-12-34/h5,7-8,15-16,18-19,27-28,32,36H,2-4,6,9-14,17,20H2,1H3,(H,33,35)/t27-,28+/m0/s1 LKMGTFRKDSLFSR-WUFINQPMSA-N 50323481 CHEMBL1209355::N-((2S,3R)-4-(1-(3-(1,4-oxazepan-4-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862408 117644802 CHEMBL1209355 ZINC58519991 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214042 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccoc1 InChI=1S/C28H32F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-8,11-13,15-16,18,26-27,31,34H,2-4,9-10,14,17H2,1H3,(H,32,33)/t26-,27+/m0/s1 RYYWVRRAUVZHKS-RRPNLBNLSA-N 50323501 CHEMBL1208998::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-(furan-3-yl)phenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862118 117644822 CHEMBL1208998 ZINC58523553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214043 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccco1 InChI=1S/C28H32F2N2O3/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5-9,12-14,16-17,25-26,31,34H,2-4,10-11,15,18H2,1H3,(H,32,33)/t25-,26+/m0/s1 KEDWPGTVUZDEGU-IZZNHLLZSA-N 50323502 CHEMBL1208997::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-(furan-2-yl)phenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862117 117644823 CHEMBL1208997 ZINC58523742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214044 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccccc1 InChI=1S/C24H30F2N2O2/c1-17(29)28-22(14-18-12-20(25)15-21(26)13-18)23(30)16-27-24(10-6-3-7-11-24)19-8-4-2-5-9-19/h2,4-5,8-9,12-13,15,22-23,27,30H,3,6-7,10-11,14,16H2,1H3,(H,28,29)/t22-,23+/m0/s1 UMUHOBWIAFTTAO-XZOQPEGZSA-N 50323513 CHEMBL1208803::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-phenylcyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862830 117644834 CHEMBL1208803 ZINC58487423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214045 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cccs1 InChI=1S/C28H32F2N2O2S/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5-9,12-14,16-17,25-26,31,34H,2-4,10-11,15,18H2,1H3,(H,32,33)/t25-,26+/m0/s1 FWWAEKQHRVOHHS-IZZNHLLZSA-N 50323499 CHEMBL1209054::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(thiophen-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862159 117644820 CHEMBL1209054 ZINC58534437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214046 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C#N InChI=1S/C25H29F2N3O2/c1-17(31)30-23(13-19-11-21(26)14-22(27)12-19)24(32)16-29-25(8-3-2-4-9-25)20-7-5-6-18(10-20)15-28/h5-7,10-12,14,23-24,29,32H,2-4,8-9,13,16H2,1H3,(H,30,31)/t23-,24+/m0/s1 NQOYMRYZCDDPDD-BJKOFHAPSA-N 50323505 CHEMBL1208934::N-((2S,3R)-4-(1-(3-cyanophenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 6200 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862077 117644826 CHEMBL1208934 ZINC58534677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214047 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccsc1 InChI=1S/C28H32F2N2O2S/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-8,11-13,15-16,18,26-27,31,34H,2-4,9-10,14,17H2,1H3,(H,32,33)/t26-,27+/m0/s1 MMERFYVNJACFER-RRPNLBNLSA-N 50323500 CHEMBL1208999::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(thiophen-3-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10368645 117644821 CHEMBL1208999 ZINC38662046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214048 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C#N InChI=1S/C28H35F2N3O2/c1-19(34)33-25(14-20-12-23(29)16-24(30)13-20)26(35)17-32-28(10-5-4-6-11-28)22-9-7-8-21(15-22)27(2,3)18-31/h7-9,12-13,15-16,25-26,32,35H,4-6,10-11,14,17H2,1-3H3,(H,33,34)/t25-,26+/m0/s1 HDLQUIILQOTKOY-IZZNHLLZSA-N 50323506 CHEMBL1208933::N-((2S,3R)-4-(1-(3-(2-cyanopropan-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 166 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862076 117644827 CHEMBL1208933 ZINC58632359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214049 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1ccnc1 InChI=1S/C27H32F2N4O2/c1-19(34)32-25(14-20-12-22(28)16-23(29)13-20)26(35)17-31-27(8-3-2-4-9-27)21-6-5-7-24(15-21)33-11-10-30-18-33/h5-7,10-13,15-16,18,25-26,31,35H,2-4,8-9,14,17H2,1H3,(H,32,34)/t25-,26+/m0/s1 AGZWJSVSGAGFQV-IZZNHLLZSA-N 50323497 CHEMBL1209056::N-((2S,3R)-4-(1-(3-(1H-imidazol-1-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862161 117644818 CHEMBL1209056 ZINC58523369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214050 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)S(C)(=O)=O InChI=1S/C25H32F2N2O4S/c1-17(30)29-23(13-18-11-20(26)15-21(27)12-18)24(31)16-28-25(9-4-3-5-10-25)19-7-6-8-22(14-19)34(2,32)33/h6-8,11-12,14-15,23-24,28,31H,3-5,9-10,13,16H2,1-2H3,(H,29,30)/t23-,24+/m0/s1 STSQRZUZZJGMPW-BJKOFHAPSA-N 50323503 CHEMBL1208936::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(methylsulfonyl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862079 117644824 CHEMBL1208936 ZINC58632681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214032 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3 UKLAHHWAQSGYQK-UHFFFAOYSA-N 50323195 CHEMBL255493::sequoiaflavone Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5484010 117644516 CHEMBL255493 ZINC29042407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214033 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33,35-37H,1-2H3 VRZTWPRKGZGEDI-UHFFFAOYSA-N 50323201 CHEMBL144630::podocarpusflavone B::putraflavone Beta-secretase 1 Homo sapiens 4210 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5320646 117644522 CHEMBL144630 ZINC03594862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214034 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H LADPNODMUXOPRG-UHFFFAOYSA-N 50323213 CHEMBL1208973::cupressuflavone Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.021 10.7270/Q2GT5P46 20598535 Sasaki, H; Miki, K; Kinoshita, K; Koyama, K; Juliawaty, LD; Achmad, SA; Hakim, EH; Kaneda, M; Takahashi, K Shujitsu University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281609 117644534 3960 CHEMBL1208973 C10034 ZINC04098511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214052 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cscn1 InChI=1S/C27H31F2N3O2S/c1-18(33)32-24(12-19-10-22(28)14-23(29)11-19)26(34)15-31-27(8-3-2-4-9-27)21-7-5-6-20(13-21)25-16-35-17-30-25/h5-7,10-11,13-14,16-17,24,26,31,34H,2-4,8-9,12,15H2,1H3,(H,32,33)/t24-,26+/m0/s1 WWYQZCKTIDDNOQ-AZGAKELHSA-N 50323498 CHEMBL1209055::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(thiazol-4-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862160 117644819 CHEMBL1209055 ZINC58631375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214053 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)CO InChI=1S/C28H38F2N2O3/c1-19(34)32-25(14-20-12-23(29)16-24(30)13-20)26(35)17-31-28(10-5-4-6-11-28)22-9-7-8-21(15-22)27(2,3)18-33/h7-9,12-13,15-16,25-26,31,33,35H,4-6,10-11,14,17-18H2,1-3H3,(H,32,34)/t25-,26+/m0/s1 AMEOCKPYHSSHSL-IZZNHLLZSA-N 50323504 CHEMBL1208935::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(1-hydroxy-2-methylpropan-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862078 117644825 CHEMBL1208935 ZINC58534688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214054 CCc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C26H34F2N2O2/c1-3-19-8-7-9-21(12-19)26(10-5-4-6-11-26)29-17-25(32)24(30-18(2)31)15-20-13-22(27)16-23(28)14-20/h7-9,12-14,16,24-25,29,32H,3-6,10-11,15,17H2,1-2H3,(H,30,31)/t24-,25+/m0/s1 QJBDADQASJTUQI-LOSJGSFVSA-N 50323512 CHEMBL1209893::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-ethylphenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 690 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10366180 117644833 CHEMBL1209893 ZINC38657405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214055 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1nccn1 InChI=1S/C26H31F2N5O2/c1-18(34)32-24(14-19-12-21(27)16-22(28)13-19)25(35)17-29-26(8-3-2-4-9-26)20-6-5-7-23(15-20)33-30-10-11-31-33/h5-7,10-13,15-16,24-25,29,35H,2-4,8-9,14,17H2,1H3,(H,32,34)/t24-,25+/m0/s1 OWCGQYLBTBEMDE-LOSJGSFVSA-N 50323496 CHEMBL1209057::N-((2S,3R)-4-(1-(3-(2H-1,2,3-triazol-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 7700 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862162 117644817 CHEMBL1209057 ZINC58540942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214056 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)=C InChI=1S/C27H34F2N2O2/c1-18(2)21-8-7-9-22(15-21)27(10-5-4-6-11-27)30-17-26(33)25(31-19(3)32)14-20-12-23(28)16-24(29)13-20/h7-9,12-13,15-16,25-26,30,33H,1,4-6,10-11,14,17H2,2-3H3,(H,31,32)/t25-,26+/m0/s1 DRMYJMOXBWLRAA-IZZNHLLZSA-N 50323511 CHEMBL1209894::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(prop-1-en-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862831 117644832 CHEMBL1209894 ZINC58482715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214058 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 RJXIEHBFRZLGTH-IZZNHLLZSA-N 50302841 CHEMBL571860::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1LI 3IVH 11754571 104157202 CHEMBL571860 ZINC36413296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214059 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 QXNFPOMRKODYSK-IZZNHLLZSA-N 50302838 CHEMBL572081::N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 842 3N4L,4I0J 45486979 104157199 CHEMBL572081 ZINC45286908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214060 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCCO1 InChI=1S/C26H32F2N2O3/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(8-9-26)20-6-4-5-19(14-20)25-7-2-3-10-33-25/h4-6,11-12,14-15,23-25,29,32H,2-3,7-10,13,16H2,1H3,(H,30,31)/t23-,24+,25?/m0/s1 OPNYLVKDDWJTDR-ZXABPTRBSA-N 50323478 CHEMBL1209358::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydro-2H-pyran-2-yl)phenyl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862411 117644799 CHEMBL1209358 ZINC62224437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214061 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1=O InChI=1S/C29H37F2N3O4/c1-20(35)33-26(15-21-13-23(30)17-24(31)14-21)27(36)18-32-29(9-3-2-4-10-29)22-7-5-8-25(16-22)34-11-6-12-38-19-28(34)37/h5,7-8,13-14,16-17,26-27,32,36H,2-4,6,9-12,15,18-19H2,1H3,(H,33,35)/t26-,27+/m0/s1 PCWSXIPKKVFNIH-RRPNLBNLSA-N 50323483 CHEMBL1209285::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(3-oxo-1,4-oxazepan-4-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 750 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862344 117644804 CHEMBL1209285 ZINC58540936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214062 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOCOC1 InChI=1S/C29H38F2N2O4/c1-20(34)33-27(14-21-12-25(30)16-26(31)13-21)28(35)17-32-29(9-3-2-4-10-29)24-7-5-6-22(15-24)23-8-11-36-19-37-18-23/h5-7,12-13,15-16,23,27-28,32,35H,2-4,8-11,14,17-19H2,1H3,(H,33,34)/t23?,27-,28+/m0/s1 SNCUIVJNMNJXKM-WHWDJVTISA-N 50323482 CHEMBL1209286::N-((2S,3R)-4-(1-(3-(1,3-dioxepan-5-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862345 117644803 CHEMBL1209286 ZINC62224449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214063 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCNC1=O InChI=1S/C28H36F2N4O3/c1-19(35)33-25(15-20-13-22(29)17-23(30)14-20)26(36)18-32-28(9-3-2-4-10-28)21-7-5-8-24(16-21)34-12-6-11-31-27(34)37/h5,7-8,13-14,16-17,25-26,32,36H,2-4,6,9-12,15,18H2,1H3,(H,31,37)(H,33,35)/t25-,26+/m0/s1 ZKBURWOWKRJMHV-IZZNHLLZSA-N 50323484 CHEMBL1209284::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxotetrahydropyrimidin-1(2H)-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862343 117644805 CHEMBL1209284 ZINC58538370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214064 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2 InChI=1S/C26H31F2N3O3/c1-16(32)30-24(9-17-7-19(27)11-20(28)8-17)25(33)13-29-26(5-6-26)18-3-2-4-21(10-18)31-14-23-12-22(31)15-34-23/h2-4,7-8,10-11,22-25,29,33H,5-6,9,12-15H2,1H3,(H,30,32)/t22?,23?,24-,25+/m0/s1 VVZYJILCHBDRDY-ZOOXZOTBSA-N 50323476 CHEMBL1209419::N-((2S,3R)-4-(1-(3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862454 117644797 CHEMBL1209419 ZINC58511834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214077 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOCC1=O InChI=1S/C28H35F2N3O4/c1-19(34)32-25(14-20-12-22(29)16-23(30)13-20)26(35)17-31-28(8-3-2-4-9-28)21-6-5-7-24(15-21)33-10-11-37-18-27(33)36/h5-7,12-13,15-16,25-26,31,35H,2-4,8-11,14,17-18H2,1H3,(H,32,34)/t25-,26+/m0/s1 HKSCWIPGCWNQID-IZZNHLLZSA-N 50323485 CHEMBL1209223::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(3-oxomorpholino)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862293 117644806 CHEMBL1209223 ZINC58655573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214083 CN(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C26H35F2N3O2/c1-18(32)30-24(14-19-12-21(27)16-22(28)13-19)25(33)17-29-26(10-5-4-6-11-26)20-8-7-9-23(15-20)31(2)3/h7-9,12-13,15-16,24-25,29,33H,4-6,10-11,14,17H2,1-3H3,(H,30,32)/t24-,25+/m0/s1 WJBYIOPHMFCESO-LOSJGSFVSA-N 50323507 CHEMBL1208874::N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-(dimethylamino)phenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862039 117644828 CHEMBL1208874 ZINC58538199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214092 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CCC1C2 InChI=1S/C27H33F2N3O2/c1-17(33)31-25(12-19-9-21(28)14-22(29)10-19)26(34)15-30-27(7-8-27)20-3-2-4-23(13-20)32-16-18-5-6-24(32)11-18/h2-4,9-10,13-14,18,24-26,30,34H,5-8,11-12,15-16H2,1H3,(H,31,33)/t18?,24?,25-,26+/m0/s1 HBESBLSFMMMSSP-XUGQPUMOSA-N 50323475 CHEMBL1209420::N-((2S,3R)-4-(1-(3-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862455 117644796 CHEMBL1209420 ZINC58512068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214098 CC(C)Cc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C28H38F2N2O2/c1-19(2)12-21-8-7-9-23(13-21)28(10-5-4-6-11-28)31-18-27(34)26(32-20(3)33)16-22-14-24(29)17-25(30)15-22/h7-9,13-15,17,19,26-27,31,34H,4-6,10-12,16,18H2,1-3H3,(H,32,33)/t26-,27+/m0/s1 CRIKADMEFALWEC-RRPNLBNLSA-N 50323508 CHEMBL1208873::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-isobutylphenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 810 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10005029 117644829 CHEMBL1208873 ZINC58540805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214100 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1C2CCC(C2)C1=O InChI=1S/C30H37F2N3O3/c1-19(36)34-27(14-20-12-23(31)17-24(32)13-20)28(37)18-33-30(10-3-2-4-11-30)22-6-5-7-25(16-22)35-26-9-8-21(15-26)29(35)38/h5-7,12-13,16-17,21,26-28,33,37H,2-4,8-11,14-15,18H2,1H3,(H,34,36)/t21?,26?,27-,28+/m0/s1 OYEGKOBVNHEMFR-YSDFFMNWSA-N 50323487 CHEMBL1209221::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 340 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862291 117644808 CHEMBL1209221 ZINC62224454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214101 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1COCCO1 InChI=1S/C25H30F2N2O4/c1-16(30)29-22(11-17-9-20(26)13-21(27)10-17)23(31)14-28-25(5-6-25)19-4-2-3-18(12-19)24-15-32-7-8-33-24/h2-4,9-10,12-13,22-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t22-,23+,24?/m0/s1 NGSPCALCYZCXEJ-XAGPSQNTSA-N 50323477 CHEMBL1209418::N-((2S,3R)-4-(1-(3-(1,4-dioxan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862453 117644798 CHEMBL1209418 ZINC60328417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216311 C[C@@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24+,25+,26-,29+/m1/s1 CRGWWTXQCKYBTB-BPJDSAOGSA-N 50383842 CHEMBL2029366 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68699589 160862925 CHEMBL2029366 ZINC84671526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216312 C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29-/m0/s1 VGPAVXVDUMLUPB-ILKWIWLGSA-N 50383846 CHEMBL2031142 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690011 160862929 CHEMBL2031142 ZINC84652134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216313 C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29+/m0/s1 ZHVCBZIDBYSYJA-SHZUVJBESA-N 50383845 CHEMBL2031141 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67304745 160862928 CHEMBL2031141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216314 C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1 ZHVCBZIDBYSYJA-NORWIQRMSA-N 50383844 CHEMBL2031140 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67304745 160862927 CHEMBL2031140 ZINC84652133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216315 C[C@H]1CC[C@@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29+/m0/s1 CRGWWTXQCKYBTB-SHZUVJBESA-N 50383843 CHEMBL2031139 Beta-secretase 1 Homo sapiens >40000 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68694228 160862926 CHEMBL2031139 ZINC84670979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216316 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(F)(F)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H36F3N3O3/c1-17(35)34-22(10-18-5-7-20(29)8-6-18)24(36)14-32-23-12-27(15-28(30,31)16-27)37-25-21(23)9-19(13-33-25)11-26(2,3)4/h5-9,13,22-24,32,36H,10-12,14-16H2,1-4H3,(H,34,35)/t22-,23-,24+/m0/s1 SONMRCAKXOZZEP-KMDXXIMOSA-N 50383852 CHEMBL2031146 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696325 160862935 CHEMBL2031146 ZINC84668414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216317 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-6-5-7-20(29)8-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28+/m0/s1 KNVGUGLUCJPLGZ-LRJSQAIZSA-N 50383851 CHEMBL2031145 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70687986 160862934 CHEMBL2031145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216318 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1 MCGUJRKODGUNIJ-CGDFKPNQSA-N 50383848 CHEMBL2031144 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692159 160862931 CHEMBL2031144 ZINC84652515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216319 C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29+/m0/s1 VGPAVXVDUMLUPB-WWGZABKCSA-N 50383847 CHEMBL2031143 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690011 160862930 CHEMBL2031143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216320 CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1 InChI=1S/C28H37F2N3O4/c1-27(2,3)10-18-8-21-23(13-28(11-20(34)12-28)37-26(21)32-15-18)31-16-24(35)22(33-25(36)14-29)9-17-4-6-19(30)7-5-17/h4-8,15,20,22-24,31,34-35H,9-14,16H2,1-3H3,(H,33,36)/t20-,22-,23-,24+,28+/m0/s1 QDNYUOBQNJAFJZ-KCNRKALRSA-N 50383856 CHEMBL2031150 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681599 160862939 CHEMBL2031150 ZINC84652295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216321 CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C24H37N3O4/c1-6-7-19(27-15(2)28)21(30)14-25-20-12-24(10-17(29)11-24)31-22-18(20)8-16(13-26-22)9-23(3,4)5/h6,8,13,17,19-21,25,29-30H,1,7,9-12,14H2,2-5H3,(H,27,28)/t17-,19-,20-,21+,24+/m0/s1 VZTLFHHYQQNUSZ-CCCKFAPSSA-N 50383857 CHEMBL2031151 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60168051 160862940 CHEMBL2031151 ZINC84653649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216322 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28+/m0/s1 WRMXZVCISFLWNB-LRJSQAIZSA-N 50383854 CHEMBL2031148 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60168050 160862937 CHEMBL2031148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216323 COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O5/c1-28(2,3)11-19-9-22-24(14-29(12-21(34)13-29)38-27(22)32-15-19)31-16-25(35)23(33-26(36)17-37-4)10-18-5-7-20(30)8-6-18/h5-9,15,21,23-25,31,34-35H,10-14,16-17H2,1-4H3,(H,33,36)/t21-,23-,24-,25+,29+/m0/s1 BTFSGRXNMSERHF-XULSNMAVSA-N 50383855 CHEMBL2031149 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681598 160862938 CHEMBL2031149 ZINC84652294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216324 C[C@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1 CRGWWTXQCKYBTB-NORWIQRMSA-N 50383841 CHEMBL2031000 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68696955 160862924 CHEMBL2031000 ZINC84652112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216325 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 FBJQDUYQPYABBR-CCDWMCETSA-N 50383839 CHEMBL2030997 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0MP 4DUS 60202322 160862922 CHEMBL2030997 ZINC84671119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216326 COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C29H40FN3O5/c1-28(2,3)11-19-9-22-24(14-29(12-21(34)13-29)38-27(22)32-15-19)31-16-25(35)23(33-26(36)17-37-4)10-18-5-7-20(30)8-6-18/h5-9,15,21,23-25,31,34-35H,10-14,16-17H2,1-4H3,(H,33,36)/t21-,23-,24-,25+,29+/m0/s1 BTFSGRXNMSERHF-XULSNMAVSA-N 50383855 CHEMBL2031149 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681598 160862938 CHEMBL2031149 ZINC84652294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216327 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1 ZJIPAWSHYBXAKX-CCDWMCETSA-N 50383838 CHEMBL2030996 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67306893 160862921 CHEMBL2030996 ZINC84671033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216328 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28+/m0/s1 WRMXZVCISFLWNB-LRJSQAIZSA-N 50383854 CHEMBL2031148 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60168050 160862937 CHEMBL2031148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216329 C[C@@H]1CC[C@@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24+,25+,26-,29-/m1/s1 CRGWWTXQCKYBTB-QGGYJBCKSA-N 50383858 CHEMBL2031138 Beta-secretase 1 Homo sapiens 30500 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68697749 160862941 CHEMBL2031138 ZINC84671525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216330 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28+/m0/s1 MCGUJRKODGUNIJ-LRJSQAIZSA-N 50383849 CHEMBL2030995 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692159 160862932 CHEMBL2030995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216331 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-6-5-7-20(29)8-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1 KNVGUGLUCJPLGZ-CGDFKPNQSA-N 50383850 CHEMBL2030994 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70687986 160862933 CHEMBL2030994 ZINC84653395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216332 CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C24H37N3O3/c1-6-8-19(27-16(2)28)21(29)15-25-20-13-24(9-7-10-24)30-22-18(20)11-17(14-26-22)12-23(3,4)5/h6,11,14,19-21,25,29H,1,7-10,12-13,15H2,2-5H3,(H,27,28)/t19-,20-,21+/m0/s1 WVTSAVVWOORODQ-PCCBWWKXSA-N 50383840 CHEMBL2030999 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57515809 160862923 CHEMBL2030999 ZINC84671123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216333 CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C24H37N3O4/c1-6-7-19(27-15(2)28)21(30)14-25-20-12-24(10-17(29)11-24)31-22-18(20)8-16(13-26-22)9-23(3,4)5/h6,8,13,17,19-21,25,29-30H,1,7,9-12,14H2,2-5H3,(H,27,28)/t17-,19-,20-,21+,24+/m0/s1 VZTLFHHYQQNUSZ-CCCKFAPSSA-N 50383857 CHEMBL2031151 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60168051 160862940 CHEMBL2031151 ZINC84653649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217354 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@@H](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c2ccccc2)c1 InChI=1S/C35H44N4O6S/c1-24(2)27-14-10-11-25(17-27)21-36-22-33(40)32-23-45-16-9-8-15-31(26-12-6-5-7-13-26)37-34(41)28-18-29(35(42)38-32)20-30(19-28)39(3)46(4,43)44/h5-14,17-20,24,31-33,36,40H,15-16,21-23H2,1-4H3,(H,37,41)(H,38,42)/b9-8+/t31-,32+,33-/m1/s1 XYJDOUBLYLOJJL-CALUMKGBSA-N 50387062 CHEMBL2047041 Beta-secretase 1 Homo sapiens 0.150000 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684054 160866145 CHEMBL2047041 ZINC84757586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217355 CN(c1cc2cc(c1)C(=O)N[C@@H](COCCCCCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O InChI=1S/C26H36N4O6S/c1-30(37(2,34)35)22-14-20-13-21(15-22)26(33)29-23(18-36-12-8-4-7-11-28-25(20)32)24(31)17-27-16-19-9-5-3-6-10-19/h3,5-6,9-10,13-15,23-24,27,31H,4,7-8,11-12,16-18H2,1-2H3,(H,28,32)(H,29,33)/t23-,24+/m0/s1 TWVSSHHGCDLMHU-BJKOFHAPSA-N 50387052 CHEMBL2047036 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692503 160866135 CHEMBL2047036 ZINC84758296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217356 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C30H42N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-5-7-12-32-29(36)24-15-25(30(37)33-27)17-26(16-24)34(3)41(4,38)39/h6,8-11,14-17,21,27-28,31,35H,5,7,12-13,18-20H2,1-4H3,(H,32,36)(H,33,37)/b8-6+/t27-,28+/m0/s1 PDQRIFLZLJPPAY-MBLVZZAPSA-N 50387053 CHEMBL2047035 Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688326 160866136 CHEMBL2047035 ZINC84759554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217357 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C30H44N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-5-7-12-32-29(36)24-15-25(30(37)33-27)17-26(16-24)34(3)41(4,38)39/h9-11,14-17,21,27-28,31,35H,5-8,12-13,18-20H2,1-4H3,(H,32,36)(H,33,37)/t27-,28+/m0/s1 FTRSNHHHXATJNL-WUFINQPMSA-N 50387064 CHEMBL2047038 Beta-secretase 1 Homo sapiens 7.7 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684053 160866147 CHEMBL2047038 ZINC84758521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217358 CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O InChI=1S/C26H34N4O6S/c1-30(37(2,34)35)22-14-20-13-21(15-22)26(33)29-23(18-36-12-8-4-7-11-28-25(20)32)24(31)17-27-16-19-9-5-3-6-10-19/h3-6,8-10,13-15,23-24,27,31H,7,11-12,16-18H2,1-2H3,(H,28,32)(H,29,33)/b8-4+/t23-,24+/m0/s1 LQKKTFJDANLOQB-KLBHNDCMSA-N 50387055 CHEMBL2047032 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686192 160866138 CHEMBL2047032 ZINC84759551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217359 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C29H42N4O6S/c1-20(2)22-10-8-9-21(13-22)17-30-18-27(34)26-19-39-12-7-5-6-11-31-28(35)23-14-24(29(36)32-26)16-25(15-23)33(3)40(4,37)38/h8-10,13-16,20,26-27,30,34H,5-7,11-12,17-19H2,1-4H3,(H,31,35)(H,32,36)/t26-,27+/m0/s1 ODVXZEJXZBETHN-RRPNLBNLSA-N 50387065 CHEMBL2047037 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692504 160866148 CHEMBL2047037 ZINC84758397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217360 CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O InChI=1S/C26H34N4O6S/c1-30(37(2,34)35)22-14-20-13-21(15-22)26(33)29-23(18-36-12-8-4-7-11-28-25(20)32)24(31)17-27-16-19-9-5-3-6-10-19/h3-6,8-10,13-15,23-24,27,31H,7,11-12,16-18H2,1-2H3,(H,28,32)(H,29,33)/b8-4+/t23-,24+/m0/s1 LQKKTFJDANLOQB-KLBHNDCMSA-N 50387055 CHEMBL2047032 Beta-secretase 1 Homo sapiens 560 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686192 160866138 CHEMBL2047032 ZINC84759551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217361 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@@H](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c2ccccc2)c1 InChI=1S/C35H44N4O6S/c1-24(2)27-14-10-11-25(17-27)21-36-22-33(40)32-23-45-16-9-8-15-31(26-12-6-5-7-13-26)37-34(41)28-18-29(35(42)38-32)20-30(19-28)39(3)46(4,43)44/h5-14,17-20,24,31-33,36,40H,15-16,21-23H2,1-4H3,(H,37,41)(H,38,42)/b9-8+/t31-,32+,33-/m1/s1 XYJDOUBLYLOJJL-CALUMKGBSA-N 50387062 CHEMBL2047041 Beta-secretase 1 Homo sapiens 3.2 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684054 160866145 CHEMBL2047041 ZINC84757586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217362 CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1cccc(c1)C(C)(C)C)S(C)(=O)=O InChI=1S/C30H42N4O6S/c1-30(2,3)24-11-9-10-21(14-24)18-31-19-27(35)26-20-40-13-8-6-7-12-32-28(36)22-15-23(29(37)33-26)17-25(16-22)34(4)41(5,38)39/h6,8-11,14-17,26-27,31,35H,7,12-13,18-20H2,1-5H3,(H,32,36)(H,33,37)/b8-6+/t26-,27+/m0/s1 MIJJZFPWMIQONO-OTQKIKBLSA-N 50387056 CHEMBL2047034 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694546 160866139 CHEMBL2047034 ZINC84759553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217363 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C29H40N4O6S/c1-20(2)22-10-8-9-21(13-22)17-30-18-27(34)26-19-39-12-7-5-6-11-31-28(35)23-14-24(29(36)32-26)16-25(15-23)33(3)40(4,37)38/h5,7-10,13-16,20,26-27,30,34H,6,11-12,17-19H2,1-4H3,(H,31,35)(H,32,36)/b7-5+/t26-,27+/m0/s1 MEKPYLBTTKGXAX-VDGLFCQGSA-N 50387054 CHEMBL2047033 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694545 160866137 CHEMBL2047033 ZINC84759552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217364 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C29H42N4O6S/c1-20(2)22-10-8-9-21(13-22)17-30-18-27(34)26-19-39-12-7-5-6-11-31-28(35)23-14-24(29(36)32-26)16-25(15-23)33(3)40(4,37)38/h8-10,13-16,20,26-27,30,34H,5-7,11-12,17-19H2,1-4H3,(H,31,35)(H,32,36)/t26-,27+/m0/s1 ODVXZEJXZBETHN-RRPNLBNLSA-N 50387065 CHEMBL2047037 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692504 160866148 CHEMBL2047037 ZINC84758397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217365 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C30H44N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-5-7-12-32-29(36)24-15-25(30(37)33-27)17-26(16-24)34(3)41(4,38)39/h9-11,14-17,21,27-28,31,35H,5-8,12-13,18-20H2,1-4H3,(H,32,36)(H,33,37)/t27-,28+/m0/s1 FTRSNHHHXATJNL-WUFINQPMSA-N 50387064 CHEMBL2047038 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684053 160866147 CHEMBL2047038 ZINC84758521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217366 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C/CCN(C)C(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C30H42N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-7-12-33(3)30(37)25-15-24(29(36)32-27)16-26(17-25)34(4)41(5,38)39/h6,8-11,14-17,21,27-28,31,35H,7,12-13,18-20H2,1-5H3,(H,32,36)/b8-6-/t27-,28+/m0/s1 JHWZSJJIDCNNBH-NTIAGLRXSA-N 50387057 CHEMBL2047039 Beta-secretase 1 Homo sapiens 7.5 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694547 160866140 CHEMBL2047039 ZINC84758522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217367 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@H](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c2ccccc2)c1 InChI=1S/C35H44N4O6S/c1-24(2)27-14-10-11-25(17-27)21-36-22-33(40)32-23-45-16-9-8-15-31(26-12-6-5-7-13-26)37-34(41)28-18-29(35(42)38-32)20-30(19-28)39(3)46(4,43)44/h5-14,17-20,24,31-33,36,40H,15-16,21-23H2,1-4H3,(H,37,41)(H,38,42)/b9-8+/t31-,32-,33+/m0/s1 XYJDOUBLYLOJJL-YNYOQIOBSA-N 50387063 CHEMBL2047040 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0LG 4DPF 57345931 160866146 CHEMBL2047040 ZINC84758523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217368 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@H](NC(=O)c3cc(C)cc(c3)C(=O)N2)c2ccccc2)c1 InChI=1S/C34H41N3O4/c1-23(2)27-13-9-10-25(18-27)20-35-21-32(38)31-22-41-15-8-7-14-30(26-11-5-4-6-12-26)36-33(39)28-16-24(3)17-29(19-28)34(40)37-31/h4-13,16-19,23,30-32,35,38H,14-15,20-22H2,1-3H3,(H,36,39)(H,37,40)/b8-7+/t30-,31-,32+/m0/s1 BEGCWPHKTGGGNN-CKIJMETESA-N 50387059 CHEMBL2047044 Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686194 160866142 CHEMBL2047044 ZINC84757844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217369 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@@H](NC(=O)c3cc(C)cc(c3)C(=O)N2)c2ccccc2)c1 InChI=1S/C34H41N3O4/c1-23(2)27-13-9-10-25(18-27)20-35-21-32(38)31-22-41-15-8-7-14-30(26-11-5-4-6-12-26)36-33(39)28-16-24(3)17-29(19-28)34(40)37-31/h4-13,16-19,23,30-32,35,38H,14-15,20-22H2,1-3H3,(H,36,39)(H,37,40)/b8-7+/t30-,31+,32-/m1/s1 BEGCWPHKTGGGNN-HOQOQLLYSA-N 50387058 CHEMBL2047045 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0N1 4DPI 57345932 160866141 CHEMBL2047045 ZINC84653701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217370 Cc1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1 InChI=1S/C25H31N3O4/c1-18-12-20-14-21(13-18)25(31)28-22(17-32-11-7-3-6-10-27-24(20)30)23(29)16-26-15-19-8-4-2-5-9-19/h2-5,7-9,12-14,22-23,26,29H,6,10-11,15-17H2,1H3,(H,27,30)(H,28,31)/b7-3+/t22-,23+/m0/s1 PEFONUZATYCZEN-WFKPWQGXSA-N 50387061 CHEMBL2047042 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694548 160866144 CHEMBL2047042 ZINC84757840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217371 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(C)cc(c3)C(=O)N2)c1 InChI=1S/C28H37N3O4/c1-19(2)22-9-7-8-21(14-22)16-29-17-26(32)25-18-35-11-6-4-5-10-30-27(33)23-12-20(3)13-24(15-23)28(34)31-25/h4,6-9,12-15,19,25-26,29,32H,5,10-11,16-18H2,1-3H3,(H,30,33)(H,31,34)/b6-4+/t25-,26+/m0/s1 GBBLFQQTZWGDGP-RXGYCUGNSA-N 50387060 CHEMBL2047043 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686193 160866143 CHEMBL2047043 ZINC84757842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217372 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(C)cc(c3)C(=O)N2)c1 InChI=1S/C28H37N3O4/c1-19(2)22-9-7-8-21(14-22)16-29-17-26(32)25-18-35-11-6-4-5-10-30-27(33)23-12-20(3)13-24(15-23)28(34)31-25/h4,6-9,12-15,19,25-26,29,32H,5,10-11,16-18H2,1-3H3,(H,30,33)(H,31,34)/b6-4+/t25-,26+/m0/s1 GBBLFQQTZWGDGP-RXGYCUGNSA-N 50387060 CHEMBL2047043 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686193 160866143 CHEMBL2047043 ZINC84757842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217373 Cc1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1 InChI=1S/C25H31N3O4/c1-18-12-20-14-21(13-18)25(31)28-22(17-32-11-7-3-6-10-27-24(20)30)23(29)16-26-15-19-8-4-2-5-9-19/h2-5,7-9,12-14,22-23,26,29H,6,10-11,15-17H2,1H3,(H,27,30)(H,28,31)/b7-3+/t22-,23+/m0/s1 PEFONUZATYCZEN-WFKPWQGXSA-N 50387061 CHEMBL2047042 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694548 160866144 CHEMBL2047042 ZINC84757840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217374 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@@H](NC(=O)c3cc(C)cc(c3)C(=O)N2)c2ccccc2)c1 InChI=1S/C34H41N3O4/c1-23(2)27-13-9-10-25(18-27)20-35-21-32(38)31-22-41-15-8-7-14-30(26-11-5-4-6-12-26)36-33(39)28-16-24(3)17-29(19-28)34(40)37-31/h4-13,16-19,23,30-32,35,38H,14-15,20-22H2,1-3H3,(H,36,39)(H,37,40)/b8-7+/t30-,31+,32-/m1/s1 BEGCWPHKTGGGNN-HOQOQLLYSA-N 50387058 CHEMBL2047045 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0N1 4DPI 57345932 160866141 CHEMBL2047045 ZINC84653701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217375 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@H](NC(=O)c3cc(C)cc(c3)C(=O)N2)c2ccccc2)c1 InChI=1S/C34H41N3O4/c1-23(2)27-13-9-10-25(18-27)20-35-21-32(38)31-22-41-15-8-7-14-30(26-11-5-4-6-12-26)36-33(39)28-16-24(3)17-29(19-28)34(40)37-31/h4-13,16-19,23,30-32,35,38H,14-15,20-22H2,1-3H3,(H,36,39)(H,37,40)/b8-7+/t30-,31-,32+/m0/s1 BEGCWPHKTGGGNN-CKIJMETESA-N 50387059 CHEMBL2047044 Beta-secretase 1 Homo sapiens 2300 ChEMBL 10.1016/j.bmc.2012.05.039 10.7270/Q2N29Z06 22698785 Sandgren, V; Agback, T; Johansson, PO; Lindberg, J; Kvarnstrom, I; Samuelsson, B; Belda, O; Dahlgren, A Link£ping University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686194 160866142 CHEMBL2047044 ZINC84757844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217376 Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 InChI=1S/C24H29N5/c1-19-7-9-20(10-8-19)17-26-23-11-14-25-24(28-23)27-22-12-15-29(16-13-22)18-21-5-3-2-4-6-21/h2-11,14,22H,12-13,15-18H2,1H3,(H2,25,26,27,28) WPGWJDQGLFQPSF-UHFFFAOYSA-N 50387091 CHEMBL2047228 Beta-secretase 1 Homo sapiens 11100 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684068 160866174 CHEMBL2047228 ZINC84758030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217377 COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 InChI=1S/C24H29N5O/c1-30-22-9-7-19(8-10-22)17-26-23-11-14-25-24(28-23)27-21-12-15-29(16-13-21)18-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-18H2,1H3,(H2,25,26,27,28) JCSHNHCWHQCGHC-UHFFFAOYSA-N 50387090 CHEMBL2047229 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696614 160866173 CHEMBL2047229 ZINC84654854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217378 Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1 InChI=1S/C23H26ClN5/c24-20-8-4-7-19(15-20)16-26-22-9-12-25-23(28-22)27-21-10-13-29(14-11-21)17-18-5-2-1-3-6-18/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,25,26,27,28) KEOHOXIMLALKHI-UHFFFAOYSA-N 50387094 CHEMBL2047224 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686213 160866177 CHEMBL2047224 ZINC84652486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217379 Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 InChI=1S/C23H26ClN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28) OODPIPSSGLSZPL-UHFFFAOYSA-N 50387093 CHEMBL2047225 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694566 160866176 CHEMBL2047225 ZINC84652487 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217380 Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 InChI=1S/C23H26FN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28) FFPGDISVVGINKZ-UHFFFAOYSA-N 50387092 CHEMBL2047227 Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56935716 160866175 CHEMBL2047227 ZINC84758028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217381 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 8960 (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one::2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one::Aricept::Aricept odt::CHEMBL1678::CHEMBL2337271::CHEMBL502::DONEPEZIL HYDROCHLORIDE::Donepezil::Donepzil::E2020::US8999994, Donepezil::US9346818, DPH::US9586925, Donepezil::US9663465, Donepezil Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E20 1EVE,4EY7,7E3H,6O4W 3152 46509735 53289 CHEMBL502CHEMBL1678CHEMBL2337271 DB00843 6599 ZINC00897251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217382 COc1cc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc(OC)c1OC InChI=1S/C26H33N5O3/c1-32-22-15-20(16-23(33-2)25(22)34-3)17-28-24-9-12-27-26(30-24)29-21-10-13-31(14-11-21)18-19-7-5-4-6-8-19/h4-9,12,15-16,21H,10-11,13-14,17-18H2,1-3H3,(H2,27,28,29,30) HRNBEQMXRSPNKX-UHFFFAOYSA-N 50387089 CHEMBL2047231 Beta-secretase 1 Homo sapiens 8900 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681952 160866172 CHEMBL2047231 ZINC84758034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217383 C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccc2OCOc2c1 InChI=1S/C24H27N5O2/c1-2-4-18(5-3-1)16-29-12-9-20(10-13-29)27-24-25-11-8-23(28-24)26-15-19-6-7-21-22(14-19)31-17-30-21/h1-8,11,14,20H,9-10,12-13,15-17H2,(H2,25,26,27,28) PCQQLSGOOJZBEN-UHFFFAOYSA-N 50387088 CHEMBL2047375 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694577 160866171 CHEMBL2047375 ZINC84759509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217384 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O InChI=1S/C25H39N3O5/c1-16(2)12-20(14-29)26-23(30)21(13-17(3)4)27-24(31)22(18(5)6)28-25(32)33-15-19-10-8-7-9-11-19/h7-11,14,16-18,20-22H,12-13,15H2,1-6H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1 YHUAFMGVVANYBT-FKBYEOEOSA-N 50387087 CHEMBL2047376 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10253763 160866170 CHEMBL2047376 ZINC38430021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217385 Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,11-12,14-17H2,(H2,25,26,27,28) PWXHGWMZTWHEKM-UHFFFAOYSA-N 50387095 CHEMBL2047223 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2012.05.077 10.7270/Q27S7PSZ 22704921 Mohamed, T; Yeung, JC; Vasefi, MS; Beazely, MA; Rao, PP University of Waterloo http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690351 160866178 CHEMBL2047223 ZINC84652485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217386 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H29FN8O7/c35-25-11-9-21(10-12-25)29-18-50-19-42(29)34(47)24-14-23(16-27(17-24)43(48)49)32(45)37-28(13-20-5-2-1-3-6-20)30(44)33(46)36-26-8-4-7-22(15-26)31-38-40-41-39-31/h1-12,14-17,28-30,44H,13,18-19H2,(H,36,46)(H,37,45)(H,38,39,40,41)/t28-,29+,30-/m0/s1 PCFXCGMVIIYOAK-JBOQNHBVSA-N 50387256 CHEMBL2048214 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690401 160866339 CHEMBL2048214 ZINC84759373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217387 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(O)=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C35H31N7O7/c43-30(33(45)36-27-13-7-12-23(18-27)31-38-40-41-39-31)28(14-21-8-3-1-4-9-21)37-32(44)24-15-25(17-26(16-24)35(47)48)34(46)42-20-49-19-29(42)22-10-5-2-6-11-22/h1-13,15-18,28-30,43H,14,19-20H2,(H,36,45)(H,37,44)(H,47,48)(H,38,39,40,41)/t28-,29+,30-/m0/s1 RFUQWTUPGXAUIY-JBOQNHBVSA-N 50387252 CHEMBL2048206 Beta-secretase 1 Homo sapiens 122 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692572 160866335 CHEMBL2048206 ZINC84669773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217388 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H31N7O5/c42-30(33(44)35-27-16-8-13-24(19-27)31-37-39-40-38-31)28(17-22-9-3-1-4-10-22)36-32(43)25-14-7-15-26(18-25)34(45)41-21-46-20-29(41)23-11-5-2-6-12-23/h1-16,18-19,28-30,42H,17,20-21H2,(H,35,44)(H,36,43)(H,37,38,39,40)/t28-,29+,30-/m0/s1 OIXHVUKCOBIRBZ-JBOQNHBVSA-N 50387251 CHEMBL2048207 Beta-secretase 1 Homo sapiens 192 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690399 160866334 CHEMBL2048207 ZINC84655522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217389 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H30BrN7O5/c35-26-16-24(15-25(17-26)34(46)42-20-47-19-29(42)22-10-5-2-6-11-22)32(44)37-28(14-21-8-3-1-4-9-21)30(43)33(45)36-27-13-7-12-23(18-27)31-38-40-41-39-31/h1-13,15-18,28-30,43H,14,19-20H2,(H,36,45)(H,37,44)(H,38,39,40,41)/t28-,29+,30-/m0/s1 SHUVKUURHFEQAT-JBOQNHBVSA-N 50387253 CHEMBL2048209 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684121 160866336 CHEMBL2048209 ZINC84668643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217390 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H30IN7O5/c35-26-16-24(15-25(17-26)34(46)42-20-47-19-29(42)22-10-5-2-6-11-22)32(44)37-28(14-21-8-3-1-4-9-21)30(43)33(45)36-27-13-7-12-23(18-27)31-38-40-41-39-31/h1-13,15-18,28-30,43H,14,19-20H2,(H,36,45)(H,37,44)(H,38,39,40,41)/t28-,29+,30-/m0/s1 BFRBPDBTKNNZKS-JBOQNHBVSA-N 50387254 CHEMBL2048210 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70682005 160866337 CHEMBL2048210 ZINC95551555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217391 Cc1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C35H33N7O5/c1-22-15-26(18-27(16-22)35(46)42-21-47-20-30(42)24-11-6-3-7-12-24)33(44)37-29(17-23-9-4-2-5-10-23)31(43)34(45)36-28-14-8-13-25(19-28)32-38-40-41-39-32/h2-16,18-19,29-31,43H,17,20-21H2,1H3,(H,36,45)(H,37,44)(H,38,39,40,41)/t29-,30+,31-/m0/s1 DNSNTGYFSRRAOW-YPKYBTACSA-N 50387255 CHEMBL2048211 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690400 160866338 CHEMBL2048211 ZINC84670367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217392 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 InChI=1S/C34H30N8O7/c43-30(33(45)35-26-13-7-12-23(16-26)31-37-39-40-38-31)28(14-21-8-3-1-4-9-21)36-32(44)24-15-25(18-27(17-24)42(47)48)34(46)41-20-49-19-29(41)22-10-5-2-6-11-22/h1-13,15-18,28-30,43H,14,19-20H2,(H,35,45)(H,36,44)(H,37,38,39,40)/t28-,29+,30-/m0/s1 MINWXPSDOBTPCF-JBOQNHBVSA-N 50387250 CHEMBL2048213 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2012.05.089 10.7270/Q2GB253K 22726930 Hamada, Y; Nakanishi, T; Suzuki, K; Yamaguchi, R; Hamada, T; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696663 160866333 CHEMBL2048213 ZINC84653841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218542 CCn1cc(cc(C(F)F)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H23F3N4O/c1-3-7-18-12-20(16-35-15-18)19-8-5-9-21(13-19)30(24-10-6-11-25(31)26(24)28(34)36-30)22-14-23(27(32)33)29(38)37(4-2)17-22/h5-6,8-17,27H,4H2,1-2H3,(H2,34,36)/t30-/m0/s1 GZUAKTAFZQGCMX-PMERELPUSA-N 50393090 CHEMBL2152905 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454828 163342114 CHEMBL2152905 ZINC95577697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218554 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cc(ccn1)C#CC InChI=1S/C30H25FN4O/c1-4-8-20-13-14-33-26(16-20)21-9-6-10-22(17-21)30(23-15-19(3)29(36)35(5-2)18-23)24-11-7-12-25(31)27(24)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1 GTAHYWCJADHESY-PMERELPUSA-N 50393091 CHEMBL2152906 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57407296 163342115 CHEMBL2152906 ZINC95573636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218555 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1 TUGLMYZSOPKJOA-PMERELPUSA-N 50393088 CHEMBL2152903 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search I6X 4B00 57406537 163342112 CHEMBL2152903 ZINC95574104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218613 CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#N InChI=1S/C28H22FN5O/c1-3-34-16-22(10-17(2)27(34)35)28(23-8-5-9-24(29)25(23)26(31)33-28)21-7-4-6-19(12-21)20-11-18(13-30)14-32-15-20/h4-12,14-16H,3H2,1-2H3,(H2,31,33)/t28-/m0/s1 VAUWUKVZPXCDOH-NDEPHWFRSA-N 50393089 CHEMBL2152904 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/ml300317n 10.7270/Q27S7PVV 24900394 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449475 163342113 CHEMBL2152904 ZINC95574043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220795 CC1=NC(N=C1N)(C1CCCCC1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H24N4/c1-15-20(22)25-21(24-15,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-23-14-17/h5-8,11-14,18H,2-4,9-10H2,1H3,(H2,22,25) LQZWYEXWILDROH-UHFFFAOYSA-N 50398772 CHEMBL2180034 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869040 163347796 CHEMBL2180034 ZINC95575148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220796 COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C27H26N4O/c1-6-8-20-13-22(16-29-15-20)21-9-7-10-23(14-21)27(30-19(4)26(28)31-27)24-11-17(2)25(32-5)18(3)12-24/h7,9-16H,1-5H3,(H2,28,31) KQOKXSWNRISXBF-UHFFFAOYSA-N 50398774 CHEMBL2180031 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459168 163347798 CHEMBL2180031 ZINC95575293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220797 CC1=NC(N=C1N)(C1CC1)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C18H17ClN4/c1-11-17(20)23-18(22-11,14-5-6-14)15-4-2-3-12(7-15)13-8-16(19)10-21-9-13/h2-4,7-10,14H,5-6H2,1H3,(H2,20,23) BASHYZBACCLMHK-UHFFFAOYSA-N 50398766 CHEMBL2180033 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869312 163347790 CHEMBL2180033 ZINC95576953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220798 COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1 PZSMDBYYYKPYFV-QHCPKHFHSA-N 50398768 CHEMBL2180030 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6TG 4B1D 49836033 163347792 CHEMBL2180030 ZINC68248221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220799 CC1=N[C@](Cc2ccccc2)(N=C1N)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N5/c1-15-20(22)26-21(25-15,11-16-6-3-2-4-7-16)19-9-5-8-17(10-19)18-12-23-14-24-13-18/h2-10,12-14H,11H2,1H3,(H2,22,26)/t21-/m1/s1 JZSBGJKGAXFRFW-OAQYLSRUSA-N 50398773 CHEMBL2180032 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869174 163347797 CHEMBL2180032 ZINC95578536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220800 COc1c(C)cc(cc1C)[C@@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m1/s1 PZSMDBYYYKPYFV-HSZRJFAPSA-N 50398775 CHEMBL2180029 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855683 163347799 CHEMBL2180029 ZINC68248212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220801 COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC InChI=1S/C27H26N4O/c1-6-8-20-13-22(16-29-15-20)21-9-7-10-23(14-21)27(30-19(4)26(28)31-27)24-11-17(2)25(32-5)18(3)12-24/h7,9-16H,1-5H3,(H2,28,31) KQOKXSWNRISXBF-UHFFFAOYSA-N 50398774 CHEMBL2180031 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459168 163347798 CHEMBL2180031 ZINC95575293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220802 COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1 PZSMDBYYYKPYFV-QHCPKHFHSA-N 50398768 CHEMBL2180030 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6TG 4B1D 49836033 163347792 CHEMBL2180030 ZINC68248221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220803 COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCOCC1 InChI=1S/C22H25N3O2/c1-15-21(23)25-22(24-15,18-9-11-27-12-10-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)26-2/h3-8,13-14,18H,9-12H2,1-2H3,(H2,23,25) INFFTYDAVRHZHS-UHFFFAOYSA-N 50398771 CHEMBL2180035 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869041 163347795 CHEMBL2180035 ZINC95572231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220804 COc1c(C)cc(cc1C)[C@@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m1/s1 PZSMDBYYYKPYFV-HSZRJFAPSA-N 50398775 CHEMBL2180029 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855683 163347799 CHEMBL2180029 ZINC68248212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220805 CC1=NC(N=C1N)(C1CCCCC1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H24N4/c1-15-20(22)25-21(24-15,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-23-14-17/h5-8,11-14,18H,2-4,9-10H2,1H3,(H2,22,25) LQZWYEXWILDROH-UHFFFAOYSA-N 50398772 CHEMBL2180034 Beta-secretase 1 Homo sapiens 660 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869040 163347796 CHEMBL2180034 ZINC95575148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220806 CC1=NC(N=C1N)(C1CC1)c1cccc(c1)-c1cncc(Cl)c1 InChI=1S/C18H17ClN4/c1-11-17(20)23-18(22-11,14-5-6-14)15-4-2-3-12(7-15)13-8-16(19)10-21-9-13/h2-4,7-10,14H,5-6H2,1H3,(H2,20,23) BASHYZBACCLMHK-UHFFFAOYSA-N 50398766 CHEMBL2180033 Beta-secretase 1 Homo sapiens 690 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869312 163347790 CHEMBL2180033 ZINC95576953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220807 CC1=N[C@](Cc2ccccc2)(N=C1N)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N5/c1-15-20(22)26-21(25-15,11-16-6-3-2-4-7-16)19-9-5-8-17(10-19)18-12-23-14-24-13-18/h2-10,12-14H,11H2,1H3,(H2,22,26)/t21-/m1/s1 JZSBGJKGAXFRFW-OAQYLSRUSA-N 50398773 CHEMBL2180032 Beta-secretase 1 Homo sapiens 710 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869174 163347797 CHEMBL2180032 ZINC95578536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220808 CC(C)C1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 InChI=1S/C18H20N4/c1-12(2)16-17(19)22-18(3,21-16)15-8-4-6-13(10-15)14-7-5-9-20-11-14/h4-12H,1-3H3,(H2,19,22) ZDXVBHMGBXHWOR-UHFFFAOYSA-N 50398784 CHEMBL2180017 Beta-secretase 1 Homo sapiens 32000 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459165 163347808 CHEMBL2180017 ZINC95578810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220809 CC#Cc1ccnc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 InChI=1S/C21H20N4O/c1-3-4-14-9-10-23-18(11-14)17-12-16(7-8-19(17)26)21(15-5-6-15)24-13(2)20(22)25-21/h7-12,15,26H,5-6H2,1-2H3,(H2,22,25) FXVJITQJGQEANW-UHFFFAOYSA-N 50398786 CHEMBL2180015 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869879 163347810 CHEMBL2180015 ZINC95578721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220810 CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CC1 InChI=1S/C21H20N4/c1-3-5-15-10-17(13-23-12-15)16-6-4-7-19(11-16)21(18-8-9-18)24-14(2)20(22)25-21/h4,6-7,10-13,18H,8-9H2,1-2H3,(H2,22,25) TWHSRVVFCICXII-UHFFFAOYSA-N 50398767 CHEMBL2180037 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1B1 4B1C 49869313 163347791 CHEMBL2180037 ZINC95580345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220811 COc1cccc(c1)-c1cccc(c1)C1(C)N=C(C)C(N)=N1 InChI=1S/C18H19N3O/c1-12-17(19)21-18(2,20-12)15-8-4-6-13(10-15)14-7-5-9-16(11-14)22-3/h4-11H,1-3H3,(H2,19,21) BEYGOLPVUQKUTI-UHFFFAOYSA-N 50398783 CHEMBL2180018 Beta-secretase 1 Homo sapiens 3500 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869035 163347807 CHEMBL2180018 ZINC95572318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220812 CC#Cc1cncc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 InChI=1S/C21H20N4O/c1-3-4-14-9-15(12-23-11-14)18-10-17(7-8-19(18)26)21(16-5-6-16)24-13(2)20(22)25-21/h7-12,16,26H,5-6H2,1-2H3,(H2,22,25) AHRMUGFBTQOUNO-UHFFFAOYSA-N 50398769 CHEMBL2180014 Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869877 163347793 CHEMBL2180014 ZINC95579096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220813 COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCN(CC1)C(C)=O InChI=1S/C24H28N4O2/c1-16-23(25)27-24(26-16,20-10-12-28(13-11-20)17(2)29)21-8-4-6-18(14-21)19-7-5-9-22(15-19)30-3/h4-9,14-15,20H,10-13H2,1-3H3,(H2,25,27) YPIBLSYFISDICP-UHFFFAOYSA-N 50398770 CHEMBL2180036 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869172 163347794 CHEMBL2180036 ZINC95579779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220814 CC(C)C1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 InChI=1S/C18H20N4/c1-12(2)16-17(19)22-18(3,21-16)15-8-4-6-13(10-15)14-7-5-9-20-11-14/h4-12H,1-3H3,(H2,19,22) ZDXVBHMGBXHWOR-UHFFFAOYSA-N 50398784 CHEMBL2180017 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459165 163347808 CHEMBL2180017 ZINC95578810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220815 CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CC1 InChI=1S/C21H20N4/c1-3-5-15-10-17(13-23-12-15)16-6-4-7-19(11-16)21(18-8-9-18)24-14(2)20(22)25-21/h4,6-7,10-13,18H,8-9H2,1-2H3,(H2,22,25) TWHSRVVFCICXII-UHFFFAOYSA-N 50398767 CHEMBL2180037 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1B1 4B1C 49869313 163347791 CHEMBL2180037 ZINC95580345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220816 CC#Cc1ccnc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 InChI=1S/C21H20N4O/c1-3-4-14-9-10-23-18(11-14)17-12-16(7-8-19(17)26)21(15-5-6-15)24-13(2)20(22)25-21/h7-12,15,26H,5-6H2,1-2H3,(H2,22,25) FXVJITQJGQEANW-UHFFFAOYSA-N 50398786 CHEMBL2180015 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869879 163347810 CHEMBL2180015 ZINC95578721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220817 COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCN(CC1)C(C)=O InChI=1S/C24H28N4O2/c1-16-23(25)27-24(26-16,20-10-12-28(13-11-20)17(2)29)21-8-4-6-18(14-21)19-7-5-9-22(15-19)30-3/h4-9,14-15,20H,10-13H2,1-3H3,(H2,25,27) YPIBLSYFISDICP-UHFFFAOYSA-N 50398770 CHEMBL2180036 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869172 163347794 CHEMBL2180036 ZINC95579779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220818 CC#Cc1cncc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 InChI=1S/C21H20N4O/c1-3-4-14-9-15(12-23-11-14)18-10-17(7-8-19(18)26)21(16-5-6-16)24-13(2)20(22)25-21/h7-12,16,26H,5-6H2,1-2H3,(H2,22,25) AHRMUGFBTQOUNO-UHFFFAOYSA-N 50398769 CHEMBL2180014 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869877 163347793 CHEMBL2180014 ZINC95579096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220819 COc1cccc(c1)-c1cccc(c1)C1(C)N=C(C)C(N)=N1 InChI=1S/C18H19N3O/c1-12-17(19)21-18(2,20-12)15-8-4-6-13(10-15)14-7-5-9-16(11-14)22-3/h4-11H,1-3H3,(H2,19,21) BEYGOLPVUQKUTI-UHFFFAOYSA-N 50398783 CHEMBL2180018 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869035 163347807 CHEMBL2180018 ZINC95572318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220820 COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCOCC1 InChI=1S/C22H25N3O2/c1-15-21(23)25-22(24-15,18-9-11-27-12-10-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)26-2/h3-8,13-14,18H,9-12H2,1-2H3,(H2,23,25) INFFTYDAVRHZHS-UHFFFAOYSA-N 50398771 CHEMBL2180035 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869041 163347795 CHEMBL2180035 ZINC95572231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220821 COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)c1ccncc1 InChI=1S/C22H20N4O/c1-15-21(23)26-22(25-15,18-9-11-24-12-10-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)27-2/h3-14H,1-2H3,(H2,23,26) JGYNJPZQUBJSBG-UHFFFAOYSA-N 50398787 CHEMBL2180023 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49858375 163347811 CHEMBL2180023 ZINC95579180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220822 CC1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 InChI=1S/C16H16N4/c1-11-15(17)20-16(2,19-11)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h3-10H,1-2H3,(H2,17,20) GGFQOAKBKNUHNP-UHFFFAOYSA-N 50398782 CHEMBL2180019 Beta-secretase 1 Homo sapiens 4300 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869037 163347806 CHEMBL2180019 ZINC95575020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220823 CC1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4/c1-15-20(22)25-21(24-15,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-23-14-17/h2-14H,1H3,(H2,22,25) TVFLMALGICYVSV-UHFFFAOYSA-N 50398788 CHEMBL2180022 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49858374 163347812 CHEMBL2180022 ZINC95575069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220824 COc1ccc(cc1)C1(N=C(N)C(=N1)C(C)C)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-15(2)21-22(24)28-23(27-21,18-7-9-20(29-3)10-8-18)19-6-4-5-16(11-19)17-12-25-14-26-13-17/h4-15H,1-3H3,(H2,24,28) SFBOKXSMKXLXQE-UHFFFAOYSA-N 50398780 CHEMBL2180021 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459167 163347804 CHEMBL2180021 ZINC95575145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220825 CC(C)C1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cncnc1 InChI=1S/C22H21N5/c1-15(2)20-21(23)27-22(26-20,18-8-4-3-5-9-18)19-10-6-7-16(11-19)17-12-24-14-25-13-17/h3-15H,1-2H3,(H2,23,27) JBCUFKPVMAMCAR-UHFFFAOYSA-N 50398781 CHEMBL2180020 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459166 163347805 CHEMBL2180020 ZINC95579674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220826 CC1=NC(N=C1N)(c1ccc(F)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H17FN4/c1-14-20(23)26-21(25-14,17-7-9-19(22)10-8-17)18-6-2-4-15(12-18)16-5-3-11-24-13-16/h2-13H,1H3,(H2,23,26) PXUUVOWXCHBBOB-UHFFFAOYSA-N 50398779 CHEMBL2180024 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49858377 163347803 CHEMBL2180024 ZINC95577467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220827 CC1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 InChI=1S/C16H16N4/c1-11-15(17)20-16(2,19-11)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h3-10H,1-2H3,(H2,17,20) GGFQOAKBKNUHNP-UHFFFAOYSA-N 50398782 CHEMBL2180019 Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49869037 163347806 CHEMBL2180019 ZINC95575020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220828 COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)c1ccncc1 InChI=1S/C22H20N4O/c1-15-21(23)26-22(25-15,18-9-11-24-12-10-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)27-2/h3-14H,1-2H3,(H2,23,26) JGYNJPZQUBJSBG-UHFFFAOYSA-N 50398787 CHEMBL2180023 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49858375 163347811 CHEMBL2180023 ZINC95579180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220829 CC1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H18N4/c1-15-20(22)25-21(24-15,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-23-14-17/h2-14H,1H3,(H2,22,25) TVFLMALGICYVSV-UHFFFAOYSA-N 50398788 CHEMBL2180022 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49858374 163347812 CHEMBL2180022 ZINC95575069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220830 COc1ccc(cc1)C1(N=C(N)C(=N1)C(C)C)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-15(2)21-22(24)28-23(27-21,18-7-9-20(29-3)10-8-18)19-6-4-5-16(11-19)17-12-25-14-26-13-17/h4-15H,1-3H3,(H2,24,28) SFBOKXSMKXLXQE-UHFFFAOYSA-N 50398780 CHEMBL2180021 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459167 163347804 CHEMBL2180021 ZINC95575145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220831 COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1 PZSMDBYYYKPYFV-QHCPKHFHSA-N 50398768 CHEMBL2180030 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6TG 4B1D 49836033 163347792 CHEMBL2180030 ZINC68248221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220832 COc1ccc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C22H21N5O/c1-14-9-19(7-8-20(14)28-3)22(26-15(2)21(23)27-22)18-6-4-5-16(10-18)17-11-24-13-25-12-17/h4-13H,1-3H3,(H2,23,27) GWWAWENWSRQRAM-UHFFFAOYSA-N 50398776 CHEMBL2180027 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855886 163347800 CHEMBL2180027 ZINC95577665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220833 COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C22H20N4O/c1-15-21(23)26-22(25-15,18-8-10-20(27-2)11-9-18)19-7-3-5-16(13-19)17-6-4-12-24-14-17/h3-14H,1-2H3,(H2,23,26) PHOHQSLNKFJNQU-UHFFFAOYSA-N 50398777 CHEMBL2180026 Beta-secretase 1 Homo sapiens 810 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855495 163347801 CHEMBL2180026 ZINC95574023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220835 COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N5O/c1-14-20(22)26-21(25-14,17-6-8-19(27-2)9-7-17)18-5-3-4-15(10-18)16-11-23-13-24-12-16/h3-13H,1-2H3,(H2,22,26) UMLMJLPXSRDUHS-UHFFFAOYSA-N 50398778 CHEMBL2180025 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855492 163347802 CHEMBL2180025 ZINC95577623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220836 COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1 PZSMDBYYYKPYFV-QHCPKHFHSA-N 50398768 CHEMBL2180030 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6TG 4B1D 49836033 163347792 CHEMBL2180030 ZINC68248221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220837 COc1ccc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C22H21N5O/c1-14-9-19(7-8-20(14)28-3)22(26-15(2)21(23)27-22)18-6-4-5-16(10-18)17-11-24-13-25-12-17/h4-13H,1-3H3,(H2,23,27) GWWAWENWSRQRAM-UHFFFAOYSA-N 50398776 CHEMBL2180027 Beta-secretase 1 Homo sapiens 97 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855886 163347800 CHEMBL2180027 ZINC95577665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220838 COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C22H20N4O/c1-15-21(23)26-22(25-15,18-8-10-20(27-2)11-9-18)19-7-3-5-16(13-19)17-6-4-12-24-14-17/h3-14H,1-2H3,(H2,23,26) PHOHQSLNKFJNQU-UHFFFAOYSA-N 50398777 CHEMBL2180026 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855495 163347801 CHEMBL2180026 ZINC95574023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220839 COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H19N5O/c1-14-20(22)26-21(25-14,17-6-8-19(27-2)9-7-17)18-5-3-4-15(10-18)16-11-23-13-24-12-16/h3-13H,1-2H3,(H2,22,26) UMLMJLPXSRDUHS-UHFFFAOYSA-N 50398778 CHEMBL2180025 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49855492 163347802 CHEMBL2180025 ZINC95577623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220840 CC1=NC(N=C1N)(c1ccc(F)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H17FN4/c1-14-20(23)26-21(25-14,17-7-9-19(22)10-8-17)18-6-2-4-15(12-18)16-5-3-11-24-13-16/h2-13H,1H3,(H2,23,26) PXUUVOWXCHBBOB-UHFFFAOYSA-N 50398779 CHEMBL2180024 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1021/jm300991n 10.7270/Q2HH6M79 23017051 Gravenfors, Y; Viklund, J; Blid, J; Ginman, T; Karlstrom, S; Kihlstrom, J; Kolmodin, K; Lindstrom, J; von Berg, S; von Kieseritzky, F; Bogar, K; Slivo, C; Swahn, BM; Olsson, LL; Johansson, P; Eketjall, S; Falting, J; Jeppsson, F; Stromberg, K; Janson, J; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49858377 163347803 CHEMBL2180024 ZINC95577467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220841 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 InChI=1S/C20H19Cl2N5O2S/c1-10-16(18(27-30-10)12-3-5-13(29-2)6-4-12)19(28)26-20(24)25-9-11-7-14(21)17(23)15(22)8-11/h3-8H,9,23H2,1-2H3,(H3,24,25,26,28) DPJQBOWFYJTIJB-UHFFFAOYSA-N 50398884 CHEMBL2178178 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962911 163347908 CHEMBL2178178 ZINC43151687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220842 COc1ccc(cc1)-c1c(C(=O)NC(N)=NCc2cc(Cl)cc(Cl)c2)c(C)nn1C InChI=1S/C21H21Cl2N5O2/c1-12-18(19(28(2)27-12)14-4-6-17(30-3)7-5-14)20(29)26-21(24)25-11-13-8-15(22)10-16(23)9-13/h4-10H,11H2,1-3H3,(H3,24,25,26,29) KCBZDZJRCWQDNY-UHFFFAOYSA-N 50398901 CHEMBL2178203 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941443 163347925 CHEMBL2178203 ZINC34775857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220843 COc1ccc(cc1)-c1n[nH]c(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H19Cl2N5O2/c1-11-17(18(27-26-11)13-3-5-16(29-2)6-4-13)19(28)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H,26,27)(H3,23,24,25,28) KHDLJFQXWPEEGG-UHFFFAOYSA-N 50398902 CHEMBL2178202 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941444 163347926 CHEMBL2178202 ZINC34775859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220844 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H21Cl2N5O3S/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31) LMPLDVJAORQVGC-UHFFFAOYSA-N 50398882 CHEMBL2178180 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962961 163347906 CHEMBL2178180 ZINC43151692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220845 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CNCc2ccccc2)c(Cl)c1 InChI=1S/C30H31ClN6O3S/c1-18-13-21(14-24(31)27(18)35-25(38)17-33-15-20-7-5-4-6-8-20)16-34-30(32)36-29(39)26-19(2)41-37-28(26)22-9-11-23(40-3)12-10-22/h4-14,33H,15-17H2,1-3H3,(H,35,38)(H3,32,34,36,39) GGMRHOZXCIWUMQ-UHFFFAOYSA-N 50398867 CHEMBL2178161 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457168 163347891 CHEMBL2178161 ZINC95574599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220846 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12 InChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29) MJZGXDBYLRQKRG-UHFFFAOYSA-N 50398900 CHEMBL2178205 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962956 163347924 CHEMBL2178205 ZINC95576900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220847 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H21Cl2N5O4/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31) RVCUSTQTVJCVFB-UHFFFAOYSA-N 50398883 CHEMBL2178179 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455396 163347907 CHEMBL2178179 ZINC95573351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224099 OCC(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-25-34(39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m0/s1 LKLJXPROGULUMH-HTIIIDOHSA-N 50424344 CHEMBL2314779 Beta-secretase 1 Homo sapiens 4100 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518363 164153219 CHEMBL2314779 ZINC95595647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224100 OCC(NCc1ccccc1)c1ccc2c(NC(=O)[C@H](N=C2c2ccccc2)c2ccccc2)c1 InChI=1S/C30H27N3O2/c34-20-27(31-19-21-10-4-1-5-11-21)24-16-17-25-26(18-24)32-30(35)29(23-14-8-3-9-15-23)33-28(25)22-12-6-2-7-13-22/h1-18,27,29,31,34H,19-20H2,(H,32,35)/t27?,29-/m1/s1 GKOVDJKWFAKAGL-ZBAATNBSSA-N 50424350 CHEMBL2314788 Beta-secretase 1 Homo sapiens 10900 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518195 164153225 CHEMBL2314788 ZINC95594990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224101 OC(CN1CCNCC1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O InChI=1S/C21H24N4O2/c26-18(14-25-12-10-22-11-13-25)20-21(27)23-17-9-5-4-8-16(17)19(24-20)15-6-2-1-3-7-15/h1-9,18,20,22,26H,10-14H2,(H,23,27)/t18?,20-/m0/s1 AGAZWLXVPPBYCS-IJHRGXPZSA-N 50424349 CHEMBL2314789 Beta-secretase 1 Homo sapiens 12500 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518196 164153224 CHEMBL2314789 ZINC95595076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224102 OCC(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-25-34(39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m0/s1 LKLJXPROGULUMH-HTIIIDOHSA-N 50424344 CHEMBL2314779 Beta-secretase 1 Homo sapiens >2600 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518363 164153219 CHEMBL2314779 ZINC95595647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224103 OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-34(25-39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m1/s1 DZUXVCBPFLNAAX-ICBMVRCQSA-N 50424345 CHEMBL2314793 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518685 164153220 CHEMBL2314793 ZINC95593401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224104 CC(C)(C)OC(=O)N1CCN(CC1)c1cccc2c1NC(=O)[C@@H](N=C2c1ccccc1)c1ccccc1 InChI=1S/C30H32N4O3/c1-30(2,3)37-29(36)34-19-17-33(18-20-34)24-16-10-15-23-25(21-11-6-4-7-12-21)31-26(28(35)32-27(23)24)22-13-8-5-9-14-22/h4-16,26H,17-20H2,1-3H3,(H,32,35)/t26-/m0/s1 RXGIDSXLAAQMJH-SANMLTNESA-N 50424351 CHEMBL2314782 Beta-secretase 1 Homo sapiens 35000 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518025 164153226 CHEMBL2314782 ZINC95595359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224105 OCC(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-25-34(39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m0/s1 LKLJXPROGULUMH-HTIIIDOHSA-N 50424344 CHEMBL2314779 Beta-secretase 1 Homo sapiens >1200 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518363 164153219 CHEMBL2314779 ZINC95595647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224106 OCC(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-25-34(39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m1/s1 LKLJXPROGULUMH-ICBMVRCQSA-N 50424347 CHEMBL2314780 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518848 164153222 CHEMBL2314780 ZINC95593276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224107 CC(C)(C)OC(=O)N1CCN(CC(O)c2ccc(C(=O)c3ccccc3)c(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)c2)CC1 InChI=1S/C40H44N4O7/c1-40(2,3)51-39(49)44-23-21-43(22-24-44)26-34(45)31-19-20-32(36(46)30-17-11-6-12-18-30)33(25-31)41-37(47)35(29-15-9-5-10-16-29)42-38(48)50-27-28-13-7-4-8-14-28/h4-20,25,34-35,45H,21-24,26-27H2,1-3H3,(H,41,47)(H,42,48)/t34?,35-/m1/s1 PXIQRPAVYPSEHW-ICBMVRCQSA-N 50424348 CHEMBL2314791 Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518361 164153223 CHEMBL2314791 ZINC95596217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224108 OCC(NCc1ccccc1)c1ccc2c(NC(=O)[C@@H](N=C2c2ccccc2)c2ccccc2)c1 InChI=1S/C30H27N3O2/c34-20-27(31-19-21-10-4-1-5-11-21)24-16-17-25-26(18-24)32-30(35)29(23-14-8-3-9-15-23)33-28(25)22-12-6-2-7-13-22/h1-18,27,29,31,34H,19-20H2,(H,32,35)/t27?,29-/m0/s1 GKOVDJKWFAKAGL-ACEFPKFPSA-N 50424343 CHEMBL2314778 Beta-secretase 1 Homo sapiens >11000 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71719178 164153218 CHEMBL2314778 ZINC95597924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224109 OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-34(25-39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m0/s1 DZUXVCBPFLNAAX-HTIIIDOHSA-N 50424346 CHEMBL2314792 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518362 164153221 CHEMBL2314792 ZINC95596526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224110 CC(C)(C)OC(=O)N1CCN(CC1)c1cccc2c1NC(=O)[C@H](N=C2c1ccccc1)c1ccccc1 InChI=1S/C30H32N4O3/c1-30(2,3)37-29(36)34-19-17-33(18-20-34)24-16-10-15-23-25(21-11-6-4-7-12-21)31-26(28(35)32-27(23)24)22-13-8-5-9-14-22/h4-16,26H,17-20H2,1-3H3,(H,32,35)/t26-/m1/s1 RXGIDSXLAAQMJH-AREMUKBSSA-N 50424352 CHEMBL2314781 Beta-secretase 1 Homo sapiens 43000 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518684 164153227 CHEMBL2314781 ZINC95597298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224111 OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-34(25-39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m0/s1 DZUXVCBPFLNAAX-HTIIIDOHSA-N 50424346 CHEMBL2314792 Beta-secretase 1 Homo sapiens >2600 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518362 164153221 CHEMBL2314792 ZINC95596526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224112 OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-34(25-39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m1/s1 DZUXVCBPFLNAAX-ICBMVRCQSA-N 50424345 CHEMBL2314793 Beta-secretase 1 Homo sapiens >1200 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518685 164153220 CHEMBL2314793 ZINC95593401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224113 OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-34(25-39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m0/s1 DZUXVCBPFLNAAX-HTIIIDOHSA-N 50424346 CHEMBL2314792 Beta-secretase 1 Homo sapiens >1200 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518362 164153221 CHEMBL2314792 ZINC95596526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224114 OCC(NCc1ccccc1)c1ccc2c(NC(=O)[C@@H](N=C2c2ccccc2)c2ccccc2)c1 InChI=1S/C30H27N3O2/c34-20-27(31-19-21-10-4-1-5-11-21)24-16-17-25-26(18-24)32-30(35)29(23-14-8-3-9-15-23)33-28(25)22-12-6-2-7-13-22/h1-18,27,29,31,34H,19-20H2,(H,32,35)/t27?,29-/m0/s1 GKOVDJKWFAKAGL-ACEFPKFPSA-N 50424343 CHEMBL2314778 Beta-secretase 1 Homo sapiens >22000 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71719178 164153218 CHEMBL2314778 ZINC95597924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224115 OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C38H35N3O5/c42-34(25-39-24-27-13-5-1-6-14-27)31-21-22-32(36(43)30-19-11-4-12-20-30)33(23-31)40-37(44)35(29-17-9-3-10-18-29)41-38(45)46-26-28-15-7-2-8-16-28/h1-23,34-35,39,42H,24-26H2,(H,40,44)(H,41,45)/t34?,35-/m1/s1 DZUXVCBPFLNAAX-ICBMVRCQSA-N 50424345 CHEMBL2314793 Beta-secretase 1 Homo sapiens >2600 ChEMBL 10.1016/j.bmcl.2012.11.011 10.7270/Q24X594K 23218605 Butini, S; Gabellieri, E; Brindisi, M; Casagni, A; Guarino, E; Huleatt, PB; Relitti, N; La Pietra, V; Marinelli, L; Giustiniano, M; Novellino, E; Campiani, G; Gemma, S Universit£ degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71518685 164153220 CHEMBL2314793 ZINC95593401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50224116 CN1CC(=O)OB(OC(=O)C1)\C=C\c1ccccc1 InChI=1S/C13H14BNO4/c1-15-9-12(16)18-14(19-13(17)10-15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+ OFLDLTAQNBBGGU-BQYQJAHWSA-N 50424415 CHEMBL2315715 Beta-secretase 1 Homo sapiens 136150 ChEMBL 10.1016/j.bmcl.2012.11.068 10.7270/Q2MW2JFC 23219701 Jimenez-Aligaga, K; Bermejo-Bescos, P; Martin-Aragon, S; Csaky, AG Universidad Complutense http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71310633 164153290 CHEMBL2315715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225185 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F4N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 FBXUIKJIHZEJMQ-MRXNPFEDSA-N 50432629 CHEMBL2347214 Beta-secretase 1 Homo sapiens 66 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241710 164161504 CHEMBL2347214 ZINC95601736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225186 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1 DVMUZHLUMHPCGZ-QGZVFWFLSA-N 50432628 CHEMBL2347215 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241828 164161503 CHEMBL2347215 ZINC95602954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225187 NC1=N[C@](CCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1 ZQBDXEARYNLKKR-SFHVURJKSA-N 50432606 CHEMBL2347206::US8999980, I-53 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HQ 4J17 71112763 164161481 CHEMBL2347206 ZINC72315369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225188 C[C@]1(C[C@@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m1/s1 MELQHVBGGSKVJQ-QAPCUYQASA-N 50432605 CHEMBL2347207 Beta-secretase 1 Homo sapiens 776 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HJ 4J1H 71305059 164161480 CHEMBL2347207 ZINC95602646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225189 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1 MELQHVBGGSKVJQ-YJBOKZPZSA-N 50432601 CHEMBL2347208::US9296734, 102 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HL 4J1F 71305058 164161476 CHEMBL2347208 ZINC95604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225190 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O2/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 HIFMUVLULGJLTJ-KRWDZBQOSA-N 50432599 CHEMBL2347209::US8999980, I-8 Beta-secretase 1 Homo sapiens 137 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241151 164161474 CHEMBL2347209 ZINC95601757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225191 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 FQQAQHRJTBVECP-MRXNPFEDSA-N 50432598 CHEMBL2347210 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241709 164161473 CHEMBL2347210 ZINC95605635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225192 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccccn2)ccc1F InChI=1S/C17H15F3N4O2/c1-16(17(19,20)9-26-15(21)24-16)11-8-10(5-6-12(11)18)23-14(25)13-4-2-3-7-22-13/h2-8H,9H2,1H3,(H2,21,24)(H,23,25)/t16-/m1/s1 SYEULBIUWRUKDF-MRXNPFEDSA-N 50432630 CHEMBL2347213 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241826 164161505 CHEMBL2347213 ZINC95601764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225193 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225194 C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4OS/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 FHIOVECNBCMMAE-MRXNPFEDSA-N 50432631 CHEMBL2347212 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250998 164161506 CHEMBL2347212 ZINC95602438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225195 C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4OS/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 FHIOVECNBCMMAE-MRXNPFEDSA-N 50432631 CHEMBL2347212 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250998 164161506 CHEMBL2347212 ZINC95602438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225196 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225197 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccccn2)ccc1F InChI=1S/C17H15F3N4O2/c1-16(17(19,20)9-26-15(21)24-16)11-8-10(5-6-12(11)18)23-14(25)13-4-2-3-7-22-13/h2-8H,9H2,1H3,(H2,21,24)(H,23,25)/t16-/m1/s1 SYEULBIUWRUKDF-MRXNPFEDSA-N 50432630 CHEMBL2347213 Beta-secretase 1 Homo sapiens 294 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241826 164161505 CHEMBL2347213 ZINC95601764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225198 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 FQQAQHRJTBVECP-MRXNPFEDSA-N 50432598 CHEMBL2347210 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241709 164161473 CHEMBL2347210 ZINC95605635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225199 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H17F3N4O3/c1-17(18(20,21)9-28-16(22)25-17)12-7-10(3-5-13(12)19)24-15(26)14-6-4-11(27-2)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-/m1/s1 HNRVVAHVDIBECJ-QGZVFWFLSA-N 50432625 CHEMBL2347365 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663693 164161500 CHEMBL2347365 ZINC95603945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225200 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F InChI=1S/C19H15F3N4O2/c1-3-11-4-7-15(24-9-11)16(27)25-12-5-6-14(20)13(8-12)18(2)19(21,22)10-28-17(23)26-18/h1,4-9H,10H2,2H3,(H2,23,26)(H,25,27)/t18-/m1/s1 CQEOGCIXQLQZTF-GOSISDBHSA-N 50432626 CHEMBL2347364 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663692 164161501 CHEMBL2347364 ZINC95601107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225201 Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H17F3N4O2/c1-10-3-6-14(23-8-10)15(26)24-11-4-5-13(19)12(7-11)17(2)18(20,21)9-27-16(22)25-17/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-/m1/s1 ZCNHRJGLINKQLI-QGZVFWFLSA-N 50432627 CHEMBL2347363 Beta-secretase 1 Homo sapiens 87 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663691 164161502 CHEMBL2347363 ZINC95605829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225202 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O2/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 HIFMUVLULGJLTJ-KRWDZBQOSA-N 50432599 CHEMBL2347209::US8999980, I-8 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241151 164161474 CHEMBL2347209 ZINC95601757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225203 Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H17F3N4O2/c1-10-3-6-14(23-8-10)15(26)24-11-4-5-13(19)12(7-11)17(2)18(20,21)9-27-16(22)25-17/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-/m1/s1 ZCNHRJGLINKQLI-QGZVFWFLSA-N 50432627 CHEMBL2347363 Beta-secretase 1 Homo sapiens 87 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663691 164161502 CHEMBL2347363 ZINC95605829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225204 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1 MELQHVBGGSKVJQ-YJBOKZPZSA-N 50432601 CHEMBL2347208::US9296734, 102 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HL 4J1F 71305058 164161476 CHEMBL2347208 ZINC95604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225205 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F InChI=1S/C19H15F3N4O2/c1-3-11-4-7-15(24-9-11)16(27)25-12-5-6-14(20)13(8-12)18(2)19(21,22)10-28-17(23)26-18/h1,4-9H,10H2,2H3,(H2,23,26)(H,25,27)/t18-/m1/s1 CQEOGCIXQLQZTF-GOSISDBHSA-N 50432626 CHEMBL2347364 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663692 164161501 CHEMBL2347364 ZINC95601107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225206 C[C@]1(C[C@@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m1/s1 MELQHVBGGSKVJQ-QAPCUYQASA-N 50432605 CHEMBL2347207 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HJ 4J1H 71305059 164161480 CHEMBL2347207 ZINC95602646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225207 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H17F3N4O3/c1-17(18(20,21)9-28-16(22)25-17)12-7-10(3-5-13(12)19)24-15(26)14-6-4-11(27-2)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-/m1/s1 HNRVVAHVDIBECJ-QGZVFWFLSA-N 50432625 CHEMBL2347365 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663693 164161500 CHEMBL2347365 ZINC95603945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225208 NC1=N[C@](CCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1 ZQBDXEARYNLKKR-SFHVURJKSA-N 50432606 CHEMBL2347206::US8999980, I-53 Beta-secretase 1 Homo sapiens 9 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1HQ 4J17 71112763 164161481 CHEMBL2347206 ZINC72315369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225209 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C18H14F6N4O3/c1-16(17(20,21)8-30-15(25)28-16)11-6-9(2-4-12(11)19)27-14(29)13-5-3-10(7-26-13)31-18(22,23)24/h2-7H,8H2,1H3,(H2,25,28)(H,27,29)/t16-/m1/s1 MQEXMAQRIOGEIK-MRXNPFEDSA-N 50432624 CHEMBL2347366 Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663694 164161499 CHEMBL2347366 ZINC95605541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225210 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1 ALKHFUPBQSAGMS-CRAIPNDOSA-N 50432607 CHEMBL2347205::US8754075, 33 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H6 4J0Y 66558858 164161482 CHEMBL2347205 ZINC95601492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225211 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H16F6N4O3/c1-17(18(21,22)8-32-16(26)29-17)12-6-10(2-4-13(12)20)28-15(30)14-5-3-11(7-27-14)31-9-19(23,24)25/h2-7H,8-9H2,1H3,(H2,26,29)(H,28,30)/t17-/m1/s1 QIDZVQSSIOGZDK-QGZVFWFLSA-N 50432622 CHEMBL2347368 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241933 164161497 CHEMBL2347368 ZINC95603901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225212 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1 ALKHFUPBQSAGMS-MAUKXSAKSA-N 50432608 CHEMBL2347204::US8754075, 4 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H7 4J0V 66558601 164161483 CHEMBL2347204 ZINC95604687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225213 CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C19H19F3N4O3/c1-3-28-12-5-7-15(24-9-12)16(27)25-11-4-6-14(20)13(8-11)18(2)19(21,22)10-29-17(23)26-18/h4-9H,3,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-/m1/s1 DWKGLYKXNUIYDM-GOSISDBHSA-N 50432623 CHEMBL2347367 Beta-secretase 1 Homo sapiens 184 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6T9 3ZLQ,4J0T 71305034 164161498 CHEMBL2347367 ZINC95601198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225214 CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C19H19F3N4O3/c1-3-28-12-5-7-15(24-9-12)16(27)25-11-4-6-14(20)13(8-11)18(2)19(21,22)10-29-17(23)26-18/h4-9H,3,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-/m1/s1 DWKGLYKXNUIYDM-GOSISDBHSA-N 50432623 CHEMBL2347367 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6T9 3ZLQ,4J0T 71305034 164161498 CHEMBL2347367 ZINC95601198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225215 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1 ALKHFUPBQSAGMS-MAUKXSAKSA-N 50432608 CHEMBL2347204::US8754075, 4 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H7 4J0V 66558601 164161483 CHEMBL2347204 ZINC95604687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225216 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H16F6N4O3/c1-17(18(21,22)8-32-16(26)29-17)12-6-10(2-4-13(12)20)28-15(30)14-5-3-11(7-27-14)31-9-19(23,24)25/h2-7H,8-9H2,1H3,(H2,26,29)(H,28,30)/t17-/m1/s1 QIDZVQSSIOGZDK-QGZVFWFLSA-N 50432622 CHEMBL2347368 Beta-secretase 1 Homo sapiens 108 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241933 164161497 CHEMBL2347368 ZINC95603901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225217 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C18H14F6N4O3/c1-16(17(20,21)8-30-15(25)28-16)11-6-9(2-4-12(11)19)27-14(29)13-5-3-10(7-26-13)31-18(22,23)24/h2-7H,8H2,1H3,(H2,25,28)(H,27,29)/t16-/m1/s1 MQEXMAQRIOGEIK-MRXNPFEDSA-N 50432624 CHEMBL2347366 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663694 164161499 CHEMBL2347366 ZINC95605541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225218 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1 ALKHFUPBQSAGMS-CRAIPNDOSA-N 50432607 CHEMBL2347205::US8754075, 33 Beta-secretase 1 Homo sapiens 435 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H6 4J0Y 66558858 164161482 CHEMBL2347205 ZINC95601492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225219 COc1ccc(cc1)C1(C)CCSC(N)=N1 InChI=1S/C12H16N2OS/c1-12(7-8-16-11(13)14-12)9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,13,14) VKHSIJFRPDEMHV-UHFFFAOYSA-N 50432600 CHEMBL2347369 Beta-secretase 1 Homo sapiens 41200 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XK0 4BEK 12402626 164161475 CHEMBL2347369 ZINC39221106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225220 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C17H16F3N5O3/c1-16(17(19,20)8-28-15(21)25-16)10-5-9(3-4-11(10)18)24-14(26)12-6-23-13(27-2)7-22-12/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1 YPYVNGJSDUTKIO-MRXNPFEDSA-N 50432617 CHEMBL2347195 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663695 164161492 CHEMBL2347195 ZINC95604139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225221 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C18H15F6N5O3/c1-16(17(20,21)7-32-15(25)29-16)10-4-9(2-3-11(10)19)28-14(30)12-5-27-13(6-26-12)31-8-18(22,23)24/h2-6H,7-8H2,1H3,(H2,25,29)(H,28,30)/t16-/m1/s1 OZLMKUNCILJVMA-MRXNPFEDSA-N 50432616 CHEMBL2347196 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663858 164161491 CHEMBL2347196 ZINC95605582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225222 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C19H16F3N5O3/c1-3-6-29-15-9-24-14(8-25-15)16(28)26-11-4-5-13(20)12(7-11)18(2)19(21,22)10-30-17(23)27-18/h1,4-5,7-9H,6,10H2,2H3,(H2,23,27)(H,26,28)/t18-/m1/s1 VZVGCEGYUMDYMU-GOSISDBHSA-N 50432615 CHEMBL2347197 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71718352 164161490 CHEMBL2347197 ZINC95601539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225223 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C20H18F3N5O3/c1-3-4-7-30-16-10-25-15(9-26-16)17(29)27-12-5-6-14(21)13(8-12)19(2)20(22,23)11-31-18(24)28-19/h5-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,27,29)/t19-/m1/s1 RULHZYOVKRJKJG-LJQANCHMSA-N 50432614 CHEMBL2347198 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71619629 164161489 CHEMBL2347198 ZINC95602452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225224 Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C16H16F3N5O2/c1-15(16(18,19)8-26-14(20)22-15)10-7-9(3-4-11(10)17)21-13(25)12-5-6-24(2)23-12/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,25)/t15-/m1/s1 OTZXLWIDYPQTOQ-OAHLLOKOSA-N 50432613 CHEMBL2347199 Beta-secretase 1 Homo sapiens 446 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241205 164161488 CHEMBL2347199 ZINC95604129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225225 Cn1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C16H15ClF3N5O2/c1-15(16(19,20)7-27-14(21)23-15)9-5-8(3-4-11(9)18)22-13(26)12-10(17)6-25(2)24-12/h3-6H,7H2,1-2H3,(H2,21,23)(H,22,26)/t15-/m1/s1 YAOLSFUTRVAXLB-OAHLLOKOSA-N 50432612 CHEMBL2347200 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241937 164161487 CHEMBL2347200 ZINC95605312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225226 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C16H14F5N5O2/c1-15(16(20,21)7-28-14(22)24-15)9-6-8(2-3-10(9)17)23-12(27)11-4-5-26(25-11)13(18)19/h2-6,13H,7H2,1H3,(H2,22,24)(H,23,27)/t15-/m1/s1 ZGKZXHJOPQGOHJ-OAHLLOKOSA-N 50432611 CHEMBL2347201 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241206 164161486 CHEMBL2347201 ZINC95604776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225227 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C16H13ClF5N5O2/c1-15(16(21,22)6-29-14(23)25-15)8-4-7(2-3-10(8)18)24-12(28)11-9(17)5-27(26-11)13(19)20/h2-5,13H,6H2,1H3,(H2,23,25)(H,24,28)/t15-/m1/s1 YEHRNWYFLZJYAG-OAHLLOKOSA-N 50432610 CHEMBL2347202 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241302 164161485 CHEMBL2347202 ZINC95602453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225228 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225229 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1 DVMUZHLUMHPCGZ-QGZVFWFLSA-N 50432628 CHEMBL2347215 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241828 164161503 CHEMBL2347215 ZINC95602954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225230 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F4N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 FBXUIKJIHZEJMQ-MRXNPFEDSA-N 50432629 CHEMBL2347214 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241710 164161504 CHEMBL2347214 ZINC95601736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225231 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)10-4-9(2-3-11(10)18)24-13(26)12-22-5-8(17)6-23-12/h2-6H,7H2,1H3,(H2,21,25)(H,24,26)/t15-/m1/s1 CZXDOHMWCZCKBD-OAHLLOKOSA-N 50432618 CHEMBL2347194 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241932 164161493 CHEMBL2347194 ZINC95604170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225182 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C18H15F6N5O3/c1-16(17(20,21)7-32-15(25)29-16)10-4-9(2-3-11(10)19)28-14(30)12-5-27-13(6-26-12)31-8-18(22,23)24/h2-6H,7-8H2,1H3,(H2,25,29)(H,28,30)/t16-/m1/s1 OZLMKUNCILJVMA-MRXNPFEDSA-N 50432616 CHEMBL2347196 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663858 164161491 CHEMBL2347196 ZINC95605582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225183 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C17H16F3N5O3/c1-16(17(19,20)8-28-15(21)25-16)10-5-9(3-4-11(10)18)24-14(26)12-6-23-13(27-2)7-22-12/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1 YPYVNGJSDUTKIO-MRXNPFEDSA-N 50432617 CHEMBL2347195 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71663695 164161492 CHEMBL2347195 ZINC95604139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50225184 C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)10-4-9(2-3-11(10)18)24-13(26)12-22-5-8(17)6-23-12/h2-6H,7H2,1H3,(H2,21,25)(H,24,26)/t15-/m1/s1 CZXDOHMWCZCKBD-OAHLLOKOSA-N 50432618 CHEMBL2347194 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm400225m 10.7270/Q2RX9DFZ 23590342 Hilpert, H; Guba, W; Woltering, TJ; Wostl, W; Pinard, E; Mauser, H; Mayweg, AV; Rogers-Evans, M; Humm, R; Krummenacher, D; Muser, T; Schnider, C; Jacobsen, H; Ozmen, L; Bergadano, A; Banner, DW; Hochstrasser, R; Kuglstatter, A; David-Pierson, P; Fischer, H; Polara, A; Narquizian, R F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53241932 164161493 CHEMBL2347194 ZINC95604170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214102 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCCC1=O InChI=1S/C29H37F2N3O3/c1-20(35)33-26(16-21-14-23(30)18-24(31)15-21)27(36)19-32-29(11-4-2-5-12-29)22-8-7-9-25(17-22)34-13-6-3-10-28(34)37/h7-9,14-15,17-18,26-27,32,36H,2-6,10-13,16,19H2,1H3,(H,33,35)/t26-,27+/m0/s1 KNSUFDSYTXUXKM-RRPNLBNLSA-N 50323486 CHEMBL1209222::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxopiperidin-1-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862292 117644807 CHEMBL1209222 ZINC58538202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214103 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(I)c1 InChI=1S/C24H29F2IN2O2/c1-16(30)29-22(12-17-10-19(25)14-20(26)11-17)23(31)15-28-24(8-3-2-4-9-24)18-6-5-7-21(27)13-18/h5-7,10-11,13-14,22-23,28,31H,2-4,8-9,12,15H2,1H3,(H,29,30)/t22-,23+/m0/s1 NMVADCDYVIVWHB-XZOQPEGZSA-N 50323514 CHEMBL1209892::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-iodophenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 460 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862829 117644835 CHEMBL1209892 ZINC58487737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214104 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCO1 InChI=1S/C25H30F2N2O3/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(7-8-25)19-5-2-4-18(13-19)24-6-3-9-32-24/h2,4-5,10-11,13-14,22-24,28,31H,3,6-9,12,15H2,1H3,(H,29,30)/t22-,23+,24?/m0/s1 DGXDCVZUXDMTLV-XAGPSQNTSA-N 50323480 CHEMBL1209356::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-2-yl)phenyl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862409 117644801 CHEMBL1209356 ZINC62224446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214105 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1(C)CCCO1 InChI=1S/C26H32F2N2O3/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(8-9-26)20-6-3-5-19(14-20)25(2)7-4-10-33-25/h3,5-6,11-12,14-15,23-24,29,32H,4,7-10,13,16H2,1-2H3,(H,30,31)/t23-,24+,25?/m0/s1 MPYBDRDFSBFESO-ZXABPTRBSA-N 50323479 CHEMBL1209357::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-methyltetrahydrofuran-2-yl)phenyl)cyclopropylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862410 117644800 CHEMBL1209357 ZINC62224442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214106 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOC1=O InChI=1S/C27H33F2N3O4/c1-18(33)31-24(14-19-12-21(28)16-22(29)13-19)25(34)17-30-27(8-3-2-4-9-27)20-6-5-7-23(15-20)32-10-11-36-26(32)35/h5-7,12-13,15-16,24-25,30,34H,2-4,8-11,14,17H2,1H3,(H,31,33)/t24-,25+/m0/s1 YXVNISVSDYADOS-LOSJGSFVSA-N 50323491 CHEMBL1209165::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxooxazolidin-3-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862243 117644812 CHEMBL1209165 ZINC58534588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214107 C\C=C(/C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C28H36F2N2O2/c1-4-19(2)22-9-8-10-23(16-22)28(11-6-5-7-12-28)31-18-27(34)26(32-20(3)33)15-21-13-24(29)17-25(30)14-21/h4,8-10,13-14,16-17,26-27,31,34H,5-7,11-12,15,18H2,1-3H3,(H,32,33)/b19-4+/t26-,27+/m0/s1 JGGAGJGEZQIQKI-OURLZKMLSA-N 50323510 CHEMBL1208871::N-((2S,3R)-4-(1-(3-((E)-but-2-en-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862037 117644831 CHEMBL1208871 ZINC58534851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214108 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1=O InChI=1S/C29H36F2N2O3/c1-19(34)33-26(15-20-13-23(30)17-24(31)14-20)28(36)18-32-29(11-3-2-4-12-29)22-8-5-7-21(16-22)25-9-6-10-27(25)35/h5,7-8,13-14,16-17,25-26,28,32,36H,2-4,6,9-12,15,18H2,1H3,(H,33,34)/t25?,26-,28+/m0/s1 BYVHUPDBTJVHPS-ZLEDJERYSA-N 50323489 CHEMBL1209167::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxocyclopentyl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862245 117644810 CHEMBL1209167 ZINC62224458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214109 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCNC1=O InChI=1S/C27H34F2N4O3/c1-18(34)32-24(14-19-12-21(28)16-22(29)13-19)25(35)17-31-27(8-3-2-4-9-27)20-6-5-7-23(15-20)33-11-10-30-26(33)36/h5-7,12-13,15-16,24-25,31,35H,2-4,8-11,14,17H2,1H3,(H,30,36)(H,32,34)/t24-,25+/m0/s1 FKHMBXUPOKQOFP-LOSJGSFVSA-N 50323490 CHEMBL1209166::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxoimidazolidin-1-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862244 117644811 CHEMBL1209166 ZINC58538297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214110 CCC(C)(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C29H40F2N2O2/c1-5-28(3,4)22-10-9-11-23(17-22)29(12-7-6-8-13-29)32-19-27(35)26(33-20(2)34)16-21-14-24(30)18-25(31)15-21/h9-11,14-15,17-18,26-27,32,35H,5-8,12-13,16,19H2,1-4H3,(H,33,34)/t26-,27+/m0/s1 HYRLUFRAIZNHCE-RRPNLBNLSA-N 50323509 CHEMBL1208872::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-tert-pentylphenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862038 117644830 CHEMBL1208872 ZINC58538261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214111 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCCC1 InChI=1S/C30H40F2N2O2/c1-21(35)34-28(17-22-15-26(31)19-27(32)16-22)29(36)20-33-30(13-6-3-7-14-30)25-12-8-11-24(18-25)23-9-4-2-5-10-23/h8,11-12,15-16,18-19,23,28-29,33,36H,2-7,9-10,13-14,17,20H2,1H3,(H,34,35)/t28-,29+/m0/s1 XEJNDOMRQVBSQN-URLMMPGGSA-N 50323488 CHEMBL1209168::N-((2S,3R)-4-(1-(3-cyclohexylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862246 117644809 CHEMBL1209168 ZINC58541068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214112 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCO1 InChI=1S/C28H36F2N2O3/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5,7-8,13-14,16-17,25-27,31,34H,2-4,6,9-12,15,18H2,1H3,(H,32,33)/t25-,26+,27?/m0/s1 ABEHCBWGIABROV-AJRFNQODSA-N 50323494 CHEMBL1209105::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862203 117644815 CHEMBL1209105 ZINC62224464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214113 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1 InChI=1S/C29H38F2N2O2/c1-20(34)33-27(16-21-14-25(30)18-26(31)15-21)28(35)19-32-29(12-5-2-6-13-29)24-11-7-10-23(17-24)22-8-3-4-9-22/h7,10-11,14-15,17-18,22,27-28,32,35H,2-6,8-9,12-13,16,19H2,1H3,(H,33,34)/t27-,28+/m0/s1 MOWKTBNHXQTNKZ-WUFINQPMSA-N 50323495 CHEMBL1209104::N-((2S,3R)-4-(1-(3-cyclopentylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide Beta-secretase 1 Homo sapiens 940 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862202 117644816 CHEMBL1209104 ZINC58537985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214114 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCC1=O InChI=1S/C28H35F2N3O3/c1-19(34)32-25(15-20-13-22(29)17-23(30)14-20)26(35)18-31-28(10-3-2-4-11-28)21-7-5-8-24(16-21)33-12-6-9-27(33)36/h5,7-8,13-14,16-17,25-26,31,35H,2-4,6,9-12,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 WLNJAXBWILAYMG-IZZNHLLZSA-N 50323492 CHEMBL1209107::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxopyrrolidin-1-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 820 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49862204 117644813 CHEMBL1209107 ZINC58537978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214115 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,27+/m0/s1 MERCNGFJQWZGEA-NYRYZVAPSA-N 50323493 CHEMBL1209106::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-3-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide Beta-secretase 1 Homo sapiens 88 ChEMBL 10.1016/j.bmcl.2010.06.112 10.7270/Q23N24CF 20634069 Truong, AP; Probst, GD; Aquino, J; Fang, L; Brogley, L; Sealy, JM; Hom, RK; Tucker, JA; John, V; Tung, JS; Pleiss, MA; Konradi, AW; Sham, HL; Dappen, MS; Toth, G; Yao, N; Brecht, E; Pan, H; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Zmolek, W; Quinn, KP; Sauer, JM Elan Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927945 117644814 CHEMBL1209106 ZINC62224461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214116 Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCNC1CCCCC1 InChI=1S/C22H26BrClN2O2/c23-17-10-11-21(28-13-12-25-18-7-2-1-3-8-18)20(15-17)26-22(27)14-16-6-4-5-9-19(16)24/h4-6,9-11,15,18,25H,1-3,7-8,12-14H2,(H,26,27) MPBICLGGBPVNKB-UHFFFAOYSA-N 50323875 1-(5-Bromo-2-(2-(cyclohexylamino)ethoxy)phenyl)-3-(2-chlorophenyl)urea::CHEMBL1214158 Beta-secretase 1 Homo sapiens >42800 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863789 117645196 CHEMBL1214158 ZINC58541232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214117 OCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl InChI=1S/C21H26BrClN2O3/c22-17-8-9-20(28-13-11-24-10-4-1-5-12-26)19(15-17)25-21(27)14-16-6-2-3-7-18(16)23/h2-3,6-9,15,24,26H,1,4-5,10-14H2,(H,25,27) LPVDUIZFJKTWED-UHFFFAOYSA-N 50323877 1-(5-Bromo-2-(2-(5-hydroxypentylamino)ethoxy)phenyl)-3-(2-chlorophenyl)urea::CHEMBL1214215 Beta-secretase 1 Homo sapiens >42400 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863805 117645198 CHEMBL1214215 ZINC58541445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214118 CCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl InChI=1S/C22H28BrClN2O2/c1-2-3-4-7-12-25-13-14-28-21-11-10-18(23)16-20(21)26-22(27)15-17-8-5-6-9-19(17)24/h5-6,8-11,16,25H,2-4,7,12-15H2,1H3,(H,26,27) PYBQIWVUMRUOHI-UHFFFAOYSA-N 50323876 1-(5-Bromo-2-(2-(hexylamino)ethoxy)phenyl)-3-(2-chlorophenyl)urea::CHEMBL1214214 Beta-secretase 1 Homo sapiens 29400 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863804 117645197 CHEMBL1214214 ZINC58541527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214119 NCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl InChI=1S/C19H23BrClN3O2/c20-15-6-7-18(26-11-10-23-9-3-8-22)17(13-15)24-19(25)12-14-4-1-2-5-16(14)21/h1-2,4-7,13,23H,3,8-12,22H2,(H,24,25) ASYAYEKJHOIEME-UHFFFAOYSA-N 50323880 1-(2-(2-(3-Aminopropylamino)ethoxy)-5-bromophenyl)-3-(2-chlorophenyl)urea::CHEMBL1214218 Beta-secretase 1 Homo sapiens >45200 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863808 117645201 CHEMBL1214218 ZINC58548086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214120 NCCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl InChI=1S/C22H29BrClN3O2/c23-18-9-10-21(29-14-13-26-12-6-2-1-5-11-25)20(16-18)27-22(28)15-17-7-3-4-8-19(17)24/h3-4,7-10,16,26H,1-2,5-6,11-15,25H2,(H,27,28) NYYWKOMZLSXDEH-UHFFFAOYSA-N 50323879 -(2-(2-(6-Aminohexylamino)ethoxy)-5-bromophenyl)-3-(2-chlorophenyl)urea::CHEMBL1214217 Beta-secretase 1 Homo sapiens 27800 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863807 117645200 CHEMBL1214217 ZINC58547902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214121 Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCNC1CC1 InChI=1S/C19H20BrClN2O2/c20-14-5-8-18(25-10-9-22-15-6-7-15)17(12-14)23-19(24)11-13-3-1-2-4-16(13)21/h1-5,8,12,15,22H,6-7,9-11H2,(H,23,24) SCGJZSPWPIQECM-UHFFFAOYSA-N 50323878 1-(5-Bromo-2-(2-(cyclopropylamino)ethoxy)phenyl)-3-(2-chlorophenyl)urea::CHEMBL1214216 Beta-secretase 1 Homo sapiens 37600 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863806 117645199 CHEMBL1214216 ZINC58541568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214122 Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCN1CCCCC1 InChI=1S/C21H24BrClN2O2/c22-17-8-9-20(27-13-12-25-10-4-1-5-11-25)19(15-17)24-21(26)14-16-6-2-3-7-18(16)23/h2-3,6-9,15H,1,4-5,10-14H2,(H,24,26) JEGNCLQOHOHRIQ-UHFFFAOYSA-N 50323874 1-(5-Bromo-2-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(2-chlorophenyl)urea::CHEMBL1214157 Beta-secretase 1 Homo sapiens >44200 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50323874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50323874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 49863788 117645195 CHEMBL1214157 ZINC58538312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50214123 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmc.2010.06.042 10.7270/Q2B27W8D 20620068 Huang, W; Lv, D; Yu, H; Sheng, R; Kim, SC; Wu, P; Luo, K; Li, J; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216334 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-18-8-20(29)12-21(30)9-18)25(35)16-31-24-14-28(6-5-7-28)36-26-22(24)10-19(15-32-26)13-27(2,3)4/h8-10,12,15,23-25,31,35H,5-7,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1 ZZIYYUNIVIIWAU-CCDWMCETSA-N 50383837 CHEMBL2030998 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70687977 160862920 CHEMBL2030998 ZINC84671120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216335 CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1 InChI=1S/C28H37F2N3O4/c1-27(2,3)10-18-8-21-23(13-28(11-20(34)12-28)37-26(21)32-15-18)31-16-24(35)22(33-25(36)14-29)9-17-4-6-19(30)7-5-17/h4-8,15,20,22-24,31,34-35H,9-14,16H2,1-3H3,(H,33,36)/t20-,22-,23-,24+,28+/m0/s1 QDNYUOBQNJAFJZ-KCNRKALRSA-N 50383856 CHEMBL2031150 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70681599 160862939 CHEMBL2031150 ZINC84652295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216336 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28-/m0/s1 WRMXZVCISFLWNB-CGDFKPNQSA-N 50383853 CHEMBL2031147 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60168050 160862936 CHEMBL2031147 ZINC84652293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50216337 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28-/m0/s1 WRMXZVCISFLWNB-CGDFKPNQSA-N 50383853 CHEMBL2031147 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2012.04.060 10.7270/Q2BP03TM 22572583 Monenschein, H; Horne, DB; Bartberger, MD; Hitchcock, SA; Nguyen, TT; Patel, VF; Pennington, LD; Zhong, W Envoy Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60168050 160862936 CHEMBL2031147 ZINC84652293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218615 CN1C(=O)CC2(N=C1N)[C@H]1CCC3(CC1Oc1ccc(cc21)-c1cc(F)cc(Cl)c1)OCCO3 InChI=1S/C25H25ClFN3O4/c1-30-22(31)13-25(29-23(30)28)18-4-5-24(32-6-7-33-24)12-21(18)34-20-3-2-14(10-19(20)25)15-8-16(26)11-17(27)9-15/h2-3,8-11,18,21H,4-7,12-13H2,1H3,(H2,28,29)/t18-,21?,25?/m0/s1 GDKALKZMSYCZMM-HHIIEYADSA-N 50393092 CHEMBL2152907 Beta-secretase 1 Homo sapiens 3084 ChEMBL 10.1021/ml300318y 10.7270/Q2416Z59 24900395 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71454829 163342116 CHEMBL2152907 ZINC95580055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218616 NC1=N[C@]2(CO1)[C@H]1C[C@H](COC1Oc1ccc(cc21)-c1cncc(Cl)c1)OCC1CC1 InChI=1S/C23H24ClN3O4/c24-16-5-15(8-26-9-16)14-3-4-20-18(6-14)23(12-30-22(25)27-23)19-7-17(11-29-21(19)31-20)28-10-13-1-2-13/h3-6,8-9,13,17,19,21H,1-2,7,10-12H2,(H2,25,27)/t17-,19+,21?,23+/m1/s1 ZPBOQODCXCRRAT-WOHDYEKXSA-N 50393094 CHEMBL2152908 Beta-secretase 1 Homo sapiens 7.8 ChEMBL 10.1021/ml300318y 10.7270/Q2416Z59 24900395 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453097 163342118 CHEMBL2152908 ZINC95578272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218617 NC1=N[C@@]2(CO1)[C@H]1C[C@H](COC1Oc1ccc(cc21)-c1cncc(Cl)c1)OCC1CC1 InChI=1S/C23H24ClN3O4/c24-16-5-15(8-26-9-16)14-3-4-20-18(6-14)23(12-30-22(25)27-23)19-7-17(11-29-21(19)31-20)28-10-13-1-2-13/h3-6,8-9,13,17,19,21H,1-2,7,10-12H2,(H2,25,27)/t17-,19+,21?,23-/m1/s1 ZPBOQODCXCRRAT-JGMWDMSASA-N 50393093 CHEMBL2152909 Beta-secretase 1 Homo sapiens 8.9 ChEMBL 10.1021/ml300318y 10.7270/Q2416Z59 24900395 Abdel-Magid, AF TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71458462 163342117 CHEMBL2152909 ZINC95571843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218619 CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1 AFJAHDBTQQSSKB-MHZLTWQESA-N 50393096 CHEMBL2152911::US9346827, 15 Beta-secretase 1 Homo sapiens 7 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164519 163342120 CHEMBL2152911 ZINC95573567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218620 NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m0/s1 ZASOWXQELAKJDI-SANMLTNESA-N 50393095 CHEMBL2152910::US9346827, 14 Beta-secretase 1 Homo sapiens 1 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60144368 163342119 CHEMBL2152910 ZINC95576106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218623 CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1 AFJAHDBTQQSSKB-MHZLTWQESA-N 50393096 CHEMBL2152911::US9346827, 15 Beta-secretase 1 Homo sapiens 0.500000 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393096&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60164519 163342120 CHEMBL2152911 ZINC95573567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218625 NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m0/s1 ZASOWXQELAKJDI-SANMLTNESA-N 50393095 CHEMBL2152910::US9346827, 14 Beta-secretase 1 Homo sapiens 0.500000 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393095&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60144368 163342119 CHEMBL2152910 ZINC95576106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218626 NC1=N[C@@]2(CCOC1)c1cc(ccc1Oc1cnc(cc21)C1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C26H23F3N4O2/c27-24-17(2-1-8-31-24)15-3-4-21-18(10-15)26(7-9-34-14-23(30)33-26)19-11-20(32-13-22(19)35-21)16-5-6-25(28,29)12-16/h1-4,8,10-11,13,16H,5-7,9,12,14H2,(H2,30,33)/t16?,26-/m0/s1 MXOSSLRLTNGTMQ-TZHIXCAUSA-N 50393098 CHEMBL2152913 Beta-secretase 1 Homo sapiens 3 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449476 163342122 CHEMBL2152913 ZINC95574208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218629 NC1=N[C@@]2(CCOC1)c1cc(ccc1Oc1cnc(cc21)-c1ccc(F)c(F)c1)-c1cccnc1F InChI=1S/C27H19F3N4O2/c28-20-5-3-16(11-21(20)29)22-12-19-24(13-33-22)36-23-6-4-15(17-2-1-8-32-26(17)30)10-18(23)27(19)7-9-35-14-25(31)34-27/h1-6,8,10-13H,7,9,14H2,(H2,31,34)/t27-/m0/s1 AXPJUDTYMWQLHT-MHZLTWQESA-N 50393097 CHEMBL2152912 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68352447 163342121 CHEMBL2152912 ZINC95576048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218638 NC1=N[C@@]2(CCOC1)c1cc(ccc1Oc1cnc(cc21)C1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C26H23F3N4O2/c27-24-17(2-1-8-31-24)15-3-4-21-18(10-15)26(7-9-34-14-23(30)33-26)19-11-20(32-13-22(19)35-21)16-5-6-25(28,29)12-16/h1-4,8,10-11,13,16H,5-7,9,12,14H2,(H2,30,33)/t16?,26-/m0/s1 MXOSSLRLTNGTMQ-TZHIXCAUSA-N 50393098 CHEMBL2152913 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393098&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71449476 163342122 CHEMBL2152913 ZINC95574208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218644 NC1=N[C@@]2(CCOC1)c1cc(ccc1Oc1cnc(cc21)-c1ccc(F)c(F)c1)-c1cccnc1F InChI=1S/C27H19F3N4O2/c28-20-5-3-16(11-21(20)29)22-12-19-24(13-33-22)36-23-6-4-15(17-2-1-8-32-26(17)30)10-18(23)27(19)7-9-35-14-25(31)34-27/h1-6,8,10-13H,7,9,14H2,(H2,31,34)/t27-/m0/s1 AXPJUDTYMWQLHT-MHZLTWQESA-N 50393097 CHEMBL2152912 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/ml300323y 10.7270/Q20C4WVW 24900396 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68352447 163342121 CHEMBL2152912 ZINC95576048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218646 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 InChI=1S/C27H29N3O/c1-4-6-19-7-5-8-20(15-19)21-9-10-22-17-26(13-11-23(31-3)12-14-26)27(24(22)16-21)29-18(2)25(28)30-27/h5,7-10,15-16,23H,11-14,17H2,1-3H3,(H2,28,30)/t23-,26-,27? YNWCSWFGCSURHN-HAOYJSTOSA-N 50393103 CHEMBL2151058::US10231967, Example 20z::US9918985, Example 20z Beta-secretase 1 Homo sapiens 5.2 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979424 163342127 CHEMBL2151058 ZINC95571879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218647 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26? WKDNQONLGXOZRG-HDVKRFLQSA-N 50393099 CHEMBL2152914::US10231967, Example 122::US9918985, Example 122 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57404290 163342123 CHEMBL2152914 ZINC95576076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218652 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 InChI=1S/C23H25BrN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23? UMCUVZSSUIPNCL-SCTJWGJOSA-N 50393104 CHEMBL2152918::US10231967, Example 20aa::US9918985, Example 20aa Beta-secretase 1 Homo sapiens 0.720000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979331 163342128 CHEMBL2152918 ZINC95576581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218653 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC InChI=1S/C25H26N4O2/c1-4-5-17-12-19(15-27-14-17)18-6-7-22-21(13-18)25(28-16(2)23(26)29-25)24(31-22)10-8-20(30-3)9-11-24/h6-7,12-15,20H,8-11H2,1-3H3,(H2,26,29) OIEDCASQCHKJPE-UHFFFAOYSA-N 50393105 CHEMBL2152919 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979392 163342129 CHEMBL2152919 ZINC95578302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218654 CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27? OYVJXWZSTBCONR-HAOYJSTOSA-N 50393106 CHEMBL2152920::US10231967, Example 72::US9918985, Example 72 Beta-secretase 1 Homo sapiens 0.760000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387166 163342130 CHEMBL2152920 ZINC95579423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218656 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 InChI=1S/C27H29N3O/c1-4-6-19-7-5-8-20(15-19)21-9-10-22-17-26(13-11-23(31-3)12-14-26)27(24(22)16-21)29-18(2)25(28)30-27/h5,7-10,15-16,23H,11-14,17H2,1-3H3,(H2,28,30)/t23-,26-,27? YNWCSWFGCSURHN-HAOYJSTOSA-N 50393103 CHEMBL2151058::US10231967, Example 20z::US9918985, Example 20z Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979424 163342127 CHEMBL2151058 ZINC95571879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218663 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)20-10-15(17-9-18(13-28)22(27)21(26)11-17)3-4-16(20)12-24(25)7-5-19(32-2)6-8-24/h3-4,9-11,19H,5-8,12H2,1-2H3,(H2,29,31)/t19-,24-,25? FMNVIPHETSINMI-SSEMJGATSA-N 50393107 CHEMBL2152921 Beta-secretase 1 Homo sapiens 0.590000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388118 163342131 CHEMBL2152921 ZINC95574796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218664 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 InChI=1S/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22? BQDUISPSAOQZDJ-JOECNLHFSA-N 50393102 CHEMBL2152917::US10231967, Example 20t::US8865911, 20t::US8865911, 20t Isomer 1::US8865911, 20t Isomer 2::US9918985, Example 20t Isomer 1 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385877 163342126 CHEMBL2152917 ZINC95575503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218666 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23? ZTHSMBOBTMQWJX-SCTJWGJOSA-N 50393101 CHEMBL2152916::US10231967, Example 20i::US8865911, 20i::US8865911, 20i Isomer 1::US8865911, 20i Isomer 2::US9918985, Example 20i Isomer 1 Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385625 163342125 CHEMBL2152916 ZINC95580434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218671 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25? MQWMIBOBCNOFGX-TYRCWPPYSA-N 50393100 CHEMBL2152915::US10231967, Example 125::US9918985, Example 125 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57385371 163342124 CHEMBL2152915 ZINC95573530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218672 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)20-10-15(17-9-18(13-28)22(27)21(26)11-17)3-4-16(20)12-24(25)7-5-19(32-2)6-8-24/h3-4,9-11,19H,5-8,12H2,1-2H3,(H2,29,31)/t19-,24-,25? FMNVIPHETSINMI-SSEMJGATSA-N 50393107 CHEMBL2152921 Beta-secretase 1 Homo sapiens 0.720000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57388118 163342131 CHEMBL2152921 ZINC95574796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218673 CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 InChI=1S/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27? OYVJXWZSTBCONR-HAOYJSTOSA-N 50393106 CHEMBL2152920::US10231967, Example 72::US9918985, Example 72 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57387166 163342130 CHEMBL2152920 ZINC95579423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218674 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC InChI=1S/C25H26N4O2/c1-4-5-17-12-19(15-27-14-17)18-6-7-22-21(13-18)25(28-16(2)23(26)29-25)24(31-22)10-8-20(30-3)9-11-24/h6-7,12-15,20H,8-11H2,1-3H3,(H2,26,29) OIEDCASQCHKJPE-UHFFFAOYSA-N 50393105 CHEMBL2152919 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979392 163342129 CHEMBL2152919 ZINC95578302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218675 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 InChI=1S/C23H25BrN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23? UMCUVZSSUIPNCL-SCTJWGJOSA-N 50393104 CHEMBL2152918::US10231967, Example 20aa::US9918985, Example 20aa Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979331 163342128 CHEMBL2152918 ZINC95576581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50218676 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26? WKDNQONLGXOZRG-HDVKRFLQSA-N 50393099 CHEMBL2152914::US10231967, Example 122::US9918985, Example 122 Beta-secretase 1 Homo sapiens 0.280000 ChEMBL 10.1021/ml300324q 10.7270/Q2VM4DC0 24900397 Blass, B TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57404290 163342123 CHEMBL2152914 ZINC95576076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220848 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O2S/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) UQXJFBGTDDXZDI-UHFFFAOYSA-N 50398885 CHEMBL2178204 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941304 163347909 CHEMBL2178204 ZINC34775658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220849 Cc1onc(c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1)-c1ccc(F)cc1 InChI=1S/C19H15Cl2FN4O2/c1-10-16(17(26-28-10)12-2-4-15(22)5-3-12)18(27)25-19(23)24-9-11-6-13(20)8-14(21)7-11/h2-8H,9H2,1H3,(H3,23,24,25,27) OESIAWWQMKIOHQ-UHFFFAOYSA-N 50398904 CHEMBL2178199 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962926 163347928 CHEMBL2178199 ZINC95572815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220850 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(C)=O)c(Cl)c1 InChI=1S/C23H24ClN5O3S/c1-12-9-15(10-18(24)20(12)27-14(3)30)11-26-23(25)28-22(31)19-13(2)33-29-21(19)16-5-7-17(32-4)8-6-16/h5-10H,11H2,1-4H3,(H,27,30)(H3,25,26,28,31) MQPJKTGBSCCWTI-UHFFFAOYSA-N 50398881 CHEMBL2178181 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11983210 163347905 CHEMBL2178181 ZINC43151686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220852 Cc1onc(c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1)-c1ccccc1 InChI=1S/C19H16Cl2N4O2/c1-11-16(17(25-27-11)13-5-3-2-4-6-13)18(26)24-19(22)23-10-12-7-14(20)9-15(21)8-12/h2-9H,10H2,1H3,(H3,22,23,24,26) VQBNLMLYUVICKA-UHFFFAOYSA-N 50398905 CHEMBL2178198 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941301 163347929 CHEMBL2178198 ZINC34775653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220853 Cc1onc(c1C(=O)NC(N)=NCc1ccccc1)-c1ccccc1 InChI=1S/C19H18N4O2/c1-13-16(17(23-25-13)15-10-6-3-7-11-15)18(24)22-19(20)21-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H3,20,21,22,24) XSOBDHWBVJKUQV-UHFFFAOYSA-N 50398911 CHEMBL2178208 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451855 163347935 CHEMBL2178208 ZINC95578708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220854 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)c2ccccc2)c(Cl)c1 InChI=1S/C28H26ClN5O3S/c1-16-13-18(14-22(29)24(16)32-26(35)20-7-5-4-6-8-20)15-31-28(30)33-27(36)23-17(2)38-34-25(23)19-9-11-21(37-3)12-10-19/h4-14H,15H2,1-3H3,(H,32,35)(H3,30,31,33,36) DJNMPKFSHFXPHO-UHFFFAOYSA-N 50398879 CHEMBL2178184 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455397 163347903 CHEMBL2178184 ZINC95580210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220855 COc1ccc(cc1)-c1onc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O3/c1-11-17(18(29-26-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) ZBYXIMHCDQIMOK-UHFFFAOYSA-N 50398903 CHEMBL2178201 Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962922 163347927 CHEMBL2178201 ZINC95571622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220856 Cc1onc(c1C(=O)NC(N)=NCc1ccccc1)-c1ccc(F)cc1 InChI=1S/C19H17FN4O2/c1-12-16(17(24-26-12)14-7-9-15(20)10-8-14)18(25)23-19(21)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,21,22,23,25) NJEXHRUCZHWPTA-UHFFFAOYSA-N 50398910 CHEMBL2178209 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450033 163347934 CHEMBL2178209 ZINC95572739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220857 CCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C24H26ClN5O4/c1-5-19(31)28-21-13(2)10-15(11-18(21)25)12-27-24(26)29-23(32)20-14(3)34-30-22(20)16-6-8-17(33-4)9-7-16/h6-11H,5,12H2,1-4H3,(H,28,31)(H3,26,27,29,32) CSOJVPCWKCFAKG-UHFFFAOYSA-N 50398880 CHEMBL2178183 Beta-secretase 1 Homo sapiens 780 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453669 163347904 CHEMBL2178183 ZINC95578796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220858 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O3/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) DFAMLAZFSKMPLB-UHFFFAOYSA-N 50398886 CHEMBL2178200 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941302 163347910 CHEMBL2178200 ZINC34775655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220859 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CCSC)c(Cl)c1 InChI=1S/C25H28ClN5O4S/c1-14-11-16(12-19(26)22(14)29-20(32)9-10-36-4)13-28-25(27)30-24(33)21-15(2)35-31-23(21)17-5-7-18(34-3)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,29,32)(H3,27,28,30,33) QETXERJRYHVIOE-UHFFFAOYSA-N 50398877 CHEMBL2178186 Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451852 163347901 CHEMBL2178186 ZINC95573949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220861 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Br)c1 InChI=1S/C20H18BrClN4O3/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) IMQDACDHGPXXFU-UHFFFAOYSA-N 50398898 CHEMBL2178167 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962943 163347922 CHEMBL2178167 ZINC95576273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220862 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CSC)c(Cl)c1 InChI=1S/C23H23Cl2N5O4S/c1-12-19(20(30-34-12)14-4-6-15(33-2)7-5-14)22(32)29-23(26)27-10-13-8-16(24)21(17(25)9-13)28-18(31)11-35-3/h4-9H,10-11H2,1-3H3,(H,28,31)(H3,26,27,29,32) YZSRWTQQLXUGES-UHFFFAOYSA-N 50398878 CHEMBL2178185 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453670 163347902 CHEMBL2178185 ZINC95574625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220863 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1ccc2ccccc2c1 InChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)18-9-11-20(30-2)12-10-18)23(29)27-24(25)26-14-16-7-8-17-5-3-4-6-19(17)13-16/h3-13H,14H2,1-2H3,(H3,25,26,27,29) ZSZZXRCKMAWOKR-UHFFFAOYSA-N 50398899 CHEMBL2178166 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941305 163347923 CHEMBL2178166 ZINC34775660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220865 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CS(C)(=O)=O)c(Cl)c1 InChI=1S/C23H23Cl2N5O6S/c1-12-19(20(30-36-12)14-4-6-15(35-2)7-5-14)22(32)29-23(26)27-10-13-8-16(24)21(17(25)9-13)28-18(31)11-37(3,33)34/h4-9H,10-11H2,1-3H3,(H,28,31)(H3,26,27,29,32) KTCHVMAKPPIYNP-UHFFFAOYSA-N 50398876 CHEMBL2178187 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451853 163347900 CHEMBL2178187 ZINC95573272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220867 Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccc(F)cc1 InChI=1S/C23H19FN4O2/c1-14-20(21(28-30-14)16-9-11-18(24)12-10-16)22(29)27-23(25)26-13-17-7-4-6-15-5-2-3-8-19(15)17/h2-12H,13H2,1H3,(H3,25,26,27,29) VBTNJLBMOPJUGT-UHFFFAOYSA-N 50398913 CHEMBL2178207 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453672 163347937 CHEMBL2178207 ZINC95574523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220868 CCNCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)snc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C25H29ClN6O3S/c1-5-28-13-20(33)30-22-14(2)10-16(11-19(22)26)12-29-25(27)31-24(34)21-15(3)36-32-23(21)17-6-8-18(35-4)9-7-17/h6-11,28H,5,12-13H2,1-4H3,(H,30,33)(H3,27,29,31,34) CFOOPZRWMSOYBL-UHFFFAOYSA-N 50398865 CHEMBL2178163 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451851 163347889 CHEMBL2178163 ZINC95580324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220869 Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccccc1 InChI=1S/C23H20N4O2/c1-15-20(21(27-29-15)17-9-3-2-4-10-17)22(28)26-23(24)25-14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13H,14H2,1H3,(H3,24,25,26,28) NETUKBAWGVOSEV-UHFFFAOYSA-N 50398914 CHEMBL2178206 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941303 163347938 CHEMBL2178206 ZINC34775657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220871 CCNCC(=O)Nc1c(Cl)cc(CN=C(N)NC(=O)c2c(C)snc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C24H26Cl2N6O3S/c1-4-28-12-19(33)30-22-17(25)9-14(10-18(22)26)11-29-24(27)31-23(34)20-13(2)36-32-21(20)15-5-7-16(35-3)8-6-15/h5-10,28H,4,11-12H2,1-3H3,(H,30,33)(H3,27,29,31,34) BXIPBXZWXSYZNQ-UHFFFAOYSA-N 50398866 CHEMBL2178162 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450031 163347890 CHEMBL2178162 ZINC95574649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220872 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C26H29ClN6O3S/c1-15-11-17(12-20(27)23(15)30-21(34)14-33-9-4-10-33)13-29-26(28)31-25(35)22-16(2)37-32-24(22)18-5-7-19(36-3)8-6-18/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,30,34)(H3,28,29,31,35) MAZOCELXDHAJLH-UHFFFAOYSA-N 50398863 CHEMBL2178165 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24764598 163347887 CHEMBL2178165 ZINC95579073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220873 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C25H26Cl2N6O3S/c1-14-21(22(32-37-14)16-4-6-17(36-2)7-5-16)24(35)31-25(28)29-12-15-10-18(26)23(19(27)11-15)30-20(34)13-33-8-3-9-33/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,30,34)(H3,28,29,31,35) ONJQQUAGPQLJGS-UHFFFAOYSA-N 50398864 CHEMBL2178164 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450032 163347888 CHEMBL2178164 ZINC95577472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220874 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12 InChI=1S/C24H22N4O3/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29) ZKSDVGGMYURZGD-UHFFFAOYSA-N 50398912 CHEMBL2177116 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457173 163347936 CHEMBL2177116 ZINC95578798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220875 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)C2CC2)c(Cl)c1 InChI=1S/C25H26ClN5O4/c1-13-10-15(11-19(26)21(13)29-23(32)17-4-5-17)12-28-25(27)30-24(33)20-14(2)35-31-22(20)16-6-8-18(34-3)9-7-16/h6-11,17H,4-5,12H2,1-3H3,(H,29,32)(H3,27,28,30,33) VEWKAMQFMAYRIS-UHFFFAOYSA-N 50398874 CHEMBL2178189 Beta-secretase 1 Homo sapiens 330 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462548 163347898 CHEMBL2178189 ZINC95571828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220876 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(c1)-c1cccnc1 InChI=1S/C25H22ClN5O3/c1-15-22(23(31-34-15)17-5-7-21(33-2)8-6-17)24(32)30-25(27)29-13-16-10-19(12-20(26)11-16)18-4-3-9-28-14-18/h3-12,14H,13H2,1-2H3,(H3,27,29,30,32) JPMUQPOVJUOFEY-UHFFFAOYSA-N 50398895 CHEMBL2178170 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459036 163347919 CHEMBL2178170 ZINC95578752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220880 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O3/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) DFAMLAZFSKMPLB-UHFFFAOYSA-N 50398886 CHEMBL2178200 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941302 163347910 CHEMBL2178200 ZINC34775655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220881 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)C2CC2)c(Cl)c1 InChI=1S/C24H23Cl2N5O4/c1-12-19(20(31-35-12)14-5-7-16(34-2)8-6-14)23(33)30-24(27)28-11-13-9-17(25)21(18(26)10-13)29-22(32)15-3-4-15/h5-10,15H,3-4,11H2,1-2H3,(H,29,32)(H3,27,28,30,33) QDSFQXRCJWLPJD-UHFFFAOYSA-N 50398875 CHEMBL2178188 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460837 163347899 CHEMBL2178188 ZINC95573998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220882 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(c1)-c1ccsc1 InChI=1S/C24H21ClN4O3S/c1-14-21(22(29-32-14)16-3-5-20(31-2)6-4-16)23(30)28-24(26)27-12-15-9-18(11-19(25)10-15)17-7-8-33-13-17/h3-11,13H,12H2,1-2H3,(H3,26,27,28,30) UTTBFSIUUZDEJB-UHFFFAOYSA-N 50398896 CHEMBL2178169 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460835 163347920 CHEMBL2178169 ZINC95575930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220883 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C24H26Cl2N6O4/c1-13-20(21(31-36-13)15-5-7-16(35-4)8-6-15)23(34)30-24(27)28-11-14-9-17(25)22(18(26)10-14)29-19(33)12-32(2)3/h5-10H,11-12H2,1-4H3,(H,29,33)(H3,27,28,30,34) NJKMPHIKUZCXJS-UHFFFAOYSA-N 50398872 CHEMBL2178191 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58771867 163347896 CHEMBL2178191 ZINC95575278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220884 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(\C=C\CCO)c1 InChI=1S/C24H25ClN4O4/c1-15-21(22(29-33-15)18-6-8-20(32-2)9-7-18)23(31)28-24(26)27-14-17-11-16(5-3-4-10-30)12-19(25)13-17/h3,5-9,11-13,30H,4,10,14H2,1-2H3,(H3,26,27,28,31)/b5-3+ FHMCMYUUOIHQHV-HWKANZROSA-N 50398893 CHEMBL2178172 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460836 163347917 CHEMBL2178172 ZINC95575018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220885 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1 InChI=1S/C26H24ClN5O5/c1-14-11-16(12-19(27)22(14)30-24(33)20-5-4-10-36-20)13-29-26(28)31-25(34)21-15(2)37-32-23(21)17-6-8-18(35-3)9-7-17/h4-12H,13H2,1-3H3,(H,30,33)(H3,28,29,31,34) OTJYEIDSJZEFPN-UHFFFAOYSA-N 50398873 CHEMBL2178190 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453671 163347897 CHEMBL2178190 ZINC95576453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220886 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(C=C)c1 InChI=1S/C22H21ClN4O3/c1-4-14-9-15(11-17(23)10-14)12-25-22(24)26-21(28)19-13(2)30-27-20(19)16-5-7-18(29-3)8-6-16/h4-11H,1,12H2,2-3H3,(H3,24,25,26,28) FZDNIXHRSZJWSD-UHFFFAOYSA-N 50398894 CHEMBL2178171 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453667 163347918 CHEMBL2178171 ZINC95573400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220887 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 InChI=1S/C20H19Cl2N5O2S/c1-10-16(18(27-30-10)12-3-5-13(29-2)6-4-12)19(28)26-20(24)25-9-11-7-14(21)17(23)15(22)8-11/h3-8H,9,23H2,1-2H3,(H3,24,25,26,28) DPJQBOWFYJTIJB-UHFFFAOYSA-N 50398884 CHEMBL2178178 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962911 163347908 CHEMBL2178178 ZINC43151687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220888 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C24H26Cl2N6O3S/c1-13-20(21(31-36-13)15-5-7-16(35-4)8-6-15)23(34)30-24(27)28-11-14-9-17(25)22(18(26)10-14)29-19(33)12-32(2)3/h5-10H,11-12H2,1-4H3,(H,29,33)(H3,27,28,30,34) PLMSKSIJUKAJBL-UHFFFAOYSA-N 50398870 CHEMBL2178193 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16092132 163347894 CHEMBL2178193 ZINC59998860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220889 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C25H29ClN6O4/c1-14-10-16(11-19(26)22(14)29-20(33)13-32(3)4)12-28-25(27)30-24(34)21-15(2)36-31-23(21)17-6-8-18(35-5)9-7-17/h6-11H,12-13H2,1-5H3,(H,29,33)(H3,27,28,30,34) VEFVRPXDHUJVDN-UHFFFAOYSA-N 50398871 CHEMBL2178192 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457170 163347895 CHEMBL2178192 ZINC95571792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220890 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H21Cl2N5O3S/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31) LMPLDVJAORQVGC-UHFFFAOYSA-N 50398882 CHEMBL2178180 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962961 163347906 CHEMBL2178180 ZINC43151692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220891 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CNCc2ccccc2)c(Cl)c1 InChI=1S/C29H28Cl2N6O3S/c1-17-25(26(37-41-17)20-8-10-21(40-2)11-9-20)28(39)36-29(32)34-15-19-12-22(30)27(23(31)13-19)35-24(38)16-33-14-18-6-4-3-5-7-18/h3-13,33H,14-16H2,1-2H3,(H,35,38)(H3,32,34,36,39) BSBBRLXXCIAXFD-UHFFFAOYSA-N 50398868 CHEMBL2178195 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457172 163347892 CHEMBL2178195 ZINC95575084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220892 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)cc(C)c1 InChI=1S/C22H24N4O3/c1-13-9-14(2)11-16(10-13)12-24-22(23)25-21(27)19-15(3)29-26-20(19)17-5-7-18(28-4)8-6-17/h5-11H,12H2,1-4H3,(H3,23,24,25,27) FPLHCSCZSIXVMI-UHFFFAOYSA-N 50398897 CHEMBL2178168 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455395 163347921 CHEMBL2178168 ZINC95574996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220893 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C25H29ClN6O3S/c1-14-10-16(11-19(26)22(14)29-20(33)13-32(3)4)12-28-25(27)30-24(34)21-15(2)36-31-23(21)17-6-8-18(35-5)9-7-17/h6-11H,12-13H2,1-5H3,(H,29,33)(H3,27,28,30,34) GKFXBJKIIBJTQR-UHFFFAOYSA-N 50398869 CHEMBL2178194 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457171 163347893 CHEMBL2178194 ZINC95573953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220894 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C26H29ClN6O3S/c1-15-11-17(12-20(27)23(15)30-21(34)14-33-9-4-10-33)13-29-26(28)31-25(35)22-16(2)37-32-24(22)18-5-7-19(36-3)8-6-18/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,30,34)(H3,28,29,31,35) MAZOCELXDHAJLH-UHFFFAOYSA-N 50398863 CHEMBL2178165 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24764598 163347887 CHEMBL2178165 ZINC95579073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220895 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C25H26Cl2N6O3S/c1-14-21(22(32-37-14)16-4-6-17(36-2)7-5-16)24(35)31-25(28)29-12-15-10-18(26)23(19(27)11-15)30-20(34)13-33-8-3-9-33/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,30,34)(H3,28,29,31,35) ONJQQUAGPQLJGS-UHFFFAOYSA-N 50398864 CHEMBL2178164 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450032 163347888 CHEMBL2178164 ZINC95577472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220896 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 InChI=1S/C20H19Cl2N5O3/c1-10-16(18(27-30-10)12-3-5-13(29-2)6-4-12)19(28)26-20(24)25-9-11-7-14(21)17(23)15(22)8-11/h3-8H,9,23H2,1-2H3,(H3,24,25,26,28) BWYVOELEIVVZNC-UHFFFAOYSA-N 50398888 CHEMBL2178177 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941580 163347912 CHEMBL2178177 ZINC34776119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220897 COC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1 InChI=1S/C24H25ClN4O4/c1-15-21(22(29-33-15)18-6-8-20(32-3)9-7-18)23(30)28-24(26)27-14-17-11-16(5-4-10-31-2)12-19(25)13-17/h4-9,11-13H,10,14H2,1-3H3,(H3,26,27,28,30)/b5-4+ FEXVNFBCAHQKFG-SNAWJCMRSA-N 50398891 CHEMBL2178174 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58771881 163347915 CHEMBL2178174 ZINC95577019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220898 CCC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1 InChI=1S/C25H27ClN4O3/c1-4-5-6-7-17-12-18(14-20(26)13-17)15-28-25(27)29-24(31)22-16(2)33-30-23(22)19-8-10-21(32-3)11-9-19/h6-14H,4-5,15H2,1-3H3,(H3,27,28,29,31)/b7-6+ YWVFIVQUKZRYLO-VOTSOKGWSA-N 50398892 CHEMBL2178173 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453668 163347916 CHEMBL2178173 ZINC95575289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220899 CCCOc1c(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C23H24Cl2N4O4/c1-4-9-32-21-17(24)10-14(11-18(21)25)12-27-23(26)28-22(30)19-13(2)33-29-20(19)15-5-7-16(31-3)8-6-15/h5-8,10-11H,4,9,12H2,1-3H3,(H3,26,27,28,30) VJDZPEGKZDVQDE-UHFFFAOYSA-N 50398889 CHEMBL2178176 Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71459037 163347913 CHEMBL2178176 ZINC95576380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220900 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(O)c(Cl)c1 InChI=1S/C20H18Cl2N4O4/c1-10-16(17(26-30-10)12-3-5-13(29-2)6-4-12)19(28)25-20(23)24-9-11-7-14(21)18(27)15(22)8-11/h3-8,27H,9H2,1-2H3,(H3,23,24,25,28) IUTZBCHOYURBOO-UHFFFAOYSA-N 50398890 CHEMBL2178175 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941577 163347914 CHEMBL2178175 ZINC34776113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220901 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O3/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) DFAMLAZFSKMPLB-UHFFFAOYSA-N 50398886 CHEMBL2178200 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941302 163347910 CHEMBL2178200 ZINC34775655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220902 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(C)=O)c(Cl)c1 InChI=1S/C23H24ClN5O3S/c1-12-9-15(10-18(24)20(12)27-14(3)30)11-26-23(25)28-22(31)19-13(2)33-29-21(19)16-5-7-17(32-4)8-6-16/h5-10H,11H2,1-4H3,(H,27,30)(H3,25,26,28,31) MQPJKTGBSCCWTI-UHFFFAOYSA-N 50398881 CHEMBL2178181 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11983210 163347905 CHEMBL2178181 ZINC43151686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220903 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H21Cl2N5O3S/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31) LMPLDVJAORQVGC-UHFFFAOYSA-N 50398882 CHEMBL2178180 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962961 163347906 CHEMBL2178180 ZINC43151692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220904 CCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C24H26ClN5O4/c1-5-19(31)28-21-13(2)10-15(11-18(21)25)12-27-24(26)29-23(32)20-14(3)34-30-22(20)16-6-8-17(33-4)9-7-16/h6-11H,5,12H2,1-4H3,(H,28,31)(H3,26,27,29,32) CSOJVPCWKCFAKG-UHFFFAOYSA-N 50398880 CHEMBL2178183 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453669 163347904 CHEMBL2178183 ZINC95578796 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220905 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NS(C)(=O)=O)c(Cl)c1 InChI=1S/C21H21Cl2N5O4S2/c1-11-17(18(27-33-11)13-4-6-14(32-2)7-5-13)20(29)26-21(24)25-10-12-8-15(22)19(16(23)9-12)28-34(3,30)31/h4-9,28H,10H2,1-3H3,(H3,24,25,26,29) KUGXCHPMNPXDGL-UHFFFAOYSA-N 50398887 CHEMBL2178182 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457169 163347911 CHEMBL2178182 ZINC95576303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220906 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 InChI=1S/C20H18Cl2N4O2S/c1-11-17(18(26-29-11)13-3-5-16(28-2)6-4-13)19(27)25-20(23)24-10-12-7-14(21)9-15(22)8-12/h3-9H,10H2,1-2H3,(H3,23,24,25,27) UQXJFBGTDDXZDI-UHFFFAOYSA-N 50398885 CHEMBL2178204 Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15941304 163347909 CHEMBL2178204 ZINC34775658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220907 CCNCC(=O)Nc1c(Cl)cc(CN=C(N)NC(=O)c2c(C)snc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C24H26Cl2N6O3S/c1-4-28-12-19(33)30-22-17(25)9-14(10-18(22)26)11-29-24(27)31-23(34)20-13(2)36-32-21(20)15-5-7-16(35-3)8-6-15/h5-10,28H,4,11-12H2,1-3H3,(H,30,33)(H3,27,29,31,34) BXIPBXZWXSYZNQ-UHFFFAOYSA-N 50398866 CHEMBL2178162 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450031 163347890 CHEMBL2178162 ZINC95574649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220908 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H21Cl2N5O4/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31) RVCUSTQTVJCVFB-UHFFFAOYSA-N 50398883 CHEMBL2178179 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455396 163347907 CHEMBL2178179 ZINC95573351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220909 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CNCc2ccccc2)c(Cl)c1 InChI=1S/C30H31ClN6O3S/c1-18-13-21(14-24(31)27(18)35-25(38)17-33-15-20-7-5-4-6-8-20)16-34-30(32)36-29(39)26-19(2)41-37-28(26)22-9-11-23(40-3)12-10-22/h4-14,33H,15-17H2,1-3H3,(H,35,38)(H3,32,34,36,39) GGMRHOZXCIWUMQ-UHFFFAOYSA-N 50398867 CHEMBL2178161 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457168 163347891 CHEMBL2178161 ZINC95574599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220910 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 InChI=1S/C20H19Cl2N5O2S/c1-10-16(18(27-30-10)12-3-5-13(29-2)6-4-12)19(28)26-20(24)25-9-11-7-14(21)17(23)15(22)8-11/h3-8H,9,23H2,1-2H3,(H3,24,25,26,28) DPJQBOWFYJTIJB-UHFFFAOYSA-N 50398884 CHEMBL2178178 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58962911 163347908 CHEMBL2178178 ZINC43151687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220911 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C25H26Cl2N6O3S/c1-14-21(22(32-37-14)16-4-6-17(36-2)7-5-16)24(35)31-25(28)29-12-15-10-18(26)23(19(27)11-15)30-20(34)13-33-8-3-9-33/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,30,34)(H3,28,29,31,35) ONJQQUAGPQLJGS-UHFFFAOYSA-N 50398864 CHEMBL2178164 Beta-secretase 1 Homo sapiens 8 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71450032 163347888 CHEMBL2178164 ZINC95577472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220912 CCNCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)snc2-c2ccc(OC)cc2)cc1Cl InChI=1S/C25H29ClN6O3S/c1-5-28-13-20(33)30-22-14(2)10-16(11-19(22)26)12-29-25(27)31-24(34)21-15(3)36-32-23(21)17-6-8-18(35-4)9-7-17/h6-11,28H,5,12-13H2,1-4H3,(H,30,33)(H3,27,29,31,34) CFOOPZRWMSOYBL-UHFFFAOYSA-N 50398865 CHEMBL2178163 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451851 163347889 CHEMBL2178163 ZINC95580324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220913 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN2CCC2)c(Cl)c1 InChI=1S/C26H29ClN6O3S/c1-15-11-17(12-20(27)23(15)30-21(34)14-33-9-4-10-33)13-29-26(28)31-25(35)22-16(2)37-32-24(22)18-5-7-19(36-3)8-6-18/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,30,34)(H3,28,29,31,35) MAZOCELXDHAJLH-UHFFFAOYSA-N 50398863 CHEMBL2178165 Beta-secretase 1 Homo sapiens 5 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24764598 163347887 CHEMBL2178165 ZINC95579073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220914 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CSC)c(Cl)c1 InChI=1S/C23H23Cl2N5O4S/c1-12-19(20(30-34-12)14-4-6-15(33-2)7-5-14)22(32)29-23(26)27-10-13-8-16(24)21(17(25)9-13)28-18(31)11-35-3/h4-9H,10-11H2,1-3H3,(H,28,31)(H3,26,27,29,32) YZSRWTQQLXUGES-UHFFFAOYSA-N 50398878 CHEMBL2178185 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453670 163347902 CHEMBL2178185 ZINC95574625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220915 COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)c2ccccc2)c(Cl)c1 InChI=1S/C28H26ClN5O3S/c1-16-13-18(14-22(29)24(16)32-26(35)20-7-5-4-6-8-20)15-31-28(30)33-27(36)23-17(2)38-34-25(23)19-9-11-21(37-3)12-10-19/h4-14H,15H2,1-3H3,(H,32,35)(H3,30,31,33,36) DJNMPKFSHFXPHO-UHFFFAOYSA-N 50398879 CHEMBL2178184 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455397 163347903 CHEMBL2178184 ZINC95580210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220916 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CS(C)(=O)=O)c(Cl)c1 InChI=1S/C23H23Cl2N5O6S/c1-12-19(20(30-36-12)14-4-6-15(35-2)7-5-14)22(32)29-23(26)27-10-13-8-16(24)21(17(25)9-13)28-18(31)11-37(3,33)34/h4-9H,10-11H2,1-3H3,(H,28,31)(H3,26,27,29,32) KTCHVMAKPPIYNP-UHFFFAOYSA-N 50398876 CHEMBL2178187 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451853 163347900 CHEMBL2178187 ZINC95573272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220917 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CCSC)c(Cl)c1 InChI=1S/C25H28ClN5O4S/c1-14-11-16(12-19(26)22(14)29-20(32)9-10-36-4)13-28-25(27)30-24(33)21-15(2)35-31-23(21)17-5-7-18(34-3)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,29,32)(H3,27,28,30,33) QETXERJRYHVIOE-UHFFFAOYSA-N 50398877 CHEMBL2178186 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71451852 163347901 CHEMBL2178186 ZINC95573949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220918 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1ccccc1 InChI=1S/C20H20N4O3/c1-13-17(18(24-27-13)15-8-10-16(26-2)11-9-15)19(25)23-20(21)22-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H3,21,22,23,25) PTAYSGKMHQTIBK-UHFFFAOYSA-N 50398909 CHEMBL2178751 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71462580 163347933 CHEMBL2178751 ZINC95572344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50220919 COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C25H29ClN6O4/c1-14-10-16(11-19(26)22(14)29-20(33)13-32(3)4)12-28-25(27)30-24(34)21-15(2)36-31-23(21)17-6-8-18(35-5)9-7-17/h6-11H,12-13H2,1-5H3,(H,29,33)(H3,27,28,30,34) VEFVRPXDHUJVDN-UHFFFAOYSA-N 50398871 CHEMBL2178192 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1021/jm300931y 10.7270/Q20G3M8M 23030502 Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Bristol-Myers Squibb Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457170 163347895 CHEMBL2178192 ZINC95571792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223074 COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1 RECVUKARQVUVBY-DEOSSOPVSA-N 50419860 CHEMBL1957471 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394835 163368884 CHEMBL1957471 ZINC73294935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223077 NC1=NC(C2=NCC(F)(F)CN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H17F2N7/c22-20(23)11-28-18-21(16-4-6-25-7-5-16,29-19(24)30(18)12-20)17-3-1-2-14(8-17)15-9-26-13-27-10-15/h1-10,13H,11-12H2,(H2,24,29) SBEZWYLMOCADFN-UHFFFAOYSA-N 50419868 CHEMBL1957472 Beta-secretase 1 Homo sapiens 1202 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24871744 163368892 CHEMBL1957472 ZINC73294940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223078 COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1 RECVUKARQVUVBY-DEOSSOPVSA-N 50419860 CHEMBL1957471 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394835 163368884 CHEMBL1957471 ZINC73294935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223079 COc1cccc(-c2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccncc2)c1F InChI=1S/C24H22FN5O/c1-31-20-8-3-7-19(21(20)25)16-5-2-6-18(15-16)24(17-9-12-27-13-10-17)22-28-11-4-14-30(22)23(26)29-24/h2-3,5-10,12-13,15H,4,11,14H2,1H3,(H2,26,29) QPJHVYYOFCYPRT-UHFFFAOYSA-N 50419866 CHEMBL1957468 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24989869 163368890 CHEMBL1957468 ZINC73312492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223080 COc1ccc(F)c(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccncc1 InChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31) WBBGIHPOPYLPCW-UHFFFAOYSA-N 50419869 CHEMBL1957477 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24873277 163368893 CHEMBL1957477 ZINC73313112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223081 NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F InChI=1S/C24H18F5N5O/c25-19-18(5-2-10-31-19)14-3-1-4-16(11-14)24(15-6-8-17(9-7-15)35-21(26)27)20-32-12-23(28,29)13-34(20)22(30)33-24/h1-11,21H,12-13H2,(H2,30,33) BIXBSTCQPHUSBY-UHFFFAOYSA-N 50419864 CHEMBL1957476 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394836 163368888 CHEMBL1957476 ZINC73313109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223082 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 InChI=1S/C25H21F4N5O2/c1-35-20-10-16(11-31-12-20)15-3-2-4-18(9-15)25(17-5-7-19(8-6-17)36-22(26)27)21-32-13-24(28,29)14-34(21)23(30)33-25/h2-12,22H,13-14H2,1H3,(H2,30,33) GIMSIOKOSRIQLD-UHFFFAOYSA-N 50419863 CHEMBL1957475 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57396606 163368887 CHEMBL1957475 ZINC73313105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223083 NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32) MNFPPKGDMSWYSF-UHFFFAOYSA-N 50419862 CHEMBL1957474 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57400036 163368886 CHEMBL1957474 ZINC73294947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223084 COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H20F2N6O/c1-32-19-7-5-17(6-8-19)23(20-29-12-22(24,25)13-31(20)21(26)30-23)18-4-2-3-15(9-18)16-10-27-14-28-11-16/h2-11,14H,12-13H2,1H3,(H2,26,30) VTIOIFVOIUBNKP-UHFFFAOYSA-N 50419861 CHEMBL1957473 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419861&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24873157 163368885 CHEMBL1957473 ZINC73294944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223085 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28) LSPPQVUEXNMTCS-UHFFFAOYSA-N 50300721 8-(4-methoxyphenyl)-8-(3-(pyrimidin-5-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine::CHEMBL582828 Beta-secretase 1 Homo sapiens 91 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11711024 104155082 CHEMBL582828 ZINC34635822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223086 NC1=NC(C2=NCC(F)(F)CN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H17F2N7/c22-20(23)11-28-18-21(16-4-6-25-7-5-16,29-19(24)30(18)12-20)17-3-1-2-14(8-17)15-9-26-13-27-10-15/h1-10,13H,11-12H2,(H2,24,29) SBEZWYLMOCADFN-UHFFFAOYSA-N 50419868 CHEMBL1957472 Beta-secretase 1 Homo sapiens 107 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24871744 163368892 CHEMBL1957472 ZINC73294940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50223087 COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1 RECVUKARQVUVBY-DEOSSOPVSA-N 50419860 CHEMBL1957471 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2012.01.079 10.7270/Q2Z60Q93 22325942 Swahn, BM; Holenz, J; Kihlstrom, J; Kolmodin, K; Lindstrom, J; Plobeck, N; Rotticci, D; Sehgelmeble, F; Sundstrom, M; Berg, Sv; Falting, J; Georgievska, B; Gustavsson, S; Neelissen, J; Ek, M; Olsson, LL; Berg, S AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50419860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50419860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57394835 163368884 CHEMBL1957471 ZINC73294935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217527 Cc1ccc(OCC(=O)N[C@@H]2[C@@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 InChI=1S/C28H27N3O5/c1-17-3-8-22(9-4-17)35-15-27(34)31-28-23-13-21(7-6-20(23)12-24(28)32)30-26(33)16-36-25-10-5-19(14-29)11-18(25)2/h3-11,13,24,28,32H,12,15-16H2,1-2H3,(H,30,33)(H,31,34)/t24-,28-/m0/s1 VQAUQHDJYGYTGF-CUBQBAPOSA-N 50388191 CHEMBL2058777 Beta-secretase 1 Homo sapiens 142 ChEMBL 10.1021/jm201649s 10.7270/Q23R0TX5 22409666 Lee, JA; Uhlik, MT; Moxham, CM; Tomandl, D; Sall, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66549618 160867274 CHEMBL2058777 ZINC84728386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217528 Cc1ccc(OCC(=O)N[C@@H]2[C@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 InChI=1S/C28H27N3O5/c1-17-3-8-22(9-4-17)35-15-27(34)31-28-23-13-21(7-6-20(23)12-24(28)32)30-26(33)16-36-25-10-5-19(14-29)11-18(25)2/h3-11,13,24,28,32H,12,15-16H2,1-2H3,(H,30,33)(H,31,34)/t24-,28+/m1/s1 VQAUQHDJYGYTGF-YWEHKCAJSA-N 50388192 CHEMBL2058778 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm201649s 10.7270/Q23R0TX5 22409666 Lee, JA; Uhlik, MT; Moxham, CM; Tomandl, D; Sall, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688498 160867275 CHEMBL2058778 ZINC84728391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217529 Cc1ccc(OCC(=O)N[C@H]2[C@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 InChI=1S/C28H27N3O5/c1-17-3-8-22(9-4-17)35-15-27(34)31-28-23-13-21(7-6-20(23)12-24(28)32)30-26(33)16-36-25-10-5-19(14-29)11-18(25)2/h3-11,13,24,28,32H,12,15-16H2,1-2H3,(H,30,33)(H,31,34)/t24-,28-/m1/s1 VQAUQHDJYGYTGF-UFHPHHKVSA-N 50388193 CHEMBL2058779 Beta-secretase 1 Homo sapiens 13600 ChEMBL 10.1021/jm201649s 10.7270/Q23R0TX5 22409666 Lee, JA; Uhlik, MT; Moxham, CM; Tomandl, D; Sall, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696795 160867276 CHEMBL2058779 ZINC84688855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217530 Cc1ccc(OCC(=O)N[C@H]2[C@@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 InChI=1S/C28H27N3O5/c1-17-3-8-22(9-4-17)35-15-27(34)31-28-23-13-21(7-6-20(23)12-24(28)32)30-26(33)16-36-25-10-5-19(14-29)11-18(25)2/h3-11,13,24,28,32H,12,15-16H2,1-2H3,(H,30,33)(H,31,34)/t24-,28+/m0/s1 VQAUQHDJYGYTGF-RBJSKKJNSA-N 50388194 CHEMBL2058780 Beta-secretase 1 Homo sapiens 45600 ChEMBL 10.1021/jm201649s 10.7270/Q23R0TX5 22409666 Lee, JA; Uhlik, MT; Moxham, CM; Tomandl, D; Sall, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696796 160867277 CHEMBL2058780 ZINC84688570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217531 CCc1ccccc1SCC(O)Cn1c(cc2ccccc12)-c1ccccc1 InChI=1S/C25H25NOS/c1-2-19-10-7-9-15-25(19)28-18-22(27)17-26-23-14-8-6-13-21(23)16-24(26)20-11-4-3-5-12-20/h3-16,22,27H,2,17-18H2,1H3 APXUEAJLCFPGBO-UHFFFAOYSA-N 50388770 CHEMBL2059611 Beta-secretase 1 Homo sapiens 10300 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690595 160867853 CHEMBL2059611 ZINC84688499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217532 OC(CSc1ccc2ccccc2c1)Cn1c(cc2ccccc12)-c1ccccc1 InChI=1S/C27H23NOS/c29-24(19-30-25-15-14-20-8-4-5-11-22(20)16-25)18-28-26-13-7-6-12-23(26)17-27(28)21-9-2-1-3-10-21/h1-17,24,29H,18-19H2 QTYANEFQZLWTSR-UHFFFAOYSA-N 50388747 CHEMBL2059613 Beta-secretase 1 Homo sapiens 6660 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70682176 160867830 CHEMBL2059613 ZINC84688924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217533 OC(CSc1ccccc1F)Cn1c2ccccc2c2ccccc12 InChI=1S/C21H18FNOS/c22-18-9-3-6-12-21(18)25-14-15(24)13-23-19-10-4-1-7-16(19)17-8-2-5-11-20(17)23/h1-12,15,24H,13-14H2 JJTPYFCWWWQZEP-UHFFFAOYSA-N 50388766 CHEMBL2059596 Beta-secretase 1 Homo sapiens 5360 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686436 160867849 CHEMBL2059596 ZINC84705073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217534 OC(Cn1c2ccccc2c2ccccc12)C(O)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H24N2O2/c31-27(17-29-23-13-5-1-9-19(23)20-10-2-6-14-24(20)29)28(32)18-30-25-15-7-3-11-21(25)22-12-4-8-16-26(22)30/h1-16,27-28,31-32H,17-18H2 JFZFGPGRUNJFHN-UHFFFAOYSA-N 50388761 CHEMBL2059104 Beta-secretase 1 Homo sapiens 8820 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688511 160867844 CHEMBL2059104 ZINC84689945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217535 OC(CCn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H24N2O/c31-20(19-30-27-15-7-3-11-23(27)24-12-4-8-16-28(24)30)17-18-29-25-13-5-1-9-21(25)22-10-2-6-14-26(22)29/h1-16,20,31H,17-19H2 CDMWFSVDIMSKDS-UHFFFAOYSA-N 50388760 CHEMBL2059103 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70692714 160867843 CHEMBL2059103 ZINC84689942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217536 OC(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1 InChI=1S/C23H20OS2/c24-21(15-25-22-11-9-17-5-1-3-7-19(17)13-22)16-26-23-12-10-18-6-2-4-8-20(18)14-23/h1-14,21,24H,15-16H2 QWTWBMRYTDIFDV-UHFFFAOYSA-N 50388759 CHEMBL2059102 Beta-secretase 1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684265 160867842 CHEMBL2059102 ZINC84689755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217537 O[C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H21NOS/c27-20(17-28-21-14-13-18-7-1-2-8-19(18)15-21)16-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-15,20,27H,16-17H2/t20-/m1/s1 OSBFCTILGXDPKQ-HXUWFJFHSA-N 50388751 CHEMBL2058869 Beta-secretase 1 Homo sapiens 7980 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690563 160867834 CHEMBL2058869 ZINC84687869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217538 CCc1cccc2ccn(CC(O)CSc3ccccc3Cl)c12 InChI=1S/C19H20ClNOS/c1-2-14-6-5-7-15-10-11-21(19(14)15)12-16(22)13-23-18-9-4-3-8-17(18)20/h3-11,16,22H,2,12-13H2,1H3 UUHMAMHYWPIJTN-UHFFFAOYSA-N 50388745 CHEMBL2059330 Beta-secretase 1 Homo sapiens 7520 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694765 160867828 CHEMBL2059330 ZINC84704951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217539 OC(CSc1ccccc1F)Cn1c2CCCCc2c2ccccc12 InChI=1S/C21H22FNOS/c22-18-9-3-6-12-21(18)25-14-15(24)13-23-19-10-4-1-7-16(19)17-8-2-5-11-20(17)23/h1,3-4,6-7,9-10,12,15,24H,2,5,8,11,13-14H2 BQXTVXKBKBWXGX-UHFFFAOYSA-N 50388764 CHEMBL2059592 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690591 160867847 CHEMBL2059592 ZINC84690119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217540 O[C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H21NOS/c27-20(17-28-21-14-13-18-7-1-2-8-19(18)15-21)16-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-15,20,27H,16-17H2/t20-/m0/s1 OSBFCTILGXDPKQ-FQEVSTJZSA-N 50388750 CHEMBL2058868 Beta-secretase 1 Homo sapiens 5390 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696798 160867833 CHEMBL2058868 ZINC84687870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217541 OC(CSc1ccccc1Cl)Cn1c2CCCCc2c2ccccc12 InChI=1S/C21H22ClNOS/c22-18-9-3-6-12-21(18)25-14-15(24)13-23-19-10-4-1-7-16(19)17-8-2-5-11-20(17)23/h1,3-4,6-7,9-10,12,15,24H,2,5,8,11,13-14H2 ANSZCQRIRIGXEN-UHFFFAOYSA-N 50388744 CHEMBL2059593 Beta-secretase 1 Homo sapiens 8280 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690592 160867827 CHEMBL2059593 ZINC84729735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217542 C(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H21NS/c1-2-9-20-18-21(15-14-19(20)8-1)27-17-7-16-26-24-12-5-3-10-22(24)23-11-4-6-13-25(23)26/h1-6,8-15,18H,7,16-17H2 RRPUVDBFPNKEPB-UHFFFAOYSA-N 50388749 CHEMBL2058867 Beta-secretase 1 Homo sapiens 7520 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688505 160867832 CHEMBL2058867 ZINC84707613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217543 COc1ccc(SCC(O)Cn2c3CCCCc3c3ccccc23)cc1 InChI=1S/C22H25NO2S/c1-25-17-10-12-18(13-11-17)26-15-16(24)14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2,4,6,8,10-13,16,24H,3,5,7,9,14-15H2,1H3 KJAFJYBODAUFPQ-UHFFFAOYSA-N 50388765 CHEMBL2059594 Beta-secretase 1 Homo sapiens 15200 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686435 160867848 CHEMBL2059594 ZINC84705067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217544 Cc1ccccc1SCC(O)Cn1c2CCCc2c2ccccc12 InChI=1S/C21H23NOS/c1-15-7-2-5-12-21(15)24-14-16(23)13-22-19-10-4-3-8-17(19)18-9-6-11-20(18)22/h2-5,7-8,10,12,16,23H,6,9,11,13-14H2,1H3 BDFKXRSCQTWQKS-UHFFFAOYSA-N 50388763 CHEMBL2059453 Beta-secretase 1 Homo sapiens 21400 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684278 160867846 CHEMBL2059453 ZINC84708830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217545 OC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H22N2O/c30-19(17-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28)18-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29/h1-16,19,30H,17-18H2 UXQNXMYBZRBGRN-UHFFFAOYSA-N 50388758 CHEMBL2059101 Beta-secretase 1 Homo sapiens 710 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1898613 160867841 CHEMBL2059101 ZINC02273012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217546 OC(CSc1ccc2ccccc2c1)C(O)Cn1c2ccccc2c2ccccc12 InChI=1S/C26H23NO2S/c28-25(26(29)17-30-20-14-13-18-7-1-2-8-19(18)15-20)16-27-23-11-5-3-9-21(23)22-10-4-6-12-24(22)27/h1-15,25-26,28-29H,16-17H2 RIYSVVFJTIFQHK-UHFFFAOYSA-N 50388757 CHEMBL2059100 Beta-secretase 1 Homo sapiens 10100 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696804 160867840 CHEMBL2059100 ZINC84690385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217547 OC(CSc1ccc2ccccc2c1)Cn1ccc2ccccc12 InChI=1S/C21H19NOS/c23-19(14-22-12-11-17-6-3-4-8-21(17)22)15-24-20-10-9-16-5-1-2-7-18(16)13-20/h1-13,19,23H,14-15H2 GLDXOCWHGGKCRK-UHFFFAOYSA-N 50388762 CHEMBL2059329 Beta-secretase 1 Homo sapiens 10500 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684273 160867845 CHEMBL2059329 ZINC84703714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217548 OC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H21NOS/c27-20(17-28-21-14-13-18-7-1-2-8-19(18)15-21)16-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-15,20,27H,16-17H2 OSBFCTILGXDPKQ-UHFFFAOYSA-N 50388746 CHEMBL2059601 Beta-secretase 1 Homo sapiens 4930 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56944167 160867829 CHEMBL2059601 ZINC84687870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217549 OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1Cl InChI=1S/C22H21ClO2S/c23-21-8-4-5-9-22(21)26-16-19(24)15-25-20-12-10-18(11-13-20)14-17-6-2-1-3-7-17/h1-13,19,24H,14-16H2 AQHOTHAHFTXYGX-UHFFFAOYSA-N 50388748 CHEMBL2059624 Beta-secretase 1 Homo sapiens 9600 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684290 160867831 CHEMBL2059624 ZINC84713829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217550 Nc1cccc(SCC(O)Cn2c3ccccc3c3ccccc23)c1 InChI=1S/C21H20N2OS/c22-15-6-5-7-17(12-15)25-14-16(24)13-23-20-10-3-1-8-18(20)19-9-2-4-11-21(19)23/h1-12,16,24H,13-14,22H2 MTKRLQYTKGRBNG-UHFFFAOYSA-N 50388767 CHEMBL2059597 Beta-secretase 1 Homo sapiens 36100 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70682174 160867850 CHEMBL2059597 ZINC84672202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217551 OC(CCSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C26H23NOS/c28-21(15-16-29-22-14-13-19-7-1-2-8-20(19)17-22)18-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-14,17,21,28H,15-16,18H2 OGXWLBYXCSAWMN-UHFFFAOYSA-N 50388756 CHEMBL2058875 Beta-secretase 1 Homo sapiens 6740 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70684257 160867839 CHEMBL2058875 ZINC84688900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217552 OC(CCn1c2ccccc2c2ccccc12)CSc1ccc2ccccc2c1 InChI=1S/C26H23NOS/c28-21(18-29-22-14-13-19-7-1-2-8-20(19)17-22)15-16-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-14,17,21,28H,15-16,18H2 DIRICBCOIIFTFK-UHFFFAOYSA-N 50388743 CHEMBL2058874 Beta-secretase 1 Homo sapiens 4310 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690565 160867826 CHEMBL2058874 ZINC84688896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217553 OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccc(O)cc1 InChI=1S/C22H22O3S/c23-19-8-12-22(13-9-19)26-16-20(24)15-25-21-10-6-18(7-11-21)14-17-4-2-1-3-5-17/h1-13,20,23-24H,14-16H2 HCKWAIZMUDPQAL-UHFFFAOYSA-N 50388771 CHEMBL2059626 Beta-secretase 1 Homo sapiens 10700 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694784 160867854 CHEMBL2059626 ZINC84729895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217554 OC(CSc1ccc(O)cc1)Cn1c(cc2ccccc12)-c1ccccc1 InChI=1S/C23H21NO2S/c25-19-10-12-21(13-11-19)27-16-20(26)15-24-22-9-5-4-8-18(22)14-23(24)17-6-2-1-3-7-17/h1-14,20,25-26H,15-16H2 ZPSGFIIKABXHEB-UHFFFAOYSA-N 50388768 CHEMBL2059605 Beta-secretase 1 Homo sapiens 13600 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686438 160867851 CHEMBL2059605 ZINC84687876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217555 OC(CSc1ccccc1O)Cn1c(cc2ccccc12)-c1ccccc1 InChI=1S/C23H21NO2S/c25-19(16-27-23-13-7-6-12-22(23)26)15-24-20-11-5-4-10-18(20)14-21(24)17-8-2-1-3-9-17/h1-14,19,25-26H,15-16H2 XDVUBYHAVAGMCN-UHFFFAOYSA-N 50388769 CHEMBL2059606 Beta-secretase 1 Homo sapiens 25400 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70688538 160867852 CHEMBL2059606 ZINC84687878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217556 C(Sc1ccc2ccccc2c1)C(Cn1c2ccccc2c2ccccc12)N1CCNCC1 InChI=1S/C29H29N3S/c1-2-8-23-19-25(14-13-22(23)7-1)33-21-24(31-17-15-30-16-18-31)20-32-28-11-5-3-9-26(28)27-10-4-6-12-29(27)32/h1-14,19,24,30H,15-18,20-21H2 VCEVWSZOQPFRAD-UHFFFAOYSA-N 50388755 CHEMBL2058873 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70690564 160867838 CHEMBL2058873 ZINC84688892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217557 NCCNC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H27N3S/c28-15-16-29-22(19-31-23-14-13-20-7-1-2-8-21(20)17-23)18-30-26-11-5-3-9-24(26)25-10-4-6-12-27(25)30/h1-14,17,22,29H,15-16,18-19,28H2 GGZZZDGZFLLSDQ-UHFFFAOYSA-N 50388754 CHEMBL2058872 Beta-secretase 1 Homo sapiens 7380 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70686411 160867837 CHEMBL2058872 ZINC84688887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217558 NC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H22N2S/c26-20(17-28-21-14-13-18-7-1-2-8-19(18)15-21)16-27-24-11-5-3-9-22(24)23-10-4-6-12-25(23)27/h1-15,20H,16-17,26H2 NZYJSDIODHEZGA-UHFFFAOYSA-N 50388753 CHEMBL2058871 Beta-secretase 1 Homo sapiens 15700 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70694755 160867836 CHEMBL2058871 ZINC84688882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50217559 O=C(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 InChI=1S/C25H19NOS/c27-20(17-28-21-14-13-18-7-1-2-8-19(18)15-21)16-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-15H,16-17H2 PZRNDEPCXHGKJG-UHFFFAOYSA-N 50388752 CHEMBL2058870 Beta-secretase 1 Homo sapiens >80000 ChEMBL 10.1016/j.bmcl.2012.05.072 10.7270/Q2C53MXF 22727644 Kumar, AB; Anderson, JM; Melendez, AL; Manetsch, R University of South Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70696799 160867835 CHEMBL2058870 ZINC84688872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253334 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccncc2)C1=O InChI=1S/C25H37N5O2/c1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20/h11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31)/t19-,21+,25+/m0/s1 NAGJGYNUXJYJOV-PIBDYAPNSA-N 50036571 CHEMBL3354253 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3KU 4R92 11582999 313066944 CHEMBL3354253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253335 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1 YTRNAEJRTKMZME-NIRIFSCTSA-N 50036577 CHEMBL3354251 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57844562 313066947 CHEMBL3354251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253336 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccccc2)C1=O InChI=1S/C26H38N4O2/c1-30-24(32)26(29-25(30)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)28-23(31)21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,29)(H,28,31)/t20-,22+,26+/m0/s1 CVFJREHWBIUNGJ-UNIVCBNLSA-N 50036576 CHEMBL3354252 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262483 313066946 CHEMBL3354252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253337 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NCC2CC2)C1=O InChI=1S/C23H40N4O/c1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18/h17-20,25H,2-16H2,1H3,(H2,24,26)/t19-,20+,23+/m0/s1 MMXGMMYXXGSCHN-MIZPHKNDSA-N 50036575 CHEMBL3354249 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57843652 103944281 CHEMBL3354249 ZINC18437613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253340 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCC2)C1=O InChI=1S/C24H42N4O/c1-28-22(29)24(27-23(28)25,15-14-18-8-3-2-4-9-18)17-19-10-7-13-21(16-19)26-20-11-5-6-12-20/h18-21,26H,2-17H2,1H3,(H2,25,27)/t19-,21+,24+/m0/s1 NOZCXTAZEGFFAQ-XZDHIHRUSA-N 50036574 CHEMBL3354250 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3KT 4R91 57844200 313066945 CHEMBL3354250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253346 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCN(C2)C(=O)CC2CCCC2)C1=O InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1 ZROUWOKUKKGJPH-HYBUGGRVSA-N 50036581 CHEMBL3354247 Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3KO 4R8Y 118720056 313066951 CHEMBL3354247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253348 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCN(C2)C(=O)CC2CCCC2)C1=O InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24+/m0/s1 ZROUWOKUKKGJPH-GBXCKJPGSA-N 50036580 CHEMBL3354248 Beta-secretase 1 Homo sapiens 37000 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720057 313066950 CHEMBL3354248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253350 CCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1 MNXDSLVDLSSUGR-XMSQKQJNSA-N 50036579 CHEMBL3354245 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720054 313066949 CHEMBL3354245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253351 CCCCC(=O)N1CC[C@@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22+/m0/s1 MNXDSLVDLSSUGR-PGRDOPGGSA-N 50036578 CHEMBL3354246 Beta-secretase 1 Homo sapiens 17400 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720055 313066948 CHEMBL3354246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253353 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCN(C2)C(=O)CC2CCCC2)C1=O InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25+/m0/s1 UUQZJEIUVHUPML-SQJMNOBHSA-N 50036608 CHEMBL3354244 Beta-secretase 1 Homo sapiens 12400 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720053 313066972 CHEMBL3354244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253354 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 HAYVUYMTLMAYFA-WMEWVQGBSA-N 50036600 CHEMBL3354262 Beta-secretase 1 Homo sapiens 258 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720058 313066966 CHEMBL3354262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253358 CCCCC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23-/m1/s1 WHBVQJZRIGLEOT-AUSIDOKSSA-N 50036584 CHEMBL3353637 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719670 313066954 CHEMBL3353637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253362 CCCCS(=O)(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C22H40N4O3S/c1-3-4-15-30(28,29)26-14-8-11-19(17-26)16-22(20(27)25(2)21(23)24-22)13-12-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,23,24)/t19-,22-/m1/s1 ZHKOWSNDDCOBHT-DENIHFKCSA-N 50036585 CHEMBL3353636 Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719669 313066955 CHEMBL3353636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253368 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 HAYVUYMTLMAYFA-WMEWVQGBSA-N 50036600 CHEMBL3354262 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720058 313066966 CHEMBL3354262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253432 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2cnc3ccccc3n2)C1=O InChI=1S/C28H39N7O2/c1-35-25(36)28(34-26(35)29,15-14-19-8-3-2-4-9-19)17-20-10-7-11-21(16-20)31-27(37)33-24-18-30-22-12-5-6-13-23(22)32-24/h5-6,12-13,18-21H,2-4,7-11,14-17H2,1H3,(H2,29,34)(H2,31,32,33,37)/t20-,21+,28+/m0/s1 BSTJKDBFPPBIRR-BALWLHIASA-N 50036597 CHEMBL3354263 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720059 313066964 CHEMBL3354263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253441 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(cc2)C#N)C1=O InChI=1S/C27H38N6O2/c1-33-24(34)27(32-25(33)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)31-26(35)30-22-12-10-20(18-28)11-13-22/h10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,32)(H2,30,31,35)/t21-,23+,27+/m0/s1 MTAOBKNJXVKHMS-VBANMALSSA-N 50036596 CHEMBL3354260 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262353 313066963 CHEMBL3354260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253448 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)NC2CCCCC2)C1=O InChI=1S/C26H45N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h19-22H,2-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 BSDSUVPKEWMCGR-UNIVCBNLSA-N 50036594 CHEMBL3354261 Beta-secretase 1 Homo sapiens 138 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59388200 312528639 CHEMBL3354261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253451 COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,16-15-19-9-4-3-5-10-19)18-20-11-8-12-21(17-20)29-26(34)30-22-13-6-7-14-23(22)35-2/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,21+,27+/m0/s1 CUVFRIUJTDJOBI-FYQCMVGJSA-N 50036607 CHEMBL3354258 Beta-secretase 1 Homo sapiens 276 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262351 313066971 CHEMBL3354258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253455 COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)NC(=N)N(C)C3=O)C2)cc1 InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,16-15-19-7-4-3-5-8-19)18-20-9-6-10-22(17-20)30-26(34)29-21-11-13-23(35-2)14-12-21/h11-14,19-20,22H,3-10,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,22+,27+/m0/s1 HVQGZWAEQHLJJJ-ZVUIFXONSA-N 50036606 CHEMBL3354259 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262561 313066970 CHEMBL3354259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253462 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2Cl)C1=O InChI=1S/C26H38ClN5O2/c1-32-23(33)26(31-24(32)28,15-14-18-8-3-2-4-9-18)17-19-10-7-11-20(16-19)29-25(34)30-22-13-6-5-12-21(22)27/h5-6,12-13,18-20H,2-4,7-11,14-17H2,1H3,(H2,28,31)(H2,29,30,34)/t19-,20+,26+/m0/s1 YFSKTCOWLVDPHY-OUDXUNEISA-N 50036604 CHEMBL3354256 Beta-secretase 1 Homo sapiens 301 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262553 313066969 CHEMBL3354256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253463 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(Cl)cc2)C1=O InChI=1S/C26H38ClN5O2/c1-32-23(33)26(31-24(32)28,15-14-18-6-3-2-4-7-18)17-19-8-5-9-22(16-19)30-25(34)29-21-12-10-20(27)11-13-21/h10-13,18-19,22H,2-9,14-17H2,1H3,(H2,28,31)(H2,29,30,34)/t19-,22+,26+/m0/s1 XPJYLAWJPYVLGO-IATMXGELSA-N 50036602 CHEMBL3354257 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262280 313066968 CHEMBL3354257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253468 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Cc2ccccc2)C1=O InChI=1S/C27H40N4O2/c1-31-25(33)27(30-26(31)28,16-15-20-9-4-2-5-10-20)19-22-13-8-14-23(17-22)29-24(32)18-21-11-6-3-7-12-21/h3,6-7,11-12,20,22-23H,2,4-5,8-10,13-19H2,1H3,(H2,28,30)(H,29,32)/t22-,23+,27+/m0/s1 QXVYJAQIWNGIBU-QHWMMSMNSA-N 50036583 CHEMBL3354254 Beta-secretase 1 Homo sapiens 585 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59262349 313066953 CHEMBL3354254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253470 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2)C1=O InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 CVMRAJSOLFSMNH-UNIVCBNLSA-N 50036582 CHEMBL3354255 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 779 4R93 57844259 313066952 CHEMBL3354255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253476 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 HAYVUYMTLMAYFA-WMEWVQGBSA-N 50036600 CHEMBL3354262 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720058 313066966 CHEMBL3354262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253502 CCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1 SILGEXOUELDSRZ-GMCHKSTQSA-N 50036587 CHEMBL1231280 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BDW 3L5E 11237963 313066956 CHEMBL1231280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253508 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCNC2)C1=O InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1 SBFPKNQJSOXSGJ-CRAIPNDOSA-N 50036588 CHEMBL3353633 Beta-secretase 1 Homo sapiens 8500 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719666 313066957 CHEMBL3353633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253509 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCNC2)C1=O InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18+/m0/s1 SBFPKNQJSOXSGJ-MAUKXSAKSA-N 50036590 CHEMBL3353632 Beta-secretase 1 Homo sapiens 66000 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719665 313066959 CHEMBL3353632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253511 CCCCC(=O)N1CCC[C@@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1 WHBVQJZRIGLEOT-WMZHIEFXSA-N 50036591 CHEMBL3354242 Beta-secretase 1 Homo sapiens 17000 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720051 313066960 CHEMBL3354242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253512 CCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1 CHOMXJPJPQZWET-XMSQKQJNSA-N 50036592 CHEMBL3353635 Beta-secretase 1 Homo sapiens 8500 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719668 313066961 CHEMBL3353635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253514 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCN(C2)C(=O)CC2CCCC2)C1=O InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25-/m1/s1 UUQZJEIUVHUPML-PXDATVDWSA-N 50036589 CHEMBL3354243 Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720052 313066958 CHEMBL3354243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253515 CCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 InChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1 AUMPRTPXAKYVDQ-NFBKMPQASA-N 50036593 CHEMBL3353634 Beta-secretase 1 Homo sapiens 7600 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719667 313066962 CHEMBL3353634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253516 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCN(C2)C(=O)OC(C)(C)C)C1=O InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)27-14-8-11-18(16-27)15-23(19(28)26(4)20(24)25-23)13-12-17-9-6-5-7-10-17/h17-18H,5-16H2,1-4H3,(H2,24,25)/t18-,23-/m1/s1 ABOIZKMFUAANLN-WZONZLPQSA-N 50036598 CHEMBL3353631 Beta-secretase 1 Homo sapiens 29000 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719664 313066965 CHEMBL3353631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50253517 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCN(C2)C(=O)OC(C)(C)C)C1=O InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)27-14-8-11-18(16-27)15-23(19(28)26(4)20(24)25-23)13-12-17-9-6-5-7-10-17/h17-18H,5-16H2,1-4H3,(H2,24,25)/t18-,23+/m0/s1 ABOIZKMFUAANLN-FDDCHVKYSA-N 50036601 CHEMBL3353630 Beta-secretase 1 Homo sapiens 41000 ChEMBL 10.1016/j.bmcl.2014.10.006 10.7270/Q2RJ4M38 25455483 Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50036601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50036601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118719663 313066967 CHEMBL3353630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248067 Cn1cc(cn1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H17F2N5O2/c1-31-11-15(10-29-31)14-8-18-21(19(25)9-14)33-20-5-4-13(16-3-2-6-28-22(16)26)7-17(20)24(18)12-32-23(27)30-24/h2-11H,12H2,1H3,(H2,27,30)/t24-/m0/s1 IFYBRJDTTGNRIE-DEOSSOPVSA-N 50032711 CHEMBL3354721 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45255106 103941166 CHEMBL3354721 ZINC13742704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248068 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccccn1)-c1cccnc1F InChI=1S/C25H16F2N4O2/c26-19-12-15(20-5-1-2-8-29-20)11-18-22(19)33-21-7-6-14(16-4-3-9-30-23(16)27)10-17(21)25(18)13-32-24(28)31-25/h1-12H,13H2,(H2,28,31)/t25-/m0/s1 AOVGTKMDLMZYPT-VWLOTQADSA-N 50032712 CHEMBL3355143 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464819 103941167 CHEMBL3355143 ZINC13742690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248100 CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 JWSHQJYDXNPIKG-QHCPKHFHSA-N 50398311 CHEMBL2177343 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWD 4FRK 45256294 163347335 CHEMBL2177343 ZINC95571641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248101 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 CHZHWZAKWGFQNL-DEOSSOPVSA-N 50031612 CHEMBL3354688 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LN 4RCE 45256109 313066105 CHEMBL3354688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248102 CC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H22N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-7,10-13,15H,14H2,1-3H3,(H2,26,29)/t25-/m1/s1 HBGLVJABBICLQC-RUZDIDTESA-N 50032713 CHEMBL3354689 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256823 103941168 CHEMBL3354689 ZINC13742706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248103 CC(C)(C)CCc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H26N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,26,29)/t25-/m1/s1 MSMLICOHMGLKMX-RUZDIDTESA-N 50032714 CHEMBL3354690 Beta-secretase 1 Homo sapiens 3.1 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256296 103941169 CHEMBL3354690 ZINC13742717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248104 CC(C)(O)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H20N4O3/c1-23(2,29)8-7-15-3-5-20-18(9-15)24(13-30-22(25)28-24)19-10-16(4-6-21(19)31-20)17-11-26-14-27-12-17/h3-6,9-12,14,29H,13H2,1-2H3,(H2,25,28)/t24-/m1/s1 QGAWXOQEXMZKDG-XMMPIXPASA-N 50032715 CHEMBL3354691 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59272335 103941170 CHEMBL3354691 ZINC13742724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248105 COC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H22N4O3/c1-24(2,30-3)9-8-16-4-6-21-19(10-16)25(14-31-23(26)29-25)20-11-17(5-7-22(20)32-21)18-12-27-15-28-13-18/h4-7,10-13,15H,14H2,1-3H3,(H2,26,29)/t25-/m1/s1 RUIBVXOIMNQJGF-RUZDIDTESA-N 50032716 CHEMBL3354692 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256654 103941171 CHEMBL3354692 ZINC13742730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248106 NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 InChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/s1 NZVBDKMMLGEBPO-XMMPIXPASA-N 50032717 CHEMBL3354693 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256653 103941172 CHEMBL3354693 ZINC43335506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248107 NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 InChI=1S/C23H21N5O3/c24-22-27-23(13-30-22)18-9-15(16-11-25-14-26-12-16)1-3-20(18)31-21-4-2-17(10-19(21)23)28-5-7-29-8-6-28/h1-4,9-12,14H,5-8,13H2,(H2,24,27)/t23-/m0/s1 QJHYHSYBJXSVDI-QHCPKHFHSA-N 50032718 CHEMBL3354694 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997978 103941173 CHEMBL3354694 ZINC13742723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248108 CC1(C)CN(CCO1)c1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H25N5O3/c1-24(2)13-30(7-8-32-24)18-4-6-22-20(10-18)25(14-31-23(26)29-25)19-9-16(3-5-21(19)33-22)17-11-27-15-28-12-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,26,29)/t25-/m0/s1 QPHLVXZLURTAQR-VWLOTQADSA-N 50032719 CHEMBL3354695 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256827 103941174 CHEMBL3354695 ZINC13742733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248109 NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1 InChI=1S/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/m0/s1 IDHCWOUPGCDUGN-SANMLTNESA-N 50032720 CHEMBL3354696 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997948 103941175 CHEMBL3354696 ZINC36349909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248110 CC(C)(O)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H22N4O4/c1-22(2,28)11-29-16-4-6-20-18(8-16)23(12-30-21(24)27-23)17-7-14(3-5-19(17)31-20)15-9-25-13-26-10-15/h3-10,13,28H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 LEHZUIOYZVNHKP-QHCPKHFHSA-N 50032721 CHEMBL3354697 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59272333 103941176 CHEMBL3354697 ZINC58482341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248111 COC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O4/c1-23(2,29-3)12-30-17-5-7-21-19(9-17)24(13-31-22(25)28-24)18-8-15(4-6-20(18)32-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 YCSZGOYPORRCOH-DEOSSOPVSA-N 50032722 CHEMBL3354698 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256479 103941177 CHEMBL3354698 ZINC36349941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248112 CC(C)(F)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H21FN4O3/c1-22(2,24)11-29-16-4-6-20-18(8-16)23(12-30-21(25)28-23)17-7-14(3-5-19(17)31-20)15-9-26-13-27-10-15/h3-10,13H,11-12H2,1-2H3,(H2,25,28)/t23-/m0/s1 FBJBTFVUBFBZJR-QHCPKHFHSA-N 50032723 CHEMBL3354699 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256478 103941178 CHEMBL3354699 ZINC36349922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248113 CC(C)(COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1)C#N InChI=1S/C24H21N5O3/c1-23(2,11-25)12-30-17-4-6-21-19(8-17)24(13-31-22(26)29-24)18-7-15(3-5-20(18)32-21)16-9-27-14-28-10-16/h3-10,14H,12-13H2,1-2H3,(H2,26,29)/t24-/m0/s1 JUKKJWQRMMAXPV-DEOSSOPVSA-N 50032724 CHEMBL3354700 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997417 103941179 CHEMBL3354700 ZINC36349938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248114 CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cncnc2)COC1 InChI=1S/C24H22N4O4/c1-23(10-29-11-23)12-30-17-3-5-21-19(7-17)24(13-31-22(25)28-24)18-6-15(2-4-20(18)32-21)16-8-26-14-27-9-16/h2-9,14H,10-13H2,1H3,(H2,25,28)/t24-/m0/s1 ANMFEOXBXPWDED-DEOSSOPVSA-N 50032725 CHEMBL3354701 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997856 103941180 CHEMBL3354701 ZINC36349919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248115 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccccn1 InChI=1S/C25H25N3O3/c1-24(2,3)14-29-17-8-10-22-19(13-17)25(15-30-23(26)28-25)18-12-16(7-9-21(18)31-22)20-6-4-5-11-27-20/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1 GIYVJINEXDOFJS-VWLOTQADSA-N 50032726 CHEMBL3354702 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466301 103941181 CHEMBL3354702 ZINC03809485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248116 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-5-7-22-20(13-18)25(15-30-23(26)28-25)19-12-17(4-6-21(19)31-22)16-8-10-27-11-9-16/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1 NESVKGZXFAMOSA-VWLOTQADSA-N 50032727 CHEMBL3354703 Beta-secretase 1 Homo sapiens 323 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720352 103941182 CHEMBL3354703 ZINC36349906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248117 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1 CFYIXTOTEZGNDR-VWLOTQADSA-N 50032728 CHEMBL3354704 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997939 103941183 CHEMBL3354704 ZINC36349904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248118 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1 InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-17-6-8-21-19(11-17)25(14-31-23(27)29-25)18-10-15(4-7-20(18)32-21)16-5-9-22(26)28-12-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1 KZTWANLURUNJBS-VWLOTQADSA-N 50032729 CHEMBL3354705 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998184 103941184 CHEMBL3354705 ZINC13742722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248119 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N InChI=1S/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/m0/s1 BNJWMFYATZFMQM-SANMLTNESA-N 50032730 CHEMBL3354706 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997526 103941185 CHEMBL3354706 ZINC13742721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248120 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-18-5-7-22-20(10-18)25(14-31-23(27)29-25)19-9-15(4-6-21(19)32-22)16-8-17(26)12-28-11-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1 NFNUDBUGUZLOPA-VWLOTQADSA-N 50032731 CHEMBL3354707 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997906 103941186 CHEMBL3354707 ZINC13742732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248121 COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1 InChI=1S/C26H27N3O4/c1-25(2,3)14-31-18-6-8-23-21(11-18)26(15-32-24(27)29-26)20-10-16(5-7-22(20)33-23)17-9-19(30-4)13-28-12-17/h5-13H,14-15H2,1-4H3,(H2,27,29)/t26-/m0/s1 ZTVRKPQAQQUAMM-SANMLTNESA-N 50032732 CHEMBL3354708 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997990 103941187 CHEMBL3354708 ZINC14286202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248122 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-16-7-9-21-19(12-16)25(14-31-23(27)29-25)18-11-15(6-8-20(18)32-21)17-5-4-10-28-22(17)26/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1 VYAYZDDTWIKQLE-VWLOTQADSA-N 50032733 CHEMBL3354709 Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997709 103941188 CHEMBL3354709 ZINC36349895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248123 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1c(F)ccnc1F InChI=1S/C25H23F2N3O3/c1-24(2,3)12-31-15-5-7-20-17(11-15)25(13-32-23(28)30-25)16-10-14(4-6-19(16)33-20)21-18(26)8-9-29-22(21)27/h4-11H,12-13H2,1-3H3,(H2,28,30)/t25-/m0/s1 TUOGSKJOBUQMQI-VWLOTQADSA-N 50032734 CHEMBL3354710 Beta-secretase 1 Homo sapiens 0.500000 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997911 103941189 CHEMBL3354710 ZINC36349898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248124 CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 InChI=1S/C25H23N3O4/c1-24(12-29-13-24)14-30-18-5-7-22-20(10-18)25(15-31-23(26)28-25)19-9-16(4-6-21(19)32-22)17-3-2-8-27-11-17/h2-11H,12-15H2,1H3,(H2,26,28)/t25-/m0/s1 SSKYJAODKCTZKZ-VWLOTQADSA-N 50032740 CHEMBL3354711 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256481 103941195 CHEMBL3354711 ZINC13742734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249209 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O3/c1-20-5-2-6-26-18(20)21(11-27-19(24)25-21)16-9-12(3-4-17(16)28-20)13-7-14(22)10-15(23)8-13/h3-4,7-10,18H,2,5-6,11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1 GSCCUTTXDDVRHC-JBACZVJFSA-N 50033397 CHEMBL3357667 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950205 103941688 CHEMBL3357667 ZINC27179877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249210 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O2S/c1-19-5-2-6-25-17(19)20(11-27-18(22)24-20)15-8-12(3-4-16(15)26-19)13-7-14(21)10-23-9-13/h3-4,7-10,17H,2,5-6,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 CZWAIHBNPBVKHE-IHPCNDPISA-N 50033398 CHEMBL3357666 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722349 103941689 CHEMBL3357666 ZINC27110236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249211 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-19-5-2-6-25-17(19)20(11-26-18(22)24-20)15-8-12(3-4-16(15)27-19)13-7-14(21)10-23-9-13/h3-4,7-10,17H,2,5-6,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 XKHSLMZGDKHDCD-IHPCNDPISA-N 50033399 CHEMBL3357665 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67971930 103941690 CHEMBL3357665 ZINC27108021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249212 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cccnc1F InChI=1S/C20H20FN3O2S/c1-19-7-3-9-25-17(19)20(11-27-18(22)24-20)14-10-12(5-6-15(14)26-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 RXAQLIJYNSBTGG-IHPCNDPISA-N 50033400 CHEMBL3357664 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722348 103941691 CHEMBL3357664 ZINC27108027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249213 NC1=N[C@]2(CS1)[C@@H]1OCCC[C@H]1Oc1ccc(cc21)-c1cccnc1F InChI=1S/C19H18FN3O2S/c20-17-12(3-1-7-22-17)11-5-6-14-13(9-11)19(10-26-18(21)23-19)16-15(25-14)4-2-8-24-16/h1,3,5-7,9,15-16H,2,4,8,10H2,(H2,21,23)/t15-,16-,19+/m1/s1 AKPKNEUYQSSFLE-MDZRGWNJSA-N 50033401 CHEMBL3357663 Beta-secretase 1 Homo sapiens 810 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722347 103941692 CHEMBL3357663 ZINC27190647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249214 C[C@@]12CCCO[C@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20+/m1/s1 DMNHLGOPJBTFQJ-RLLQIKCJSA-N 50033402 CHEMBL3357662 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UY 4RRS 67971215 313066381 CHEMBL3357662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249215 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 DMNHLGOPJBTFQJ-IHPCNDPISA-N 50033403 CHEMBL3357661 Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3J9 4R5N 67950186 103941693 CHEMBL3357661 ZINC01564563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249216 NC1=N[C@]2(CO1)[C@@H]1OCCC[C@H]1Oc1ccc(cc21)-c1cccnc1F InChI=1S/C19H18FN3O3/c20-17-12(3-1-7-22-17)11-5-6-14-13(9-11)19(10-25-18(21)23-19)16-15(26-14)4-2-8-24-16/h1,3,5-7,9,15-16H,2,4,8,10H2,(H2,21,23)/t15-,16-,19+/m1/s1 QSFQLALULVEZLV-MDZRGWNJSA-N 50033404 CHEMBL3357660 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722346 103941694 CHEMBL3357660 ZINC27179681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249217 CN1C(N)=N[C@@]2([C@@H]3OCCC[C@@]3(C)Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21+/m1/s1 RYCBSDWTFORSET-UIFIKXQLSA-N 50033405 CHEMBL3357659 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UX 4RRO 56947698 103941695 CHEMBL3357659 ZINC13906155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249218 CN1C(N)=N[C@@]2([C@H]3OCCC[C@]3(C)Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21-/m0/s1 RYCBSDWTFORSET-YYWHXJBOSA-N 50033406 CHEMBL3357658 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56947827 103941696 CHEMBL3357658 ZINC27179672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249219 CN1C(N)=N[C@@]2([C@@H]3OCCC[C@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20+/m1/s1 GZRDWAATBYKNGI-QINHECLXSA-N 50033407 CHEMBL3357657 Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722345 103941697 CHEMBL3357657 ZINC27109089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249220 CN1C(N)=N[C@@]2([C@H]3OCCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1 GZRDWAATBYKNGI-FTRWYGJKSA-N 50033408 CHEMBL3357656 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UW 4RRN 56948072 103941698 CHEMBL3357656 ZINC27109682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249221 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O2S/c1-20-5-2-6-26-18(20)21(11-28-19(24)25-21)16-9-12(3-4-17(16)27-20)13-7-14(22)10-15(23)8-13/h3-4,7-10,18H,2,5-6,11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1 YYSIZDVURBDWGB-JBACZVJFSA-N 50033409 CHEMBL3357668 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722350 103941699 CHEMBL3357668 ZINC27180348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249222 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N InChI=1S/C22H21N3O3/c1-21-8-3-9-26-19(21)22(13-27-20(24)25-22)17-11-16(6-7-18(17)28-21)15-5-2-4-14(10-15)12-23/h2,4-7,10-11,19H,3,8-9,13H2,1H3,(H2,24,25)/t19-,21-,22-/m0/s1 BDQZBWJOZWIRHU-BVSLBCMMSA-N 50033410 CHEMBL3357669 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950125 103941700 CHEMBL3357669 ZINC27106546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249223 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N InChI=1S/C22H21N3O3/c1-21-8-3-9-26-19(21)22(13-27-20(24)25-22)17-11-16(6-7-18(17)28-21)15-5-2-4-14(10-15)12-23/h2,4-7,10-11,19H,3,8-9,13H2,1H3,(H2,24,25)/t19-,21-,22-/m0/s1 BDQZBWJOZWIRHU-BVSLBCMMSA-N 50033410 CHEMBL3357669 Beta-secretase 1 Homo sapiens 98.0 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950125 103941700 CHEMBL3357669 ZINC27106546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249224 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N InChI=1S/C22H21N3O2S/c1-21-8-3-9-26-19(21)22(13-28-20(24)25-22)17-11-16(6-7-18(17)27-21)15-5-2-4-14(10-15)12-23/h2,4-7,10-11,19H,3,8-9,13H2,1H3,(H2,24,25)/t19-,21-,22-/m0/s1 BVIMFRJFUFNRFW-BVSLBCMMSA-N 50033411 CHEMBL3357670 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722351 103941701 CHEMBL3357670 ZINC27107521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249225 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncnc1 InChI=1S/C19H20N4O3/c1-18-5-2-6-24-16(18)19(10-25-17(20)23-19)14-7-12(3-4-15(14)26-18)13-8-21-11-22-9-13/h3-4,7-9,11,16H,2,5-6,10H2,1H3,(H2,20,23)/t16-,18-,19-/m0/s1 FAYFYCHHIWTMHI-WDSOQIARSA-N 50033412 CHEMBL3357671 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950129 103941702 CHEMBL3357671 ZINC27109093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249226 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cncnc1 InChI=1S/C19H20N4O2S/c1-18-5-2-6-24-16(18)19(10-26-17(20)23-19)14-7-12(3-4-15(14)25-18)13-8-21-11-22-9-13/h3-4,7-9,11,16H,2,5-6,10H2,1H3,(H2,20,23)/t16-,18-,19-/m0/s1 OGUAJEJFUMYZND-WDSOQIARSA-N 50033413 CHEMBL3357672 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722352 103941703 CHEMBL3357672 ZINC27106501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249244 CN1C(N)=N[C@@]2([C@H]3OCCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1 GZRDWAATBYKNGI-FTRWYGJKSA-N 50033408 CHEMBL3357656 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UW 4RRN 56948072 103941698 CHEMBL3357656 ZINC27109682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248128 CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2F)COC1 InChI=1S/C25H21F2N3O4/c1-24(10-31-11-24)12-32-15-8-18-21(19(26)9-15)34-20-5-4-14(16-3-2-6-29-22(16)27)7-17(20)25(18)13-33-23(28)30-25/h2-9H,10-13H2,1H3,(H2,28,30)/t25-/m0/s1 LGJGOLQXJZLXOK-VWLOTQADSA-N 50032744 CHEMBL3354715 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254702 103941199 CHEMBL3354715 ZINC36349929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248129 CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 JWSHQJYDXNPIKG-QHCPKHFHSA-N 50398311 CHEMBL2177343 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DWD 4FRK 45256294 163347335 CHEMBL2177343 ZINC95571641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248130 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 CHZHWZAKWGFQNL-DEOSSOPVSA-N 50031612 CHEMBL3354688 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LN 4RCE 45256109 313066105 CHEMBL3354688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248131 CC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H22N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-7,10-13,15H,14H2,1-3H3,(H2,26,29)/t25-/m1/s1 HBGLVJABBICLQC-RUZDIDTESA-N 50032713 CHEMBL3354689 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256823 103941168 CHEMBL3354689 ZINC13742706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248132 CC(C)(C)CCc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H26N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,26,29)/t25-/m1/s1 MSMLICOHMGLKMX-RUZDIDTESA-N 50032714 CHEMBL3354690 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256296 103941169 CHEMBL3354690 ZINC13742717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248125 CC1(COc2cc3c(Oc4ccc(cc4[C@@]33COC(N)=N3)-c3cccnc3)cc2F)COC1 InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-22-8-18-21(9-19(22)26)33-20-5-4-15(16-3-2-6-28-10-16)7-17(20)25(18)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1 QZKJVVRMYLAHNA-VWLOTQADSA-N 50032741 CHEMBL3354712 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89512662 103941196 CHEMBL3354712 ZINC14286204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248133 CC(C)(O)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H20N4O3/c1-23(2,29)8-7-15-3-5-20-18(9-15)24(13-30-22(25)28-24)19-10-16(4-6-21(19)31-20)17-11-26-14-27-12-17/h3-6,9-12,14,29H,13H2,1-2H3,(H2,25,28)/t24-/m1/s1 QGAWXOQEXMZKDG-XMMPIXPASA-N 50032715 CHEMBL3354691 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59272335 103941170 CHEMBL3354691 ZINC13742724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248134 COC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H22N4O3/c1-24(2,30-3)9-8-16-4-6-21-19(10-16)25(14-31-23(26)29-25)20-11-17(5-7-22(20)32-21)18-12-27-15-28-13-18/h4-7,10-13,15H,14H2,1-3H3,(H2,26,29)/t25-/m1/s1 RUIBVXOIMNQJGF-RUZDIDTESA-N 50032716 CHEMBL3354692 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256654 103941171 CHEMBL3354692 ZINC13742730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248135 NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 InChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/s1 NZVBDKMMLGEBPO-XMMPIXPASA-N 50032717 CHEMBL3354693 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256653 103941172 CHEMBL3354693 ZINC43335506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248136 NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 InChI=1S/C23H21N5O3/c24-22-27-23(13-30-22)18-9-15(16-11-25-14-26-12-16)1-3-20(18)31-21-4-2-17(10-19(21)23)28-5-7-29-8-6-28/h1-4,9-12,14H,5-8,13H2,(H2,24,27)/t23-/m0/s1 QJHYHSYBJXSVDI-QHCPKHFHSA-N 50032718 CHEMBL3354694 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997978 103941173 CHEMBL3354694 ZINC13742723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248137 CC1(C)CN(CCO1)c1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C25H25N5O3/c1-24(2)13-30(7-8-32-24)18-4-6-22-20(10-18)25(14-31-23(26)29-25)19-9-16(3-5-21(19)33-22)17-11-27-15-28-12-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,26,29)/t25-/m0/s1 QPHLVXZLURTAQR-VWLOTQADSA-N 50032719 CHEMBL3354695 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256827 103941174 CHEMBL3354695 ZINC13742733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248138 NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1 InChI=1S/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/m0/s1 IDHCWOUPGCDUGN-SANMLTNESA-N 50032720 CHEMBL3354696 Beta-secretase 1 Homo sapiens 269 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997948 103941175 CHEMBL3354696 ZINC36349909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248139 CC(C)(O)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H22N4O4/c1-22(2,28)11-29-16-4-6-20-18(8-16)23(12-30-21(24)27-23)17-7-14(3-5-19(17)31-20)15-9-25-13-26-10-15/h3-10,13,28H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 LEHZUIOYZVNHKP-QHCPKHFHSA-N 50032721 CHEMBL3354697 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59272333 103941176 CHEMBL3354697 ZINC58482341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248140 COC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O4/c1-23(2,29-3)12-30-17-5-7-21-19(9-17)24(13-31-22(25)28-24)18-8-15(4-6-20(18)32-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 YCSZGOYPORRCOH-DEOSSOPVSA-N 50032722 CHEMBL3354698 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256479 103941177 CHEMBL3354698 ZINC36349941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248141 CC(C)(F)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H21FN4O3/c1-22(2,24)11-29-16-4-6-20-18(8-16)23(12-30-21(25)28-23)17-7-14(3-5-19(17)31-20)15-9-26-13-27-10-15/h3-10,13H,11-12H2,1-2H3,(H2,25,28)/t23-/m0/s1 FBJBTFVUBFBZJR-QHCPKHFHSA-N 50032723 CHEMBL3354699 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256478 103941178 CHEMBL3354699 ZINC36349922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248142 CC(C)(COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1)C#N InChI=1S/C24H21N5O3/c1-23(2,11-25)12-30-17-4-6-21-19(8-17)24(13-31-22(26)29-24)18-7-15(3-5-20(18)32-21)16-9-27-14-28-10-16/h3-10,14H,12-13H2,1-2H3,(H2,26,29)/t24-/m0/s1 JUKKJWQRMMAXPV-DEOSSOPVSA-N 50032724 CHEMBL3354700 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997417 103941179 CHEMBL3354700 ZINC36349938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248143 CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cncnc2)COC1 InChI=1S/C24H22N4O4/c1-23(10-29-11-23)12-30-17-3-5-21-19(7-17)24(13-31-22(25)28-24)18-6-15(2-4-20(18)32-21)16-8-26-14-27-9-16/h2-9,14H,10-13H2,1H3,(H2,25,28)/t24-/m0/s1 ANMFEOXBXPWDED-DEOSSOPVSA-N 50032725 CHEMBL3354701 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997856 103941180 CHEMBL3354701 ZINC36349919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248144 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccccn1 InChI=1S/C25H25N3O3/c1-24(2,3)14-29-17-8-10-22-19(13-17)25(15-30-23(26)28-25)18-12-16(7-9-21(18)31-22)20-6-4-5-11-27-20/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1 GIYVJINEXDOFJS-VWLOTQADSA-N 50032726 CHEMBL3354702 Beta-secretase 1 Homo sapiens 583 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466301 103941181 CHEMBL3354702 ZINC03809485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248145 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-5-7-22-20(13-18)25(15-30-23(26)28-25)19-12-17(4-6-21(19)31-22)16-8-10-27-11-9-16/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1 NESVKGZXFAMOSA-VWLOTQADSA-N 50032727 CHEMBL3354703 Beta-secretase 1 Homo sapiens 2830 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118720352 103941182 CHEMBL3354703 ZINC36349906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248146 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1 CFYIXTOTEZGNDR-VWLOTQADSA-N 50032728 CHEMBL3354704 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997939 103941183 CHEMBL3354704 ZINC36349904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248147 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1 InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-17-6-8-21-19(11-17)25(14-31-23(27)29-25)18-10-15(4-7-20(18)32-21)16-5-9-22(26)28-12-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1 KZTWANLURUNJBS-VWLOTQADSA-N 50032729 CHEMBL3354705 Beta-secretase 1 Homo sapiens 113 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998184 103941184 CHEMBL3354705 ZINC13742722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248148 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N InChI=1S/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/m0/s1 BNJWMFYATZFMQM-SANMLTNESA-N 50032730 CHEMBL3354706 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997526 103941185 CHEMBL3354706 ZINC13742721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248149 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(F)c1 InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-18-5-7-22-20(10-18)25(14-31-23(27)29-25)19-9-15(4-6-21(19)32-22)16-8-17(26)12-28-11-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1 NFNUDBUGUZLOPA-VWLOTQADSA-N 50032731 CHEMBL3354707 Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997906 103941186 CHEMBL3354707 ZINC13742732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248150 COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1 InChI=1S/C26H27N3O4/c1-25(2,3)14-31-18-6-8-23-21(11-18)26(15-32-24(27)29-26)20-10-16(5-7-22(20)33-23)17-9-19(30-4)13-28-12-17/h5-13H,14-15H2,1-4H3,(H2,27,29)/t26-/m0/s1 ZTVRKPQAQQUAMM-SANMLTNESA-N 50032732 CHEMBL3354708 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997990 103941187 CHEMBL3354708 ZINC14286202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248151 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-16-7-9-21-19(12-16)25(14-31-23(27)29-25)18-11-15(6-8-20(18)32-21)17-5-4-10-28-22(17)26/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1 VYAYZDDTWIKQLE-VWLOTQADSA-N 50032733 CHEMBL3354709 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997709 103941188 CHEMBL3354709 ZINC36349895 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248152 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1c(F)ccnc1F InChI=1S/C25H23F2N3O3/c1-24(2,3)12-31-15-5-7-20-17(11-15)25(13-32-23(28)30-25)16-10-14(4-6-19(16)33-20)21-18(26)8-9-29-22(21)27/h4-11H,12-13H2,1-3H3,(H2,28,30)/t25-/m0/s1 TUOGSKJOBUQMQI-VWLOTQADSA-N 50032734 CHEMBL3354710 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997911 103941189 CHEMBL3354710 ZINC36349898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248153 CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 InChI=1S/C25H23N3O4/c1-24(12-29-13-24)14-30-18-5-7-22-20(10-18)25(15-31-23(26)28-25)19-9-16(4-6-21(19)32-22)17-3-2-8-27-11-17/h2-11H,12-15H2,1H3,(H2,26,28)/t25-/m0/s1 SSKYJAODKCTZKZ-VWLOTQADSA-N 50032740 CHEMBL3354711 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256481 103941195 CHEMBL3354711 ZINC13742734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248154 CC1(COc2cc3c(Oc4ccc(cc4[C@@]33COC(N)=N3)-c3cccnc3)cc2F)COC1 InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-22-8-18-21(9-19(22)26)33-20-5-4-15(16-3-2-6-28-10-16)7-17(20)25(18)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1 QZKJVVRMYLAHNA-VWLOTQADSA-N 50032741 CHEMBL3354712 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89512662 103941196 CHEMBL3354712 ZINC14286204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248155 CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-8-19-22(20(26)9-17)33-21-5-4-15(16-3-2-6-28-10-16)7-18(21)25(19)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1 IBQPJQVHTHHEHN-VWLOTQADSA-N 50032742 CHEMBL3354713 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997769 103941197 CHEMBL3354713 ZINC13742720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248156 CC1(COc2ccc3Oc4c(F)cc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-4-5-21-18(9-17)25(14-32-23(27)29-25)19-7-16(8-20(26)22(19)33-21)15-3-2-6-28-10-15/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m1/s1 GYJBCXIXODKGFZ-RUZDIDTESA-N 50032743 CHEMBL3354714 Beta-secretase 1 Homo sapiens 178 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997464 103941198 CHEMBL3354714 ZINC43352153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248157 CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2F)COC1 InChI=1S/C25H21F2N3O4/c1-24(10-31-11-24)12-32-15-8-18-21(19(26)9-15)34-20-5-4-14(16-3-2-6-29-22(16)27)7-17(20)25(18)13-33-23(28)30-25/h2-9H,10-13H2,1H3,(H2,28,30)/t25-/m0/s1 LGJGOLQXJZLXOK-VWLOTQADSA-N 50032744 CHEMBL3354715 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254702 103941199 CHEMBL3354715 ZINC36349929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248158 CC(C)(F)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H20F3N3O3/c1-23(2,27)11-31-14-9-17-20(18(25)10-14)33-19-6-5-13(15-4-3-7-29-21(15)26)8-16(19)24(17)12-32-22(28)30-24/h3-10H,11-12H2,1-2H3,(H2,28,30)/t24-/m0/s1 FINMGPWGVROOTC-DEOSSOPVSA-N 50032735 CHEMBL3354716 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997802 103941190 CHEMBL3354716 ZINC13742727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248159 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C25H19F2N3O3/c26-20-11-16(15-3-2-8-31-12-15)10-19-22(20)33-21-6-5-14(17-4-1-7-29-23(17)27)9-18(21)25(19)13-32-24(28)30-25/h1,3-7,9-11H,2,8,12-13H2,(H2,28,30)/t25-/m0/s1 JJDOGEHWXAGFKG-VWLOTQADSA-N 50032736 CHEMBL3354717 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464942 103941191 CHEMBL3354717 ZINC13742729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248160 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/m0/s1 UBJVRJGPVXTXQB-VWLOTQADSA-N 50032737 CHEMBL3354718 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LO 4RCF 45254900 103941192 CHEMBL3354718 ZINC36349926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248161 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C24H20F2N4O3/c25-19-12-15(30-6-8-31-9-7-30)11-18-21(19)33-20-4-3-14(16-2-1-5-28-22(16)26)10-17(20)24(18)13-32-23(27)29-24/h1-5,10-12H,6-9,13H2,(H2,27,29)/t24-/m0/s1 IWIBSPRXMYPEGW-DEOSSOPVSA-N 50032738 CHEMBL3354719 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465003 103941193 CHEMBL3354719 ZINC13742731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248162 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CC[C@H](F)C1)-c1cccnc1F InChI=1S/C24H19F3N4O2/c25-14-5-7-31(11-14)15-9-18-21(19(26)10-15)33-20-4-3-13(16-2-1-6-29-22(16)27)8-17(20)24(18)12-32-23(28)30-24/h1-4,6,8-10,14H,5,7,11-12H2,(H2,28,30)/t14-,24-/m0/s1 QACXZFDNMSEDFG-BSEYFRJRSA-N 50032739 CHEMBL3354720 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465005 103941194 CHEMBL3354720 ZINC13742725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248126 CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-8-19-22(20(26)9-17)33-21-5-4-15(16-3-2-6-28-10-16)7-18(21)25(19)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1 IBQPJQVHTHHEHN-VWLOTQADSA-N 50032742 CHEMBL3354713 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997769 103941197 CHEMBL3354713 ZINC13742720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50248127 CC1(COc2ccc3Oc4c(F)cc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-4-5-21-18(9-17)25(14-32-23(27)29-25)19-7-16(8-20(26)22(19)33-21)15-3-2-6-28-10-15/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m1/s1 GYJBCXIXODKGFZ-RUZDIDTESA-N 50032743 CHEMBL3354714 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1021/jm501266w 10.7270/Q28S4RHC 25389560 Epstein, O; Bryan, MC; Cheng, AC; Derakhchan, K; Dineen, TA; Hickman, D; Hua, Z; Human, JB; Kreiman, C; Marx, IE; Weiss, MM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Zheng, XM; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997464 103941198 CHEMBL3354714 ZINC43352153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249245 CN1C(N)=N[C@@]2([C@@H]3OCCC[C@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20+/m1/s1 GZRDWAATBYKNGI-QINHECLXSA-N 50033407 CHEMBL3357657 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722345 103941697 CHEMBL3357657 ZINC27109089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249246 CN1C(N)=N[C@@]2([C@H]3OCCC[C@]3(C)Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21-/m0/s1 RYCBSDWTFORSET-YYWHXJBOSA-N 50033406 CHEMBL3357658 Beta-secretase 1 Homo sapiens 5.7 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56947827 103941696 CHEMBL3357658 ZINC27179672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249247 CN1C(N)=N[C@@]2([C@@H]3OCCC[C@@]3(C)Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21+/m1/s1 RYCBSDWTFORSET-UIFIKXQLSA-N 50033405 CHEMBL3357659 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UX 4RRO 56947698 103941695 CHEMBL3357659 ZINC13906155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249248 NC1=N[C@]2(CO1)[C@@H]1OCCC[C@H]1Oc1ccc(cc21)-c1cccnc1F InChI=1S/C19H18FN3O3/c20-17-12(3-1-7-22-17)11-5-6-14-13(9-11)19(10-25-18(21)23-19)16-15(26-14)4-2-8-24-16/h1,3,5-7,9,15-16H,2,4,8,10H2,(H2,21,23)/t15-,16-,19+/m1/s1 QSFQLALULVEZLV-MDZRGWNJSA-N 50033404 CHEMBL3357660 Beta-secretase 1 Homo sapiens 759 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722346 103941694 CHEMBL3357660 ZINC27179681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249249 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 DMNHLGOPJBTFQJ-IHPCNDPISA-N 50033403 CHEMBL3357661 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3J9 4R5N 67950186 103941693 CHEMBL3357661 ZINC01564563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249250 C[C@@]12CCCO[C@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccnc1F InChI=1S/C20H20FN3O3/c1-19-7-3-9-25-17(19)20(11-26-18(22)24-20)14-10-12(5-6-15(14)27-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20+/m1/s1 DMNHLGOPJBTFQJ-RLLQIKCJSA-N 50033402 CHEMBL3357662 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UY 4RRS 67971215 313066381 CHEMBL3357662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249251 NC1=N[C@]2(CS1)[C@@H]1OCCC[C@H]1Oc1ccc(cc21)-c1cccnc1F InChI=1S/C19H18FN3O2S/c20-17-12(3-1-7-22-17)11-5-6-14-13(9-11)19(10-26-18(21)23-19)16-15(25-14)4-2-8-24-16/h1,3,5-7,9,15-16H,2,4,8,10H2,(H2,21,23)/t15-,16-,19+/m1/s1 AKPKNEUYQSSFLE-MDZRGWNJSA-N 50033401 CHEMBL3357663 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722347 103941692 CHEMBL3357663 ZINC27190647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249252 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cccnc1F InChI=1S/C20H20FN3O2S/c1-19-7-3-9-25-17(19)20(11-27-18(22)24-20)14-10-12(5-6-15(14)26-19)13-4-2-8-23-16(13)21/h2,4-6,8,10,17H,3,7,9,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 RXAQLIJYNSBTGG-IHPCNDPISA-N 50033400 CHEMBL3357664 Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722348 103941691 CHEMBL3357664 ZINC27108027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249253 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O3/c1-19-5-2-6-25-17(19)20(11-26-18(22)24-20)15-8-12(3-4-16(15)27-19)13-7-14(21)10-23-9-13/h3-4,7-10,17H,2,5-6,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 XKHSLMZGDKHDCD-IHPCNDPISA-N 50033399 CHEMBL3357665 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67971930 103941690 CHEMBL3357665 ZINC27108021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249254 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 InChI=1S/C20H20ClN3O2S/c1-19-5-2-6-25-17(19)20(11-27-18(22)24-20)15-8-12(3-4-16(15)26-19)13-7-14(21)10-23-9-13/h3-4,7-10,17H,2,5-6,11H2,1H3,(H2,22,24)/t17-,19-,20-/m0/s1 CZWAIHBNPBVKHE-IHPCNDPISA-N 50033398 CHEMBL3357666 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722349 103941689 CHEMBL3357666 ZINC27110236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249255 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O3/c1-20-5-2-6-26-18(20)21(11-27-19(24)25-21)16-9-12(3-4-17(16)28-20)13-7-14(22)10-15(23)8-13/h3-4,7-10,18H,2,5-6,11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1 GSCCUTTXDDVRHC-JBACZVJFSA-N 50033397 CHEMBL3357667 Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950205 103941688 CHEMBL3357667 ZINC27179877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249256 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1 InChI=1S/C21H20ClFN2O2S/c1-20-5-2-6-26-18(20)21(11-28-19(24)25-21)16-9-12(3-4-17(16)27-20)13-7-14(22)10-15(23)8-13/h3-4,7-10,18H,2,5-6,11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1 YYSIZDVURBDWGB-JBACZVJFSA-N 50033409 CHEMBL3357668 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722350 103941699 CHEMBL3357668 ZINC27180348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249257 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N InChI=1S/C22H21N3O3/c1-21-8-3-9-26-19(21)22(13-27-20(24)25-22)17-11-16(6-7-18(17)28-21)15-5-2-4-14(10-15)12-23/h2,4-7,10-11,19H,3,8-9,13H2,1H3,(H2,24,25)/t19-,21-,22-/m0/s1 BDQZBWJOZWIRHU-BVSLBCMMSA-N 50033410 CHEMBL3357669 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950125 103941700 CHEMBL3357669 ZINC27106546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249258 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N InChI=1S/C22H21N3O3/c1-21-8-3-9-26-19(21)22(13-27-20(24)25-22)17-11-16(6-7-18(17)28-21)15-5-2-4-14(10-15)12-23/h2,4-7,10-11,19H,3,8-9,13H2,1H3,(H2,24,25)/t19-,21-,22-/m0/s1 BDQZBWJOZWIRHU-BVSLBCMMSA-N 50033410 CHEMBL3357669 Beta-secretase 1 Homo sapiens 100.0 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950125 103941700 CHEMBL3357669 ZINC27106546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249259 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N InChI=1S/C22H21N3O2S/c1-21-8-3-9-26-19(21)22(13-28-20(24)25-22)17-11-16(6-7-18(17)27-21)15-5-2-4-14(10-15)12-23/h2,4-7,10-11,19H,3,8-9,13H2,1H3,(H2,24,25)/t19-,21-,22-/m0/s1 BVIMFRJFUFNRFW-BVSLBCMMSA-N 50033411 CHEMBL3357670 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722351 103941701 CHEMBL3357670 ZINC27107521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249260 C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncnc1 InChI=1S/C19H20N4O3/c1-18-5-2-6-24-16(18)19(10-25-17(20)23-19)14-7-12(3-4-15(14)26-18)13-8-21-11-22-9-13/h3-4,7-9,11,16H,2,5-6,10H2,1H3,(H2,20,23)/t16-,18-,19-/m0/s1 FAYFYCHHIWTMHI-WDSOQIARSA-N 50033412 CHEMBL3357671 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67950129 103941702 CHEMBL3357671 ZINC27109093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249261 C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cncnc1 InChI=1S/C19H20N4O2S/c1-18-5-2-6-24-16(18)19(10-26-17(20)23-19)14-7-12(3-4-15(14)25-18)13-8-21-11-22-9-13/h3-4,7-9,11,16H,2,5-6,10H2,1H3,(H2,20,23)/t16-,18-,19-/m0/s1 OGUAJEJFUMYZND-WDSOQIARSA-N 50033413 CHEMBL3357672 Beta-secretase 1 Homo sapiens 81 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118722352 103941703 CHEMBL3357672 ZINC27106501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50249262 CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1 DWEUDIDNAOSEBW-UVFQYZLESA-N 50448549 CHEMBL3127106 Beta-secretase 1 Homo sapiens 9.9 ChEMBL 10.1021/jm5015132 10.7270/Q2348N0T 25411915 Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP Array BioPharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50448549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2EX 4N00 56947421 194946445 CHEMBL3127106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50591710 OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1 BYVWXQRJRYELNP-AWKYBWMHSA-N 50084980 (+)-taxifolin::(-)-Epicatechol::(2R,3R)-(-)-Epicatechin::(2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one::(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one::(2R,3R)-dihydroquercetin::(2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone::CHEMBL66::L-Epicatechin Beta-secretase 1 Homo sapiens 30000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53708474 103984463 38747 CHEMBL66 ZINC00105086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50591711 Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m0/s1 QJYNZEYHSMRWBK-ABGQCZQLSA-N 50135166 2,3,4,5-tetra(3,4,5-trihydroxyphenylcarbonyloxy)-6-(3,4,5-trihydroxyphenylcarbonyloxymethyl)-(2R,3S,4R,5S,6S)-tetrahydro-2H-pyran::CHEMBL127911 Beta-secretase 1 Homo sapiens >160000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44350821 104025593 CHEMBL127911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246216 CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1 GKKFBOARESVMBW-VWLOTQADSA-N 50031613 CHEMBL3359763 Beta-secretase 1 Homo sapiens 4.4 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LL 4RCD 45254510 313066106 CHEMBL3359763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246218 CC(C)(O)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H19FN4O3/c1-23(2,30)8-7-14-10-18-21(28-12-14)32-19-6-5-15(16-4-3-9-27-20(16)25)11-17(19)24(18)13-31-22(26)29-24/h3-6,9-12,30H,13H2,1-2H3,(H2,26,29)/t24-/m0/s1 KAUGEXWMBITOIF-DEOSSOPVSA-N 50031615 CHEMBL3359762 Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998106 313066108 CHEMBL3359762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246221 COC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H21FN4O3/c1-24(2,31-3)9-8-15-11-19-22(29-13-15)33-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-32-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/m0/s1 NSZIOJJFVANMBW-VWLOTQADSA-N 50031616 CHEMBL3359761 Beta-secretase 1 Homo sapiens 2.8 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118723828 313066109 CHEMBL3359761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246223 CC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H21FN4O2/c1-24(2,3)9-8-15-11-19-22(29-13-15)32-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-31-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/m0/s1 HVHWAHSJCSERGA-VWLOTQADSA-N 50031617 CHEMBL3359760 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256826 313066110 CHEMBL3359760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246224 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-20-10-13(5-7-28-20)15-9-18-22(30-11-15)33-19-4-3-14(16-2-1-6-29-21(16)26)8-17(19)24(18)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 MXGKIAXWSDJQEC-DEOSSOPVSA-N 50031618 CHEMBL3359759 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998018 313066111 CHEMBL3359759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246225 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccc(cc1)C#N)-c1cccnc1F InChI=1S/C26H16FN5O2/c27-23-19(2-1-9-30-23)17-7-8-22-20(10-17)26(14-33-25(29)32-26)21-11-18(13-31-24(21)34-22)16-5-3-15(12-28)4-6-16/h1-11,13H,14H2,(H2,29,32)/t26-/m0/s1 WNWBYUIGGUXYAA-SANMLTNESA-N 50031614 CHEMBL3359758 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998034 313066107 CHEMBL3359758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246227 Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/m0/s1 XDXKCXYAVKKRNF-SANMLTNESA-N 50031619 CHEMBL3359757 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466243 313066112 CHEMBL3359757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246228 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C23H20FN5O3/c24-20-16(2-1-5-26-20)14-3-4-19-17(10-14)23(13-31-22(25)28-23)18-11-15(12-27-21(18)32-19)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1 PQIYMULTKYMCAI-QHCPKHFHSA-N 50031620 CHEMBL3359756 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997512 313066113 CHEMBL3359756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246229 CC1(C)OCCC(=C1)c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)17-11-20-23(30-13-17)34-21-6-5-15(18-4-3-8-29-22(18)27)10-19(21)26(20)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1 PVRPBUIVTLGNNB-SANMLTNESA-N 50031621 CHEMBL3359755 Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997503 313066114 CHEMBL3359755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246230 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1CCOCC1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/m0/s1 YAIILFXOQLIACI-DEOSSOPVSA-N 50031622 CHEMBL3359754 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997377 313066115 CHEMBL3359754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246231 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-21-17(4-1-7-27-21)14-5-6-20-18(9-14)24(13-31-23(26)29-24)19-10-16(11-28-22(19)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/m0/s1 HPMNONWWSUHESS-DEOSSOPVSA-N 50031623 CHEMBL3359753 Beta-secretase 1 Homo sapiens 5.2 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464695 313066116 CHEMBL3359753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246236 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1 NBQMQFRPAJCJKY-DEOSSOPVSA-N 50031624 CHEMBL3359752 Beta-secretase 1 Homo sapiens 5.2 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118723827 313066117 CHEMBL3359752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246237 COC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H23FN4O4/c1-23(2,30-3)12-31-15-10-18-21(28-11-15)33-19-7-6-14(16-5-4-8-27-20(16)25)9-17(19)24(18)13-32-22(26)29-24/h4-11H,12-13H2,1-3H3,(H2,26,29)/t24-/m0/s1 GXOBAIFEPOPJJA-DEOSSOPVSA-N 50031625 CHEMBL3359751 Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89512731 313066118 CHEMBL3359751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246238 CC(C)(C)COc1ccc2Oc3ncc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H23N5O3/c1-22(2,3)11-29-16-4-5-19-17(7-16)23(12-30-21(24)28-23)18-6-14(10-27-20(18)31-19)15-8-25-13-26-9-15/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/m1/s1 CFGIPEFZRVYXID-HSZRJFAPSA-N 50031626 CHEMBL3359750 Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998216 313066119 CHEMBL3359750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246239 CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H23FN4O3/c1-23(2,3)12-30-15-10-18-21(28-11-15)32-19-7-6-14(16-5-4-8-27-20(16)25)9-17(19)24(18)13-31-22(26)29-24/h4-11H,12-13H2,1-3H3,(H2,26,29)/t24-/m0/s1 AVVKTTRYZQZYQY-DEOSSOPVSA-N 50031627 CHEMBL3359749 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997423 313066120 CHEMBL3359749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246240 CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 InChI=1S/C24H24N4O3/c1-23(2,3)13-29-17-10-19-21(27-12-17)31-20-7-6-15(16-5-4-8-26-11-16)9-18(20)24(19)14-30-22(25)28-24/h4-12H,13-14H2,1-3H3,(H2,25,28)/t24-/m0/s1 MALUDQJRFWLZQG-DEOSSOPVSA-N 50031628 CHEMBL3359748 Beta-secretase 1 Homo sapiens 3.8 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254130 313066121 CHEMBL3359748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246241 CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H23N5O3/c1-22(2,3)11-29-16-7-18-20(27-10-16)31-19-5-4-14(15-8-25-13-26-9-15)6-17(19)23(18)12-30-21(24)28-23/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/m0/s1 RZWUVNLTQGLJCA-QHCPKHFHSA-N 50031629 CHEMBL3359747 Beta-secretase 1 Homo sapiens 4.4 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118723826 313066122 CHEMBL3359747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246242 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 CHZHWZAKWGFQNL-DEOSSOPVSA-N 50031612 CHEMBL3354688 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LN 4RCE 45256109 313066105 CHEMBL3354688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246243 CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1 GKKFBOARESVMBW-VWLOTQADSA-N 50031613 CHEMBL3359763 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LL 4RCD 45254510 313066106 CHEMBL3359763 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246245 CC(C)(O)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H19FN4O3/c1-23(2,30)8-7-14-10-18-21(28-12-14)32-19-6-5-15(16-4-3-9-27-20(16)25)11-17(19)24(18)13-31-22(26)29-24/h3-6,9-12,30H,13H2,1-2H3,(H2,26,29)/t24-/m0/s1 KAUGEXWMBITOIF-DEOSSOPVSA-N 50031615 CHEMBL3359762 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998106 313066108 CHEMBL3359762 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246246 COC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H21FN4O3/c1-24(2,31-3)9-8-15-11-19-22(29-13-15)33-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-32-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/m0/s1 NSZIOJJFVANMBW-VWLOTQADSA-N 50031616 CHEMBL3359761 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118723828 313066109 CHEMBL3359761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246247 CC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C25H21FN4O2/c1-24(2,3)9-8-15-11-19-22(29-13-15)32-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-31-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/m0/s1 HVHWAHSJCSERGA-VWLOTQADSA-N 50031617 CHEMBL3359760 Beta-secretase 1 Homo sapiens 4.7 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45256826 313066110 CHEMBL3359760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246250 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-20-10-13(5-7-28-20)15-9-18-22(30-11-15)33-19-4-3-14(16-2-1-6-29-21(16)26)8-17(19)24(18)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 MXGKIAXWSDJQEC-DEOSSOPVSA-N 50031618 CHEMBL3359759 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998018 313066111 CHEMBL3359759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246254 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccc(cc1)C#N)-c1cccnc1F InChI=1S/C26H16FN5O2/c27-23-19(2-1-9-30-23)17-7-8-22-20(10-17)26(14-33-25(29)32-26)21-11-18(13-31-24(21)34-22)16-5-3-15(12-28)4-6-16/h1-11,13H,14H2,(H2,29,32)/t26-/m0/s1 WNWBYUIGGUXYAA-SANMLTNESA-N 50031614 CHEMBL3359758 Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998034 313066107 CHEMBL3359758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246255 Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/m0/s1 XDXKCXYAVKKRNF-SANMLTNESA-N 50031619 CHEMBL3359757 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466243 313066112 CHEMBL3359757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246256 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C23H20FN5O3/c24-20-16(2-1-5-26-20)14-3-4-19-17(10-14)23(13-31-22(25)28-23)18-11-15(12-27-21(18)32-19)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1 PQIYMULTKYMCAI-QHCPKHFHSA-N 50031620 CHEMBL3359756 Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997512 313066113 CHEMBL3359756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246257 CC1(C)OCCC(=C1)c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)17-11-20-23(30-13-17)34-21-6-5-15(18-4-3-8-29-22(18)27)10-19(21)26(20)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1 PVRPBUIVTLGNNB-SANMLTNESA-N 50031621 CHEMBL3359755 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997503 313066114 CHEMBL3359755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246258 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1CCOCC1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/m0/s1 YAIILFXOQLIACI-DEOSSOPVSA-N 50031622 CHEMBL3359754 Beta-secretase 1 Homo sapiens 5.6 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997377 313066115 CHEMBL3359754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246259 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-21-17(4-1-7-27-21)14-5-6-20-18(9-14)24(13-31-23(26)29-24)19-10-16(11-28-22(19)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/m0/s1 HPMNONWWSUHESS-DEOSSOPVSA-N 50031623 CHEMBL3359753 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464695 313066116 CHEMBL3359753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246260 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1 NBQMQFRPAJCJKY-DEOSSOPVSA-N 50031624 CHEMBL3359752 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118723827 313066117 CHEMBL3359752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246261 COC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H23FN4O4/c1-23(2,30-3)12-31-15-10-18-21(28-11-15)33-19-7-6-14(16-5-4-8-27-20(16)25)9-17(19)24(18)13-32-22(26)29-24/h4-11H,12-13H2,1-3H3,(H2,26,29)/t24-/m0/s1 GXOBAIFEPOPJJA-DEOSSOPVSA-N 50031625 CHEMBL3359751 Beta-secretase 1 Homo sapiens 1.8 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89512731 313066118 CHEMBL3359751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246262 CC(C)(C)COc1ccc2Oc3ncc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H23N5O3/c1-22(2,3)11-29-16-4-5-19-17(7-16)23(12-30-21(24)28-23)18-6-14(10-27-20(18)31-19)15-8-25-13-26-9-15/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/m1/s1 CFGIPEFZRVYXID-HSZRJFAPSA-N 50031626 CHEMBL3359750 Beta-secretase 1 Homo sapiens 248 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998216 313066119 CHEMBL3359750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246263 CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F InChI=1S/C24H23FN4O3/c1-23(2,3)12-30-15-10-18-21(28-11-15)32-19-7-6-14(16-5-4-8-27-20(16)25)9-17(19)24(18)13-31-22(26)29-24/h4-11H,12-13H2,1-3H3,(H2,26,29)/t24-/m0/s1 AVVKTTRYZQZYQY-DEOSSOPVSA-N 50031627 CHEMBL3359749 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997423 313066120 CHEMBL3359749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246264 CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 InChI=1S/C24H24N4O3/c1-23(2,3)13-29-17-10-19-21(27-12-17)31-20-7-6-15(16-5-4-8-26-11-16)9-18(20)24(19)14-30-22(25)28-24/h4-12H,13-14H2,1-3H3,(H2,25,28)/t24-/m0/s1 MALUDQJRFWLZQG-DEOSSOPVSA-N 50031628 CHEMBL3359748 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254130 313066121 CHEMBL3359748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246265 CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C23H23N5O3/c1-22(2,3)11-29-16-7-18-20(27-10-16)31-19-5-4-14(15-8-25-13-26-9-15)6-17(19)23(18)12-30-21(24)28-23/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/m0/s1 RZWUVNLTQGLJCA-QHCPKHFHSA-N 50031629 CHEMBL3359747 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118723826 313066122 CHEMBL3359747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50246266 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 CHZHWZAKWGFQNL-DEOSSOPVSA-N 50031612 CHEMBL3354688 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/jm5012676 10.7270/Q20G3MRW 25363711 Dineen, TA; Chen, K; Cheng, AC; Derakhchan, K; Epstein, O; Esmay, J; Hickman, D; Kreiman, CE; Marx, IE; Wahl, RC; Wen, PH; Weiss, MM; Whittington, DA; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LN 4RCE 45256109 313066105 CHEMBL3354688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022395 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1 WMBWREPUVVBILR-RXVVDRJESA-N 50135163 3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester::CHEMBL338988 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2824823 104025590 CHEMBL338988 ZINC03870415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022396 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 XMOCLSLCDHWDHP-SWLSCSKDSA-N 50135165 (+)-gallocatechin::(2R,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol::CHEMBL125743 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65084 104025592 71224 CHEMBL125743 C12127 ZINC03870338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022397 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1 WMBWREPUVVBILR-RXVVDRJESA-N 50135163 3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester::CHEMBL338988 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2824823 104025590 CHEMBL338988 ZINC03870415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022400 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 PFTAWBLQPZVEMU-ZFWWWQNUSA-N 50135167 (+)-epicatechin::(-) epicatechine::(2S,3S)-2-(3,4-Dihydroxy-phenyl)-chroman-3,5,7-triol::CHEMBL129482::Epicatechin Beta-secretase 1 Homo sapiens 28000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 182232 104025594 CHEMBL129482 C09728 ZINC00119978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022398 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1 WMBWREPUVVBILR-GHTZIAJQSA-N 50135168 3,4,5-Trihydroxy-benzoic acid (2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester::CHEMBL126079 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5276890 104025595 CHEMBL126079 ZINC03870414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022399 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 LSHVYAFMTMFKBA-FPOVZHCZSA-N 50135164 3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL126142 Beta-secretase 1 Homo sapiens 4500 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65056 104025591 CHEMBL126142 ZINC04544252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022401 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 PFTAWBLQPZVEMU-ZFWWWQNUSA-N 50135167 (+)-epicatechin::(-) epicatechine::(2S,3S)-2-(3,4-Dihydroxy-phenyl)-chroman-3,5,7-triol::CHEMBL129482::Epicatechin Beta-secretase 1 Homo sapiens 28000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 182232 104025594 CHEMBL129482 C09728 ZINC00119978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022402 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 LSHVYAFMTMFKBA-CTNGQTDRSA-N 50135169 (-)-Catechin gallate::(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::3,4,5-Trihydroxy-benzoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL129451 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6419835 104025596 CHEMBL129451 ZINC08681494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022403 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 LSHVYAFMTMFKBA-FPOVZHCZSA-N 50135164 3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL126142 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65056 104025591 CHEMBL126142 ZINC04544252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022404 O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OO[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 InChI=1S/C27H22O19/c28-9-1-6(2-10(29)16(9)32)24(39)44-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)46-45-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 NXNXSPPXUHVUAL-XIGLUPEJSA-N 50451740 CHEMBL2303749 Beta-secretase 1 Homo sapiens >160000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71719654 225145413 CHEMBL2303749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022405 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1 XMOCLSLCDHWDHP-WFASDCNBSA-N 50135171 (2S,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol::CHEMBL130415 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10425234 104025598 71227 CHEMBL130415 ZINC03870339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022406 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1 WMBWREPUVVBILR-GHTZIAJQSA-N 50135168 3,4,5-Trihydroxy-benzoic acid (2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester::CHEMBL126079 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5276890 104025595 CHEMBL126079 ZINC03870414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022407 OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1 BYVWXQRJRYELNP-AWKYBWMHSA-N 50084980 (+)-taxifolin::(-)-Epicatechol::(2R,3R)-(-)-Epicatechin::(2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one::(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one::(2R,3R)-dihydroquercetin::(2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone::CHEMBL66::L-Epicatechin Beta-secretase 1 Homo sapiens 35000 ChEMBL 10.1016/j.bmcl.2003.09.018 10.7270/Q28K78HN 14592472 Jeon, SY; Bae, K; Seong, YH; Song, KS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53708474 103984463 38747 CHEMBL66 ZINC00105086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262691 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1nc(C)cs1)C(C)C InChI=1S/C35H62N6O7S/c1-19(2)13-25(27(42)14-22(7)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)26(17-37-34(47)48-35(10,11)12)40-30(43)23(8)15-28-38-24(9)18-49-28/h18-23,25-27,29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,25+,26+,27+,29+/m1/s1 GUFJTLQVFGVMAQ-WGRPDLKCSA-N 50042296 CHEMBL3352906 Beta-secretase 1 Homo sapiens 0.250000 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90693645 103973902 CHEMBL3352906 ZINC13775701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262692 CC[C@@H](Cc1nc(C)cs1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C36H64N6O7S/c1-13-25(16-29-39-24(9)19-50-29)32(45)41-27(18-38-35(48)49-36(10,11)12)33(46)40-26(14-20(2)3)28(43)15-23(8)31(44)42-30(22(6)7)34(47)37-17-21(4)5/h19-23,25-28,30,43H,13-18H2,1-12H3,(H,37,47)(H,38,48)(H,40,46)(H,41,45)(H,42,44)/t23-,25+,26+,27+,28+,30+/m1/s1 GSLKZZYLMSKRCG-PLOVNWCASA-N 50042297 CHEMBL3361313 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59166662 103973903 CHEMBL3361313 ZINC13833627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262693 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1nc(C)cs1)C(C)C)C(C)C InChI=1S/C37H66N6O7S/c1-20(2)14-27(29(44)15-24(9)32(45)43-31(23(7)8)35(48)38-17-21(3)4)41-34(47)28(18-39-36(49)50-37(11,12)13)42-33(46)26(22(5)6)16-30-40-25(10)19-51-30/h19-24,26-29,31,44H,14-18H2,1-13H3,(H,38,48)(H,39,49)(H,41,47)(H,42,46)(H,43,45)/t24-,26-,27+,28+,29+,31+/m1/s1 COBOJBMHVOSHTJ-UUQCCNARSA-N 50042298 CHEMBL3361314 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724893 103973904 CHEMBL3361314 ZINC13833615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262688 CC[C@@H](Cc1csc(C)n1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C36H64N6O7S/c1-13-25(16-26-19-50-24(9)39-26)32(45)41-28(18-38-35(48)49-36(10,11)12)33(46)40-27(14-20(2)3)29(43)15-23(8)31(44)42-30(22(6)7)34(47)37-17-21(4)5/h19-23,25,27-30,43H,13-18H2,1-12H3,(H,37,47)(H,38,48)(H,40,46)(H,41,45)(H,42,44)/t23-,25+,27+,28+,29+,30+/m1/s1 DIHRAVZMEKMVQC-WQDGKYIDSA-N 50042295 CHEMBL3361312 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724892 103973901 CHEMBL3361312 ZINC13833635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262677 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29-,30+,34-/m1/s1 NIOCOJFPGCXNKL-WWPXKAJLSA-N 50042285 CHEMBL3361302 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724884 103973891 CHEMBL3361302 ZINC13775700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262678 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1 OFAZWNGNAATRSH-GWCXRDAXSA-N 16253 (3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-[(2-methylpropyl)carbamoyl]propyl]carbamoyl}heptan-4-yl]carbamoyl}-2-methanesulfonylethyl]carbamate::CHEMBL448008::N2-[(2R,4S,5S)-5-{[N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide::pyrazole-bearing inhibitor 5 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZPQ 2G94 6540293 46509499 CHEMBL448008 ZINC24805568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262679 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(C)C InChI=1S/C36H65N7O7/c1-20(2)14-27(29(44)15-23(7)31(45)41-30(22(5)6)34(48)37-17-21(3)4)39-33(47)28(18-38-35(49)50-36(11,12)13)40-32(46)24(8)19-43-26(10)16-25(9)42-43/h16,20-24,27-30,44H,14-15,17-19H2,1-13H3,(H,37,48)(H,38,49)(H,39,47)(H,40,46)(H,41,45)/t23-,24+,27+,28+,29+,30+/m1/s1 BYGMMEFZVPOQSO-JAYDILGYSA-N 50042286 CHEMBL3361303 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91154809 103973892 CHEMBL3361303 ZINC13833626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262680 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cn1nc(C)cc1C)C(C)C InChI=1S/C36H65N7O7/c1-20(2)14-27(29(44)15-23(7)31(45)41-30(22(5)6)34(48)37-17-21(3)4)39-33(47)28(18-38-35(49)50-36(11,12)13)40-32(46)24(8)19-43-26(10)16-25(9)42-43/h16,20-24,27-30,44H,14-15,17-19H2,1-13H3,(H,37,48)(H,38,49)(H,39,47)(H,40,46)(H,41,45)/t23-,24-,27+,28+,29+,30+/m1/s1 BYGMMEFZVPOQSO-QYCYNUJFSA-N 50042287 CHEMBL3361304 Beta-secretase 1 Homo sapiens 1640 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724885 103973893 CHEMBL3361304 ZINC13833641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262681 CC[C@@H](Cn1nc(C)cc1C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C37H67N7O7/c1-14-27(20-44-26(10)17-25(9)43-44)33(47)41-29(19-39-36(50)51-37(11,12)13)34(48)40-28(15-21(2)3)30(45)16-24(8)32(46)42-31(23(6)7)35(49)38-18-22(4)5/h17,21-24,27-31,45H,14-16,18-20H2,1-13H3,(H,38,49)(H,39,50)(H,40,48)(H,41,47)(H,42,46)/t24-,27+,28+,29+,30+,31+/m1/s1 ZFEBFROZYQKAQP-LJXNYGQKSA-N 50042288 CHEMBL3361305 Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59166665 103973894 CHEMBL3361305 ZINC08581080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262682 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cn1nc(C)cc1C)C(C)C)C(C)C InChI=1S/C38H69N7O7/c1-21(2)15-29(31(46)16-25(9)33(47)43-32(24(7)8)36(50)39-18-22(3)4)41-35(49)30(19-40-37(51)52-38(12,13)14)42-34(48)28(23(5)6)20-45-27(11)17-26(10)44-45/h17,21-25,28-32,46H,15-16,18-20H2,1-14H3,(H,39,50)(H,40,51)(H,41,49)(H,42,48)(H,43,47)/t25-,28-,29+,30+,31+,32+/m1/s1 SBBJNNODUNSWAY-AFQTZOCMSA-N 50042289 CHEMBL3361306 Beta-secretase 1 Homo sapiens 471 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724886 103973895 CHEMBL3361306 ZINC13833629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262683 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)Cn1nc(C)cc1C)C(C)C InChI=1S/C39H71N7O7/c1-22(2)15-29(21-46-28(11)18-27(10)45-46)35(49)43-31(20-41-38(52)53-39(12,13)14)36(50)42-30(16-23(3)4)32(47)17-26(9)34(48)44-33(25(7)8)37(51)40-19-24(5)6/h18,22-26,29-33,47H,15-17,19-21H2,1-14H3,(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,44,48)/t26-,29+,30+,31+,32+,33+/m1/s1 GWDHWJLBMIYKMZ-VCDNNQQPSA-N 50042290 CHEMBL3361307 Beta-secretase 1 Homo sapiens 148 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724887 103973896 CHEMBL3361307 ZINC13833634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262684 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cn1ccc(C)n1)C(C)C InChI=1S/C35H63N7O7/c1-20(2)15-26(28(43)16-23(7)30(44)40-29(22(5)6)33(47)36-17-21(3)4)38-32(46)27(18-37-34(48)49-35(10,11)12)39-31(45)24(8)19-42-14-13-25(9)41-42/h13-14,20-24,26-29,43H,15-19H2,1-12H3,(H,36,47)(H,37,48)(H,38,46)(H,39,45)(H,40,44)/t23-,24+,26+,27+,28+,29+/m1/s1 DKVHWAYOCMLPGZ-BSWWUHMMSA-N 50042291 CHEMBL3361308 Beta-secretase 1 Homo sapiens 201 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724888 103973897 CHEMBL3361308 ZINC13833621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262685 CSC[C@H](NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C32H58N6O5S/c1-18(2)12-25(27(39)13-21(7)29(40)36-28(20(5)6)32(43)33-15-19(3)4)34-31(42)26(17-44-11)35-30(41)22(8)16-38-24(10)14-23(9)37-38/h14,18-22,25-28,39H,12-13,15-17H2,1-11H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t21-,22+,25+,26+,27+,28+/m1/s1 CLBPZTAXADIGRW-WTOKIVCYSA-N 50042292 CHEMBL3361309 Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724889 103973898 CHEMBL3361309 C03800 ZINC13833624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262686 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(C)C InChI=1S/C32H58N6O7S/c1-18(2)12-25(27(39)13-21(7)29(40)36-28(20(5)6)32(43)33-15-19(3)4)34-31(42)26(17-46(11,44)45)35-30(41)22(8)16-38-24(10)14-23(9)37-38/h14,18-22,25-28,39H,12-13,15-17H2,1-11H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t21-,22+,25+,26+,27+,28+/m1/s1 SNCOADVREGHDOV-WTOKIVCYSA-N 50042293 CHEMBL3361310 Beta-secretase 1 Homo sapiens 192 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724890 103973899 CHEMBL3361310 ZINC13766813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50262687 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1csc(C)n1)C(C)C InChI=1S/C35H62N6O7S/c1-19(2)13-26(28(42)15-23(8)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)27(17-37-34(47)48-35(10,11)12)40-30(43)22(7)14-25-18-49-24(9)38-25/h18-23,26-29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,26-,27-,28-,29-/m0/s1 FIUSDDSADOIBSI-OZQKQSKASA-N 50042294 CHEMBL3361311 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2014.11.087 10.7270/Q2N58P0J 25537272 Ghosh, AK; Brindisi, M; Yen, YC; Xu, X; Huang, X; Devasamudram, T; Bilcer, G; Lei, H; Koelsch, G; Mesecar, AD; Tang, J Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118724891 103973900 CHEMBL3361311 ZINC13833625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286953 O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32) KHQJNNISNSNMII-UHFFFAOYSA-N 50056106 CHEMBL3326698 Beta-secretase 1 Homo sapiens 40100 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118711805 313069988 CHEMBL3326698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286954 O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33) APOYKHBRRMBQBD-UHFFFAOYSA-N 50056107 CHEMBL3326704 Beta-secretase 1 Homo sapiens 17200 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 101898808 313069989 CHEMBL3326704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286957 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34) JURGVCBNDJKKBG-UHFFFAOYSA-N 50056108 CHEMBL3326707 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118711813 313069990 CHEMBL3326707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286961 FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37) QTJIWFKUPQRREG-UHFFFAOYSA-N 50056109 CHEMBL3326709 Beta-secretase 1 Homo sapiens 22600 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118711815 313069991 CHEMBL3326709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286964 COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35) YZNFMAJDGODDBL-UHFFFAOYSA-N 50056110 CHEMBL3327246 Beta-secretase 1 Homo sapiens 20200 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118712170 313069992 CHEMBL3327246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286965 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C31H35N3O3/c1-21-15-16-28-22(19-21)20-25(31(36)37-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35) GTXHCBHNKKMLRW-UHFFFAOYSA-N 50056111 CHEMBL3327247 Beta-secretase 1 Homo sapiens 42800 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118712171 313069993 CHEMBL3327247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50286966 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 VFLDPWHFBUODDF-UHFFFAOYSA-N 50067040 ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)::(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one::(1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one::CHEMBL116438::cid_5281767::curcumin I::curcumine::curcurmin::diferuloylmethane Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.bmc.2014.06.057 10.7270/Q27M09KB 25088549 Sun, Q; Peng, DY; Yang, SG; Zhu, XL; Yang, WC; Yang, GF Central China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CC9 6HDR 969516 103961572 CHEMBL116438 ZINC00899824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294757 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1 IDBCBZJZWOIXAJ-DEOSSOPVSA-N 50061582 CHEMBL3394039 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254127 103957140 CHEMBL3394039 ZINC13775897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294770 CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)20-11-19-22(13-30-20)34-21-6-5-15(17-4-3-8-29-23(17)27)10-18(21)26(19)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1 CKJGKUPSYYISLV-SANMLTNESA-N 50061593 CHEMBL3394040 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997520 103957151 CHEMBL3394040 ZINC13775887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294771 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-22-16(4-1-7-27-22)14-5-6-20-17(9-14)24(13-31-23(26)29-24)18-10-19(28-11-21(18)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/m0/s1 IYTNNMPYEWDEHJ-DEOSSOPVSA-N 50061594 CHEMBL3394041 Beta-secretase 1 Homo sapiens 0.500000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465067 103957152 CHEMBL3394041 ZINC13775904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294859 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCOCC1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/m0/s1 GMSMNFLOLDTIQR-DEOSSOPVSA-N 50061595 CHEMBL3394042 Beta-secretase 1 Homo sapiens 7.1 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254508 103957153 CHEMBL3394042 ZINC27418364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294860 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCCOC1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-16(4-1-7-27-22)14-5-6-20-17(9-14)24(13-31-23(26)29-24)18-10-19(28-11-21(18)32-20)15-3-2-8-30-12-15/h1,4-7,9-11,15H,2-3,8,12-13H2,(H2,26,29)/t15?,24-/m0/s1 UHBPCOMKMBAFLR-YKHFMZSMSA-N 50061596 CHEMBL3394043 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725861 103957154 CHEMBL3394043 ZINC13775905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294861 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@@H]1CCCCO1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-15(4-3-8-27-22)14-6-7-19-16(10-14)24(13-31-23(26)29-24)17-11-18(28-12-21(17)32-19)20-5-1-2-9-30-20/h3-4,6-8,10-12,20H,1-2,5,9,13H2,(H2,26,29)/t20-,24-/m0/s1 ZWAFXLPYYDEGCG-RDPSFJRHSA-N 50061597 CHEMBL3394044 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725862 103957155 CHEMBL3394044 ZINC27420108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294862 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@H]1CCCCO1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-15(4-3-8-27-22)14-6-7-19-16(10-14)24(13-31-23(26)29-24)17-11-18(28-12-21(17)32-19)20-5-1-2-9-30-20/h3-4,6-8,10-12,20H,1-2,5,9,13H2,(H2,26,29)/t20-,24+/m1/s1 ZWAFXLPYYDEGCG-YKSBVNFPSA-N 50061598 CHEMBL3394045 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997744 103957156 CHEMBL3394045 ZINC06091650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294863 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C23H20FN5O3/c24-21-15(2-1-5-26-21)14-3-4-18-16(10-14)23(13-31-22(25)28-23)17-11-20(27-12-19(17)32-18)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1 TWORUQGCJKLJAV-QHCPKHFHSA-N 50061599 CHEMBL3394046 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725863 103957157 CHEMBL3394046 ZINC13775901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294864 CC1(C)CN(CCO1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 InChI=1S/C25H24FN5O3/c1-24(2)13-31(8-9-33-24)21-11-18-20(12-29-21)34-19-6-5-15(16-4-3-7-28-22(16)26)10-17(19)25(18)14-32-23(27)30-25/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,27,30)/t25-/m0/s1 PVJJFNSNIZOVEV-VWLOTQADSA-N 50061583 CHEMBL3394047 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997799 103957141 CHEMBL3394047 ZINC27418765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294865 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F InChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1 USDXESLWXNWPPR-DEOSSOPVSA-N 50061584 CHEMBL3394048 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464945 103957142 CHEMBL3394048 ZINC13775881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294866 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C23H18F3N5O2/c24-20-14(2-1-6-28-20)13-3-4-17-15(8-13)23(12-32-21(27)30-23)16-9-19(29-10-18(16)33-17)31-7-5-22(25,26)11-31/h1-4,6,8-10H,5,7,11-12H2,(H2,27,30)/t23-/m0/s1 NHLOKTOKJREQAY-QHCPKHFHSA-N 50061585 CHEMBL3394049 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466300 103957143 CHEMBL3394049 ZINC43888181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294867 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@H](F)C1)-c1cccnc1F InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23-/m0/s1 PAIABGAVVGLGOL-PSLXWICFSA-N 50061586 CHEMBL3394050 Beta-secretase 1 Homo sapiens 2.7 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464941 103957144 CHEMBL3394050 ZINC13775885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294868 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23+/m1/s1 PAIABGAVVGLGOL-FATZIPQQSA-N 50061587 CHEMBL3394051 Beta-secretase 1 Homo sapiens 0.500000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725864 103957145 CHEMBL3394051 ZINC13775898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294869 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccc1)-c1cccnc1F InChI=1S/C25H17FN4O2/c26-23-17(7-4-10-28-23)16-8-9-21-18(11-16)25(14-31-24(27)30-25)19-12-20(29-13-22(19)32-21)15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,30)/t25-/m0/s1 HIIPZOQRFDBJLI-VWLOTQADSA-N 50061588 CHEMBL3394052 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998122 103957146 CHEMBL3394052 ZINC13775894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294870 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccn1)-c1cccnc1F InChI=1S/C24H16FN5O2/c25-22-15(4-3-9-28-22)14-6-7-20-16(10-14)24(13-31-23(26)30-24)17-11-19(29-12-21(17)32-20)18-5-1-2-8-27-18/h1-12H,13H2,(H2,26,30)/t24-/m0/s1 HLFDPFRAZPVEKE-DEOSSOPVSA-N 50061589 CHEMBL3394053 Beta-secretase 1 Homo sapiens 3.8 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998237 103957147 CHEMBL3394053 ZINC13775889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294871 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F InChI=1S/C24H16FN5O2/c25-22-16(4-2-8-28-22)14-5-6-20-17(9-14)24(13-31-23(26)30-24)18-10-19(29-12-21(18)32-20)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)/t24-/m0/s1 OMUSIEAIODSWLE-DEOSSOPVSA-N 50061590 CHEMBL3394054 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254505 103957148 CHEMBL3394054 ZINC13775902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294872 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F InChI=1S/C24H16FN5O2/c25-22-16(2-1-7-28-22)15-3-4-20-17(10-15)24(13-31-23(26)30-24)18-11-19(29-12-21(18)32-20)14-5-8-27-9-6-14/h1-12H,13H2,(H2,26,30)/t24-/m0/s1 JPLLCRNRSHLGBN-DEOSSOPVSA-N 50061591 CHEMBL3394055 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254506 103957149 CHEMBL3394055 ZINC27413614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294873 Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 InChI=1S/C25H18FN5O2/c1-14-9-16(6-8-28-14)20-11-19-22(12-30-20)33-21-5-4-15(17-3-2-7-29-23(17)26)10-18(21)25(19)13-32-24(27)31-25/h2-12H,13H2,1H3,(H2,27,31)/t25-/m0/s1 DMYNPXQDQNLGFR-VWLOTQADSA-N 50061592 CHEMBL3394056 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89512686 103957150 CHEMBL3394056 ZINC13775879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294874 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 LEFDLEYZSDTVMO-DEOSSOPVSA-N 50061580 CHEMBL3394057 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43K 4XKX 58466119 103957138 CHEMBL3394057 ZINC13775891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294875 NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 InChI=1S/C25H20FN3O3/c26-23-18(2-1-9-28-23)17-4-6-22-20(13-17)25(14-31-24(27)29-25)19-12-16(3-5-21(19)32-22)15-7-10-30-11-8-15/h1-7,9,12-13H,8,10-11,14H2,(H2,27,29)/t25-/m1/s1 AXYBCGSXWXDRFQ-RUZDIDTESA-N 50061581 CHEMBL3394058 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464943 103957139 CHEMBL3394058 ZINC13775890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294876 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/m0/s1 UBJVRJGPVXTXQB-VWLOTQADSA-N 50032737 CHEMBL3354718 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LO 4RCF 45254900 103941192 CHEMBL3354718 ZINC36349926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294877 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1 IDBCBZJZWOIXAJ-DEOSSOPVSA-N 50061582 CHEMBL3394039 Beta-secretase 1 Homo sapiens 4.2 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254127 103957140 CHEMBL3394039 ZINC13775897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294878 CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)20-11-19-22(13-30-20)34-21-6-5-15(17-4-3-8-29-23(17)27)10-18(21)26(19)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1 CKJGKUPSYYISLV-SANMLTNESA-N 50061593 CHEMBL3394040 Beta-secretase 1 Homo sapiens 7.4 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997520 103957151 CHEMBL3394040 ZINC13775887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294879 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C24H19FN4O3/c25-22-16(4-1-7-27-22)14-5-6-20-17(9-14)24(13-31-23(26)29-24)18-10-19(28-11-21(18)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/m0/s1 IYTNNMPYEWDEHJ-DEOSSOPVSA-N 50061594 CHEMBL3394041 Beta-secretase 1 Homo sapiens 7.9 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465067 103957152 CHEMBL3394041 ZINC13775904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294880 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCOCC1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/m0/s1 GMSMNFLOLDTIQR-DEOSSOPVSA-N 50061595 CHEMBL3394042 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254508 103957153 CHEMBL3394042 ZINC27418364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294881 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCCOC1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-16(4-1-7-27-22)14-5-6-20-17(9-14)24(13-31-23(26)29-24)18-10-19(28-11-21(18)32-20)15-3-2-8-30-12-15/h1,4-7,9-11,15H,2-3,8,12-13H2,(H2,26,29)/t15?,24-/m0/s1 UHBPCOMKMBAFLR-YKHFMZSMSA-N 50061596 CHEMBL3394043 Beta-secretase 1 Homo sapiens 123 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725861 103957154 CHEMBL3394043 ZINC13775905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294882 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@@H]1CCCCO1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-15(4-3-8-27-22)14-6-7-19-16(10-14)24(13-31-23(26)29-24)17-11-18(28-12-21(17)32-19)20-5-1-2-9-30-20/h3-4,6-8,10-12,20H,1-2,5,9,13H2,(H2,26,29)/t20-,24-/m0/s1 ZWAFXLPYYDEGCG-RDPSFJRHSA-N 50061597 CHEMBL3394044 Beta-secretase 1 Homo sapiens 112 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725862 103957155 CHEMBL3394044 ZINC27420108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294883 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@H]1CCCCO1)-c1cccnc1F InChI=1S/C24H21FN4O3/c25-22-15(4-3-8-27-22)14-6-7-19-16(10-14)24(13-31-23(26)29-24)17-11-18(28-12-21(17)32-19)20-5-1-2-9-30-20/h3-4,6-8,10-12,20H,1-2,5,9,13H2,(H2,26,29)/t20-,24+/m1/s1 ZWAFXLPYYDEGCG-YKSBVNFPSA-N 50061598 CHEMBL3394045 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997744 103957156 CHEMBL3394045 ZINC06091650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294884 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C23H20FN5O3/c24-21-15(2-1-5-26-21)14-3-4-18-16(10-14)23(13-31-22(25)28-23)17-11-20(27-12-19(17)32-18)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1 TWORUQGCJKLJAV-QHCPKHFHSA-N 50061599 CHEMBL3394046 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725863 103957157 CHEMBL3394046 ZINC13775901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294885 CC1(C)CN(CCO1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 InChI=1S/C25H24FN5O3/c1-24(2)13-31(8-9-33-24)21-11-18-20(12-29-21)34-19-6-5-15(16-4-3-7-28-22(16)26)10-17(19)25(18)14-32-23(27)30-25/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,27,30)/t25-/m0/s1 PVJJFNSNIZOVEV-VWLOTQADSA-N 50061583 CHEMBL3394047 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89997799 103957141 CHEMBL3394047 ZINC27418765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294886 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F InChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1 USDXESLWXNWPPR-DEOSSOPVSA-N 50061584 CHEMBL3394048 Beta-secretase 1 Homo sapiens 8.7 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464945 103957142 CHEMBL3394048 ZINC13775881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294887 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C23H18F3N5O2/c24-20-14(2-1-6-28-20)13-3-4-17-15(8-13)23(12-32-21(27)30-23)16-9-19(29-10-18(16)33-17)31-7-5-22(25,26)11-31/h1-4,6,8-10H,5,7,11-12H2,(H2,27,30)/t23-/m0/s1 NHLOKTOKJREQAY-QHCPKHFHSA-N 50061585 CHEMBL3394049 Beta-secretase 1 Homo sapiens 4.1 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466300 103957143 CHEMBL3394049 ZINC43888181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294888 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@H](F)C1)-c1cccnc1F InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23-/m0/s1 PAIABGAVVGLGOL-PSLXWICFSA-N 50061586 CHEMBL3394050 Beta-secretase 1 Homo sapiens 9.6 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464941 103957144 CHEMBL3394050 ZINC13775885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294889 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23+/m1/s1 PAIABGAVVGLGOL-FATZIPQQSA-N 50061587 CHEMBL3394051 Beta-secretase 1 Homo sapiens 4.9 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725864 103957145 CHEMBL3394051 ZINC13775898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294890 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccc1)-c1cccnc1F InChI=1S/C25H17FN4O2/c26-23-17(7-4-10-28-23)16-8-9-21-18(11-16)25(14-31-24(27)30-25)19-12-20(29-13-22(19)32-21)15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,30)/t25-/m0/s1 HIIPZOQRFDBJLI-VWLOTQADSA-N 50061588 CHEMBL3394052 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998122 103957146 CHEMBL3394052 ZINC13775894 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294891 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccn1)-c1cccnc1F InChI=1S/C24H16FN5O2/c25-22-15(4-3-9-28-22)14-6-7-20-16(10-14)24(13-31-23(26)30-24)17-11-19(29-12-21(17)32-20)18-5-1-2-8-27-18/h1-12H,13H2,(H2,26,30)/t24-/m0/s1 HLFDPFRAZPVEKE-DEOSSOPVSA-N 50061589 CHEMBL3394053 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89998237 103957147 CHEMBL3394053 ZINC13775889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294892 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F InChI=1S/C24H16FN5O2/c25-22-16(4-2-8-28-22)14-5-6-20-17(9-14)24(13-31-23(26)30-24)18-10-19(29-12-21(18)32-20)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)/t24-/m0/s1 OMUSIEAIODSWLE-DEOSSOPVSA-N 50061590 CHEMBL3394054 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254505 103957148 CHEMBL3394054 ZINC13775902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294893 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F InChI=1S/C24H16FN5O2/c25-22-16(2-1-7-28-22)15-3-4-20-17(10-15)24(13-31-23(26)30-24)18-11-19(29-12-21(18)32-20)14-5-8-27-9-6-14/h1-12H,13H2,(H2,26,30)/t24-/m0/s1 JPLLCRNRSHLGBN-DEOSSOPVSA-N 50061591 CHEMBL3394055 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45254506 103957149 CHEMBL3394055 ZINC27413614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294894 Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 InChI=1S/C25H18FN5O2/c1-14-9-16(6-8-28-14)20-11-19-22(12-30-20)33-21-5-4-15(17-3-2-7-29-23(17)26)10-18(21)25(19)13-32-24(27)31-25/h2-12H,13H2,1H3,(H2,27,31)/t25-/m0/s1 DMYNPXQDQNLGFR-VWLOTQADSA-N 50061592 CHEMBL3394056 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89512686 103957150 CHEMBL3394056 ZINC13775879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294895 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 LEFDLEYZSDTVMO-DEOSSOPVSA-N 50061580 CHEMBL3394057 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43K 4XKX 58466119 103957138 CHEMBL3394057 ZINC13775891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294896 NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 InChI=1S/C25H20FN3O3/c26-23-18(2-1-9-28-23)17-4-6-22-20(13-17)25(14-31-24(27)29-25)19-12-16(3-5-21(19)32-22)15-7-10-30-11-8-15/h1-7,9,12-13H,8,10-11,14H2,(H2,27,29)/t25-/m1/s1 AXYBCGSXWXDRFQ-RUZDIDTESA-N 50061581 CHEMBL3394058 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464943 103957139 CHEMBL3394058 ZINC13775890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50294897 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/m0/s1 UBJVRJGPVXTXQB-VWLOTQADSA-N 50032737 CHEMBL3354718 Beta-secretase 1 Homo sapiens 4.1 ChEMBL 10.1016/j.bmcl.2014.12.092 10.7270/Q21G0NXQ 25613679 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LO 4RCF 45254900 103941192 CHEMBL3354718 ZINC36349926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50284125 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1 YOVGCKBDPOHLAV-CNIHBODFSA-N 98678 US8497286, 154 Beta-secretase 1 Homo sapiens >30000 ChEMBL 10.1021/ml500137b 10.7270/Q2WD4279 25050166 Ehara, T; Irie, O; Kosaka, T; Kanazawa, T; Breitenstein, W; Grosche, P; Ostermann, N; Suzuki, M; Kawakami, S; Konishi, K; Hitomi, Y; Toyao, A; Gunji, H; Cumin, F; Schiering, N; Wagner, T; Rigel, DF; Webb, RL; Maibaum, J; Yokokawa, F Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=98678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2Y9 4Q1N 25143506 164039922 ZINC96168509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295141 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F InChI=1S/C23H18F3N5O2/c24-13-5-7-31(10-13)18-9-16-19(21(26)29-18)33-17-4-3-12(14-2-1-6-28-20(14)25)8-15(17)23(16)11-32-22(27)30-23/h1-4,6,8-9,13H,5,7,10-11H2,(H2,27,30)/t13-,23+/m1/s1 COHIPDDBYDBFPY-ZLOXQWCVSA-N 50061831 CHEMBL3394227 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464567 103957381 CHEMBL3394227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295142 Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 InChI=1S/C23H15F2N5O3/c1-11-7-18(33-30-11)16-9-15-19(21(25)28-16)32-17-5-4-12(13-3-2-6-27-20(13)24)8-14(17)23(15)10-31-22(26)29-23/h2-9H,10H2,1H3,(H2,26,29)/t23-/m0/s1 XCKMTTIMJCPQJO-QHCPKHFHSA-N 50061835 CHEMBL3394228 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725977 103957385 CHEMBL3394228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295147 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-21-15(2-1-7-29-21)14-3-4-19-16(10-14)24(12-32-23(27)31-24)17-11-18(13-5-8-28-9-6-13)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 NQBWLDXCDRHLCJ-DEOSSOPVSA-N 50061893 CHEMBL3394212 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725970 103957441 CHEMBL3394212 ZINC27431345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295148 Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 InChI=1S/C25H17F2N5O2/c1-13-4-5-15(11-30-13)19-10-18-21(23(27)31-19)34-20-7-6-14(16-3-2-8-29-22(16)26)9-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1 ZULSSRSYNYTFLW-VWLOTQADSA-N 50061965 CHEMBL3394213 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465142 103957513 CHEMBL3394213 ZINC27439936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295149 Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 InChI=1S/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1 WOPYKMCXINJTDC-VWLOTQADSA-N 50061728 CHEMBL3394214 Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725971 103957278 CHEMBL3394214 ZINC13776001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295150 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F InChI=1S/C24H14F3N5O2/c25-20-13(3-1-7-29-20)12-5-6-18-15(9-12)24(11-33-23(28)32-24)16-10-17(31-22(27)19(16)34-18)14-4-2-8-30-21(14)26/h1-10H,11H2,(H2,28,32)/t24-/m0/s1 RBPRSPHHAIPMOL-DEOSSOPVSA-N 50061729 CHEMBL3394215 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725972 103957279 CHEMBL3394215 ZINC13776016 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295151 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F InChI=1S/C24H14F3N5O2/c25-19-6-4-13(10-30-19)17-9-16-20(22(27)31-17)34-18-5-3-12(14-2-1-7-29-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1 PCZDHXCSCIKBGH-DEOSSOPVSA-N 50061730 CHEMBL3394216 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725973 103957280 CHEMBL3394216 ZINC13776012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295152 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C24H14F3N5O2/c25-19-9-13(5-7-29-19)17-10-16-20(22(27)31-17)34-18-4-3-12(14-2-1-6-30-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1 PJZKRIUYQAGJRH-DEOSSOPVSA-N 50061731 CHEMBL3394217 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67387844 103957281 CHEMBL3394217 ZINC27426870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295153 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-11H,2-3,8,12H2,(H2,27,30)/t24-/m0/s1 CXEKKMGVKYONSU-DEOSSOPVSA-N 50061732 CHEMBL3394218 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725974 103957282 CHEMBL3394218 ZINC13776008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295154 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-14(4-3-8-28-21)13-6-7-18-15(10-13)24(12-32-23(27)30-24)16-11-17(19-5-1-2-9-31-19)29-22(26)20(16)33-18/h3-8,10-11H,1-2,9,12H2,(H2,27,30)/t24-/m0/s1 QTGBHMFEKAKYCO-DEOSSOPVSA-N 50061733 CHEMBL3394219 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725975 103957283 CHEMBL3394219 ZINC13776021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295155 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1 HGRWHBQLRXWSLV-DEOSSOPVSA-N 50061734 CHEMBL3394220 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67436561 103957284 CHEMBL3394220 ZINC13776015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295156 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-5,7,10-11H,6,8-9,12H2,(H2,27,30)/t24-/m0/s1 NNDVCBXULMNGBZ-DEOSSOPVSA-N 50061735 CHEMBL3394221 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464944 103957285 CHEMBL3394221 ZINC13775996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295157 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F InChI=1S/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/m0/s1 PUMHGEYDOSEWHZ-UUTCKOJZSA-N 50061736 CHEMBL3394222 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725976 103957286 CHEMBL3394222 ZINC27435300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295158 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F InChI=1S/C24H20F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,27,30)/t24-/m0/s1 GKNHZGHUSLOLRK-DEOSSOPVSA-N 50061737 CHEMBL3394223 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464882 103957287 CHEMBL3394223 ZINC53041013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295159 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/m0/s1 YXVGXICENHFHAT-QHCPKHFHSA-N 50061738 CHEMBL3394224 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466120 103957288 CHEMBL3394224 ZINC13776010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295160 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F InChI=1S/C24H19F4N5O2/c25-20-14(2-1-7-30-20)13-3-4-17-15(10-13)24(12-34-22(29)32-24)16-11-18(31-21(26)19(16)35-17)33-8-5-23(27,28)6-9-33/h1-4,7,10-11H,5-6,8-9,12H2,(H2,29,32)/t24-/m0/s1 XOMCGKPPVIBCNC-DEOSSOPVSA-N 50061775 CHEMBL3394225 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466295 103957325 CHEMBL3394225 ZINC27426381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295161 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C23H17F4N5O2/c24-19-13(2-1-6-29-19)12-3-4-16-14(8-12)23(11-33-21(28)31-23)15-9-17(30-20(25)18(15)34-16)32-7-5-22(26,27)10-32/h1-4,6,8-9H,5,7,10-11H2,(H2,28,31)/t23-/m0/s1 MDAFIYVGUWJYCU-QHCPKHFHSA-N 50061780 CHEMBL3394226 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464257 103957330 CHEMBL3394226 ZINC25757829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295162 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F InChI=1S/C23H18F3N5O2/c24-13-5-7-31(10-13)18-9-16-19(21(26)29-18)33-17-4-3-12(14-2-1-6-28-20(14)25)8-15(17)23(16)11-32-22(27)30-23/h1-4,6,8-9,13H,5,7,10-11H2,(H2,27,30)/t13-,23+/m1/s1 COHIPDDBYDBFPY-ZLOXQWCVSA-N 50061831 CHEMBL3394227 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464567 103957381 CHEMBL3394227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295163 Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 InChI=1S/C23H15F2N5O3/c1-11-7-18(33-30-11)16-9-15-19(21(25)28-16)32-17-5-4-12(13-3-2-6-27-20(13)24)8-14(17)23(15)10-31-22(26)29-23/h2-9H,10H2,1H3,(H2,26,29)/t23-/m0/s1 XCKMTTIMJCPQJO-QHCPKHFHSA-N 50061835 CHEMBL3394228 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725977 103957385 CHEMBL3394228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295164 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F InChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1 OKKAKGFUYCJYOI-VWLOTQADSA-N 50061874 CHEMBL3394210 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466122 312811019 CHEMBL3394210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295165 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F InChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1 OKKAKGFUYCJYOI-VWLOTQADSA-N 50061874 CHEMBL3394210 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466122 312811019 CHEMBL3394210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295166 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-21-15(4-2-8-29-21)13-5-6-19-16(9-13)24(12-32-23(27)31-24)17-10-18(14-3-1-7-28-11-14)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 XUNTYCYZPLKVGS-DEOSSOPVSA-N 50061890 CHEMBL3394211 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464571 312811020 CHEMBL3394211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295167 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-21-15(4-2-8-29-21)13-5-6-19-16(9-13)24(12-32-23(27)31-24)17-10-18(14-3-1-7-28-11-14)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 XUNTYCYZPLKVGS-DEOSSOPVSA-N 50061890 CHEMBL3394211 Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464571 312811020 CHEMBL3394211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295168 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F InChI=1S/C24H15F2N5O2/c25-21-15(2-1-7-29-21)14-3-4-19-16(10-14)24(12-32-23(27)31-24)17-11-18(13-5-8-28-9-6-13)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1 NQBWLDXCDRHLCJ-DEOSSOPVSA-N 50061893 CHEMBL3394212 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725970 103957441 CHEMBL3394212 ZINC27431345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295169 Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 InChI=1S/C25H17F2N5O2/c1-13-4-5-15(11-30-13)19-10-18-21(23(27)31-19)34-20-7-6-14(16-3-2-8-29-22(16)26)9-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1 ZULSSRSYNYTFLW-VWLOTQADSA-N 50061965 CHEMBL3394213 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465142 103957513 CHEMBL3394213 ZINC27439936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295170 Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 InChI=1S/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1 WOPYKMCXINJTDC-VWLOTQADSA-N 50061728 CHEMBL3394214 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725971 103957278 CHEMBL3394214 ZINC13776001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295171 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F InChI=1S/C24H14F3N5O2/c25-20-13(3-1-7-29-20)12-5-6-18-15(9-12)24(11-33-23(28)32-24)16-10-17(31-22(27)19(16)34-18)14-4-2-8-30-21(14)26/h1-10H,11H2,(H2,28,32)/t24-/m0/s1 RBPRSPHHAIPMOL-DEOSSOPVSA-N 50061729 CHEMBL3394215 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725972 103957279 CHEMBL3394215 ZINC13776016 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295172 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F InChI=1S/C24H14F3N5O2/c25-19-6-4-13(10-30-19)17-9-16-20(22(27)31-17)34-18-5-3-12(14-2-1-7-29-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1 PCZDHXCSCIKBGH-DEOSSOPVSA-N 50061730 CHEMBL3394216 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725973 103957280 CHEMBL3394216 ZINC13776012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295173 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F InChI=1S/C24H14F3N5O2/c25-19-9-13(5-7-29-19)17-10-16-20(22(27)31-17)34-18-4-3-12(14-2-1-6-30-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1 PJZKRIUYQAGJRH-DEOSSOPVSA-N 50061731 CHEMBL3394217 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67387844 103957281 CHEMBL3394217 ZINC27426870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295174 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-11H,2-3,8,12H2,(H2,27,30)/t24-/m0/s1 CXEKKMGVKYONSU-DEOSSOPVSA-N 50061732 CHEMBL3394218 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725974 103957282 CHEMBL3394218 ZINC13776008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295175 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-14(4-3-8-28-21)13-6-7-18-15(10-13)24(12-32-23(27)30-24)16-11-17(19-5-1-2-9-31-19)29-22(26)20(16)33-18/h3-8,10-11H,1-2,9,12H2,(H2,27,30)/t24-/m0/s1 QTGBHMFEKAKYCO-DEOSSOPVSA-N 50061733 CHEMBL3394219 Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725975 103957283 CHEMBL3394219 ZINC13776021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295176 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1 HGRWHBQLRXWSLV-DEOSSOPVSA-N 50061734 CHEMBL3394220 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67436561 103957284 CHEMBL3394220 ZINC13776015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295177 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-5,7,10-11H,6,8-9,12H2,(H2,27,30)/t24-/m0/s1 NNDVCBXULMNGBZ-DEOSSOPVSA-N 50061735 CHEMBL3394221 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464944 103957285 CHEMBL3394221 ZINC13775996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295178 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F InChI=1S/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/m0/s1 PUMHGEYDOSEWHZ-UUTCKOJZSA-N 50061736 CHEMBL3394222 Beta-secretase 1 Homo sapiens 105 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118725976 103957286 CHEMBL3394222 ZINC27435300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295179 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F InChI=1S/C24H20F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,27,30)/t24-/m0/s1 GKNHZGHUSLOLRK-DEOSSOPVSA-N 50061737 CHEMBL3394223 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464882 103957287 CHEMBL3394223 ZINC53041013 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295180 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F InChI=1S/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/m0/s1 YXVGXICENHFHAT-QHCPKHFHSA-N 50061738 CHEMBL3394224 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466120 103957288 CHEMBL3394224 ZINC13776010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295181 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F InChI=1S/C24H19F4N5O2/c25-20-14(2-1-7-30-20)13-3-4-17-15(10-13)24(12-34-22(29)32-24)16-11-18(31-21(26)19(16)35-17)33-8-5-23(27,28)6-9-33/h1-4,7,10-11H,5-6,8-9,12H2,(H2,29,32)/t24-/m0/s1 XOMCGKPPVIBCNC-DEOSSOPVSA-N 50061775 CHEMBL3394225 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58466295 103957325 CHEMBL3394225 ZINC27426381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50295182 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F InChI=1S/C23H17F4N5O2/c24-19-13(2-1-6-29-19)12-3-4-16-14(8-12)23(11-33-21(28)31-23)15-9-17(30-20(25)18(15)34-16)32-7-5-22(26,27)10-32/h1-4,6,8-9H,5,7,10-11H2,(H2,28,31)/t23-/m0/s1 MDAFIYVGUWJYCU-QHCPKHFHSA-N 50061780 CHEMBL3394226 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/ml500458t 10.7270/Q2CN75JG 25699151 Cheng, Y; Brown, J; Judd, TC; Lopez, P; Qian, W; Powers, TS; Chen, JJ; Bartberger, MD; Chen, K; Dunn, RT; Epstein, O; Fremeau, RT; Harried, S; Hickman, D; Hitchcock, SA; Luo, Y; Minatti, AE; Patel, VF; Vargas, HM; Wahl, RC; Weiss, MM; Wen, PH; White, RD; Whittington, DA; Zheng, XM; Wood, S Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50061780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53464257 103957330 CHEMBL3394226 ZINC25757829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50301585 C[C@]1(CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1)c1ccc2sccc2c1 InChI=1S/C28H26N4O2S/c1-28(23-10-11-24-21(15-23)12-13-35-24)16-25(33)32(27(29)31-28)18-20-8-5-9-22(14-20)26(34)30-17-19-6-3-2-4-7-19/h2-15H,16-18H2,1H3,(H2,29,31)(H,30,34)/t28-/m0/s1 CMYLUCRICUHSQW-NDEPHWFRSA-N 50065389 CHEMBL3401340 Beta-secretase 1 Homo sapiens 3821 ChEMBL 10.1016/j.bmcl.2015.02.003 10.7270/Q2X63PMJ 25728416 McKittrick, BA; Caldwell, JP; Bara, T; Boykow, G; Chintala, M; Clader, J; Czarniecki, M; Courneya, B; Duffy, R; Fleming, L; Giessert, R; Greenlee, WJ; Heap, C; Hong, L; Huang, Y; Iserloh, U; Josien, H; Khan, T; Korfmacher, W; Liang, X; Mazzola, R; Mitra, S; Moore, K; Orth, P; Rajagopalan, M; Roy, S; Sakwa, S; Strickland, C; Vaccaro, H; Voigt, J; Wang, H; Wong, J; Zhang, R; Zych, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70132509 103960321 CHEMBL3401340 ZINC36330324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50301586 CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1 InChI=1S/C23H28N4O2/c1-16(2)23(3)13-20(28)27(22(24)26-23)15-18-10-7-11-19(12-18)21(29)25-14-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H2,24,26)(H,25,29)/t23-/m0/s1 OFTSPVADFMQIGQ-QHCPKHFHSA-N 50065390 CHEMBL3401341 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.02.003 10.7270/Q2X63PMJ 25728416 McKittrick, BA; Caldwell, JP; Bara, T; Boykow, G; Chintala, M; Clader, J; Czarniecki, M; Courneya, B; Duffy, R; Fleming, L; Giessert, R; Greenlee, WJ; Heap, C; Hong, L; Huang, Y; Iserloh, U; Josien, H; Khan, T; Korfmacher, W; Liang, X; Mazzola, R; Mitra, S; Moore, K; Orth, P; Rajagopalan, M; Roy, S; Sakwa, S; Strickland, C; Vaccaro, H; Voigt, J; Wang, H; Wong, J; Zhang, R; Zych, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70X 4XX3 71738909 103960322 CHEMBL3401341 ZINC39107036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50301587 CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1 PGSGWIDQXZCHJL-FYSMJZIKSA-N 50065428 CHEMBL3401350 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.02.003 10.7270/Q2X63PMJ 25728416 McKittrick, BA; Caldwell, JP; Bara, T; Boykow, G; Chintala, M; Clader, J; Czarniecki, M; Courneya, B; Duffy, R; Fleming, L; Giessert, R; Greenlee, WJ; Heap, C; Hong, L; Huang, Y; Iserloh, U; Josien, H; Khan, T; Korfmacher, W; Liang, X; Mazzola, R; Mitra, S; Moore, K; Orth, P; Rajagopalan, M; Roy, S; Sakwa, S; Strickland, C; Vaccaro, H; Voigt, J; Wang, H; Wong, J; Zhang, R; Zych, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60149247 313071387 CHEMBL3401350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50302836 COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 XZJFCCNTHXFRPO-WUFINQPMSA-N 50066260 CHEMBL3400435 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.02.039 10.7270/Q2Z039TX 25782742 Lorthiois, E; Cumin, F; Ehrhardt, C; Kosaka, T; Sellner, H; Ostermann, N; Francotte, E; Wagner, T; Maibaum, J Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50066260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50066260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68448803 103960914 CHEMBL3400435 ZINC36273077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305072 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305073 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O InChI=1S/C44H65N7O11/c1-25(2)21-32(40(57)46-27(5)42(59)51(8)34(44(61)62)23-30-17-13-10-14-18-30)47-37(55)24-35(53)31(22-29-15-11-9-12-16-29)48-41(58)33(19-20-36(45)54)50(7)43(60)38(26(3)4)49-39(56)28(6)52/h9-18,25-28,31-35,38,52-53H,19-24H2,1-8H3,(H2,45,54)(H,46,57)(H,47,55)(H,48,58)(H,49,56)(H,61,62)/t27-,28-,31-,32-,33-,34+,35-,38-/m0/s1 VZRWUYQWJBSEAG-YGPBSGGXSA-N 50400218 CHEMBL2181018 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680448 163349242 CHEMBL2181018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305074 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/m0/s1 NXDIWJUYMKBICN-QDBLDGTHSA-N 50400214 CHEMBL2181022 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453880 163349238 CHEMBL2181022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305075 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C48H58N6O7/c1-31(2)24-41(46(58)50-32(3)47(59)54(4)42(26-34-18-10-6-11-19-34)48(60)61-30-35-20-12-7-13-21-35)52-44(56)29-43(55)40(25-33-16-8-5-9-17-33)53-45(57)38(49)28-37-27-36-22-14-15-23-39(36)51-37/h5-23,27,31-32,38,40-43,51,55H,24-26,28-30,49H2,1-4H3,(H,50,58)(H,52,56)(H,53,57)/t32-,38-,40-,41-,42+,43-/m0/s1 MMEFEYSHBGQAJK-MNXLBEPLSA-N 50067803 CHEMBL3400771 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728024 103962229 CHEMBL3400771 ZINC43888988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305076 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1=O)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O InChI=1S/C42H51N5O9/c1-26(2)21-33(39(52)43-27(3)40(53)46(4)34(42(55)56)23-29-15-9-6-10-16-29)44-36(49)25-35(48)32(22-28-13-7-5-8-14-28)45-38(51)30-17-11-18-31(24-30)41(54)47-20-12-19-37(47)50/h5-11,13-18,24,26-27,32-35,48H,12,19-23,25H2,1-4H3,(H,43,52)(H,44,49)(H,45,51)(H,55,56)/t27-,32-,33-,34+,35-/m0/s1 VWZVRNGTSBKQNR-SKVHGFQVSA-N 50067804 CHEMBL3400770 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728023 103962230 CHEMBL3400770 ZINC43382089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305077 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1=O)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C49H57N5O9/c1-32(2)26-40(46(59)50-33(3)47(60)53(4)41(28-35-18-10-6-11-19-35)49(62)63-31-36-20-12-7-13-21-36)51-43(56)30-42(55)39(27-34-16-8-5-9-17-34)52-45(58)37-22-14-23-38(29-37)48(61)54-25-15-24-44(54)57/h5-14,16-23,29,32-33,39-42,55H,15,24-28,30-31H2,1-4H3,(H,50,59)(H,51,56)(H,52,58)/t33-,39-,40-,41+,42-/m0/s1 UEKHMUPGNUHPIL-VQSAVZBASA-N 50067805 CHEMBL3400769 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728022 103962231 CHEMBL3400769 ZINC43911196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305078 CCCN(CCC)C(=O)c1cccc(n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O InChI=1S/C43H58N6O8/c1-7-22-49(23-8-2)42(55)33-21-15-20-32(45-33)39(52)47-34(25-30-16-11-9-12-17-30)37(50)27-38(51)46-35(24-28(3)4)40(53)44-29(5)41(54)48(6)36(43(56)57)26-31-18-13-10-14-19-31/h9-21,28-29,34-37,50H,7-8,22-27H2,1-6H3,(H,44,53)(H,46,51)(H,47,52)(H,56,57)/t29-,34-,35-,36+,37-/m0/s1 HLUGTBHLRKEFTP-GUKRFWIHSA-N 50067806 CHEMBL3400768 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728021 103962232 CHEMBL3400768 ZINC43919934 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305079 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O InChI=1S/C44H59N5O8/c1-7-22-49(23-8-2)43(55)34-21-15-20-33(27-34)40(52)47-35(25-31-16-11-9-12-17-31)38(50)28-39(51)46-36(24-29(3)4)41(53)45-30(5)42(54)48(6)37(44(56)57)26-32-18-13-10-14-19-32/h9-21,27,29-30,35-38,50H,7-8,22-26,28H2,1-6H3,(H,45,53)(H,46,51)(H,47,52)(H,56,57)/t30-,35-,36-,37+,38-/m0/s1 GQYBQXCZIULDCX-WSIPFNFKSA-N 50067807 CHEMBL3400767 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728020 103962233 CHEMBL3400767 ZINC44265092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305080 CCCN(CCC)C(=O)c1cccc(n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C50H64N6O8/c1-7-27-56(28-8-2)49(62)40-26-18-25-39(52-40)46(59)54-41(30-36-19-12-9-13-20-36)44(57)32-45(58)53-42(29-34(3)4)47(60)51-35(5)48(61)55(6)43(31-37-21-14-10-15-22-37)50(63)64-33-38-23-16-11-17-24-38/h9-26,34-35,41-44,57H,7-8,27-33H2,1-6H3,(H,51,60)(H,53,58)(H,54,59)/t35-,41-,42-,43+,44-/m0/s1 OBWRWCLDWCANLR-OGFZQHMMSA-N 50067808 CHEMBL3400766 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728019 103962234 CHEMBL3400766 ZINC49748594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305081 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C51H65N5O8/c1-7-27-56(28-8-2)50(62)41-26-18-25-40(32-41)47(59)54-42(30-37-19-12-9-13-20-37)45(57)33-46(58)53-43(29-35(3)4)48(60)52-36(5)49(61)55(6)44(31-38-21-14-10-15-22-38)51(63)64-34-39-23-16-11-17-24-39/h9-26,32,35-36,42-45,57H,7-8,27-31,33-34H2,1-6H3,(H,52,60)(H,53,58)(H,54,59)/t36-,42-,43-,44+,45-/m0/s1 CVWWOSLNBBIHTI-IGJKNTHDSA-N 50067813 CHEMBL3400765 Beta-secretase 1 Homo sapiens 1010 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728018 103962239 CHEMBL3400765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305082 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O InChI=1S/C35H50N4O8/c1-22(2)18-27(31(42)36-23(3)32(43)39(7)28(33(44)45)20-25-16-12-9-13-17-25)37-30(41)21-29(40)26(19-24-14-10-8-11-15-24)38-34(46)47-35(4,5)6/h8-17,22-23,26-29,40H,18-21H2,1-7H3,(H,36,42)(H,37,41)(H,38,46)(H,44,45)/t23-,26-,27-,28+,29-/m0/s1 HPNOZSLHTJSMGJ-OLTNKLSWSA-N 50067833 CHEMBL3400764 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728017 103962259 CHEMBL3400764 ZINC36330364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305083 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C42H56N4O8/c1-28(2)23-34(44-37(48)26-36(47)33(24-30-17-11-8-12-18-30)45-41(52)54-42(4,5)6)38(49)43-29(3)39(50)46(7)35(25-31-19-13-9-14-20-31)40(51)53-27-32-21-15-10-16-22-32/h8-22,28-29,33-36,47H,23-27H2,1-7H3,(H,43,49)(H,44,48)(H,45,52)/t29-,33-,34-,35+,36-/m0/s1 VCBCFZQRTPPAPG-BEOMBHOOSA-N 50067855 CHEMBL3400763 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728016 103962281 CHEMBL3400763 ZINC03978026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305084 COC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C31H42N4O8/c1-20(2)28(34-31(41)43-19-22-13-9-6-10-14-22)30(40)35(3)24(15-16-26(32)37)29(39)33-23(25(36)18-27(38)42-4)17-21-11-7-5-8-12-21/h5-14,20,23-25,28,36H,15-19H2,1-4H3,(H2,32,37)(H,33,39)(H,34,41)/t23-,24-,25-,28-/m0/s1 VRAYKXKUZHNRTF-MGDCHWCSSA-N 50067934 CHEMBL3400761 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728014 313045066 CHEMBL3400761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305085 COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C InChI=1S/C23H36N2O6/c1-15(2)12-18(21(28)30-6)24-20(27)14-19(26)17(13-16-10-8-7-9-11-16)25-22(29)31-23(3,4)5/h7-11,15,17-19,26H,12-14H2,1-6H3,(H,24,27)(H,25,29)/t17-,18-,19-/m0/s1 CSLZEVQWKVINIA-FHWLQOOXSA-N 50067936 CHEMBL3400760 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10717792 103962361 CHEMBL3400760 ZINC27522258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305086 COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)OCc1ccccc1 InChI=1S/C32H44N4O8/c1-21(2)17-25(31(41)43-4)34-29(39)19-27(37)24(18-22-11-7-5-8-12-22)35-30(40)26(15-16-28(33)38)36(3)32(42)44-20-23-13-9-6-10-14-23/h5-14,21,24-27,37H,15-20H2,1-4H3,(H2,33,38)(H,34,39)(H,35,40)/t24-,25-,26-,27-/m0/s1 YKKIZXPPMVJIEW-FWEHEUNISA-N 50067941 CHEMBL3400759 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728013 313071872 CHEMBL3400759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305087 COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C37H53N5O9/c1-23(2)19-28(36(48)50-6)39-32(45)21-30(43)27(20-25-13-9-7-10-14-25)40-34(46)29(17-18-31(38)44)42(5)35(47)33(24(3)4)41-37(49)51-22-26-15-11-8-12-16-26/h7-16,23-24,27-30,33,43H,17-22H2,1-6H3,(H2,38,44)(H,39,45)(H,40,46)(H,41,49)/t27-,28-,29-,30-,33-/m0/s1 FWKUPMIUYQQJPN-UGNXYXNMSA-N 50067942 CHEMBL3400758 Beta-secretase 1 Homo sapiens 4460 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728012 313071873 CHEMBL3400758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305088 COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C InChI=1S/C26H41N3O7/c1-16(2)13-20(23(32)27-17(3)24(33)35-7)28-22(31)15-21(30)19(14-18-11-9-8-10-12-18)29-25(34)36-26(4,5)6/h8-12,16-17,19-21,30H,13-15H2,1-7H3,(H,27,32)(H,28,31)(H,29,34)/t17-,19-,20-,21-/m0/s1 WVNUIIZDQHPABQ-VMXMFDLUSA-N 50067943 CHEMBL3400757 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728011 313071874 CHEMBL3400757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305089 COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)OCc1ccccc1 InChI=1S/C35H49N5O9/c1-22(2)18-27(32(44)37-23(3)34(46)48-5)38-31(43)20-29(41)26(19-24-12-8-6-9-13-24)39-33(45)28(16-17-30(36)42)40(4)35(47)49-21-25-14-10-7-11-15-25/h6-15,22-23,26-29,41H,16-21H2,1-5H3,(H2,36,42)(H,37,44)(H,38,43)(H,39,45)/t23-,26-,27-,28-,29-/m0/s1 PORJMLHMPXSCQH-CPFNYCBMSA-N 50067944 CHEMBL3400756 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728010 313071875 CHEMBL3400756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305090 COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C40H58N6O10/c1-24(2)20-30(36(50)42-26(5)39(53)55-7)43-34(49)22-32(47)29(21-27-14-10-8-11-15-27)44-37(51)31(18-19-33(41)48)46(6)38(52)35(25(3)4)45-40(54)56-23-28-16-12-9-13-17-28/h8-17,24-26,29-32,35,47H,18-23H2,1-7H3,(H2,41,48)(H,42,50)(H,43,49)(H,44,51)(H,45,54)/t26-,29-,30-,31-,32-,35-/m0/s1 MMIMVMUCOGMDCK-OIJZNPKMSA-N 50067945 CHEMBL3400755 Beta-secretase 1 Homo sapiens 2610 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728009 313071876 CHEMBL3400755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305091 COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)OCc1ccccc1 InChI=1S/C45H60N6O10/c1-29(2)24-35(41(55)47-30(3)43(57)50(4)37(44(58)60-6)26-32-18-12-8-13-19-32)48-40(54)27-38(52)34(25-31-16-10-7-11-17-31)49-42(56)36(22-23-39(46)53)51(5)45(59)61-28-33-20-14-9-15-21-33/h7-21,29-30,34-38,52H,22-28H2,1-6H3,(H2,46,53)(H,47,55)(H,48,54)(H,49,56)/t30-,34-,35-,36-,37+,38-/m0/s1 DHFSUYDYGPXVJG-XEAYYWSPSA-N 50067946 CHEMBL3400754 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728008 313071877 CHEMBL3400754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50305092 COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C50H69N7O11/c1-31(2)26-38(45(61)52-33(5)47(63)57(7)40(49(65)67-8)28-35-20-14-10-15-21-35)53-43(60)29-41(58)37(27-34-18-12-9-13-19-34)54-46(62)39(24-25-42(51)59)56(6)48(64)44(32(3)4)55-50(66)68-30-36-22-16-11-17-23-36/h9-23,31-33,37-41,44,58H,24-30H2,1-8H3,(H2,51,59)(H,52,61)(H,53,60)(H,54,62)(H,55,66)/t33-,37-,38-,39-,40+,41-,44-/m0/s1 BLCZSRLIIJIIAR-BBBAFJLNSA-N 50067947 CHEMBL3400753 Beta-secretase 1 Homo sapiens 870 ChEMBL 10.1016/j.bmc.2015.03.034 10.7270/Q22N540B 25842365 Liu, J; Chen, W; Xu, Y; Ren, S; Zhang, W; Li, Y Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118728007 313071878 CHEMBL3400753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50301960 COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 WGHJKYWWSVIRLL-JYFHCDHNSA-N 50065660 CHEMBL3403995 Beta-secretase 1 Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.02.040 10.7270/Q2RF5WPJ 25754490 Sellner, H; Cottens, S; Cumin, F; Ehrhardt, C; Kosaka, T; Lorthiois, E; Ostermann, N; Webb, RL; Rigel, DF; Wagner, T; Maibaum, J Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3ZN 4RZ1 59271992 313071486 CHEMBL3403995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50298112 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 IOHHQCLTBSFSAT-WBAQKLHDSA-N 50157441 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid::CHEMBL183546 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2015.02.016 10.7270/Q2Z89F36 25736996 Hamada, Y; Miyamoto, N; Kiso, Y Kobe Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918785 104044436 CHEMBL183546 ZINC95606549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322722 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1 HUZWRILIHNBINL-HNXYLICVSA-N 142394 US8933221, 4 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VP 4WY6 71268741 251920387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322723 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C(F)F)c1ccc(F)cc1F InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1 JPLGMHYUAWBTII-OXSLBIJZSA-N 50078320 CHEMBL3414700::US9260455, 4 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507165 103970916 CHEMBL3414700 ZINC06176176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322724 CC(C)C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1 KSUADMBOPPDFIC-BNLOLNQZSA-N 50078321 CHEMBL3414711::US9260455, 7 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73388368 313073627 CHEMBL3414711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322725 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1F InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1 RHJJDGACVHKXNA-JJMVLAAESA-N 50078322 CHEMBL3414710 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593344 313073628 CHEMBL3414710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322726 CC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C15H18F2N2OS/c1-2-11-5-9-7-21-14(18)19-15(9,8-20-11)12-4-3-10(16)6-13(12)17/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,18,19)/t9-,11-,15-/m0/s1 LLMQRTLFGJQYQQ-ZSGNIPIJSA-N 50078323 CHEMBL3414709 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732791 313073629 CHEMBL3414709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322727 COC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1 AVYXEHSYNNACNZ-ISOBSLSZSA-N 50078324 CHEMBL3414708::US9260455, 8 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507384 313073630 CHEMBL3414708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322728 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1 OLZWOORXDWFBII-FZNYLWTLSA-N 50078349 CHEMBL3414707::US9260455, 3 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507167 313073631 CHEMBL3414707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322729 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1 CUNQNADGWRXYCV-SDBXPKJASA-N 142369 US8933221, 10 Beta-secretase 1 Homo sapiens 265 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VO 4WY1 71268850 251920364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322730 COC[C@@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13+/m1/s1 WRFZKUFJPBAFHG-OQPBUACISA-N 50078350 CHEMBL3414704 Beta-secretase 1 Homo sapiens 3940 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732789 313073632 CHEMBL3414704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322731 COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1 WRFZKUFJPBAFHG-SDBXPKJASA-N 50078351 CHEMBL3414703 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732788 313073633 CHEMBL3414703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322743 C[C@]1(CCSC(N)=N1)c1ccc(F)cc1F InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1 JRYNZJXSUKTLGF-NSHDSACASA-N 50078353 CHEMBL3414702 Beta-secretase 1 Homo sapiens 36000 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3WP 4X2L 90657111 313073635 CHEMBL3414702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322744 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1 HUZWRILIHNBINL-HNXYLICVSA-N 142394 US8933221, 4 Beta-secretase 1 Homo sapiens 1070 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VP 4WY6 71268741 251920387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322745 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C(F)F)c1ccc(F)cc1F InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1 JPLGMHYUAWBTII-OXSLBIJZSA-N 50078320 CHEMBL3414700::US9260455, 4 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507165 103970916 CHEMBL3414700 ZINC06176176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322746 CC(C)C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1 KSUADMBOPPDFIC-BNLOLNQZSA-N 50078321 CHEMBL3414711::US9260455, 7 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73388368 313073627 CHEMBL3414711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322747 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1F InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1 RHJJDGACVHKXNA-JJMVLAAESA-N 50078322 CHEMBL3414710 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593344 313073628 CHEMBL3414710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322748 CC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C15H18F2N2OS/c1-2-11-5-9-7-21-14(18)19-15(9,8-20-11)12-4-3-10(16)6-13(12)17/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,18,19)/t9-,11-,15-/m0/s1 LLMQRTLFGJQYQQ-ZSGNIPIJSA-N 50078323 CHEMBL3414709 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732791 313073629 CHEMBL3414709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322749 COC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1 AVYXEHSYNNACNZ-ISOBSLSZSA-N 50078324 CHEMBL3414708::US9260455, 8 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507384 313073630 CHEMBL3414708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322750 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1 OLZWOORXDWFBII-FZNYLWTLSA-N 50078349 CHEMBL3414707::US9260455, 3 Beta-secretase 1 Homo sapiens 700 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507167 313073631 CHEMBL3414707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322751 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1 CUNQNADGWRXYCV-SDBXPKJASA-N 142369 US8933221, 10 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=142369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3VO 4WY1 71268850 251920364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322752 NC1=N[C@]2(COC[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1 PKKALIJXXMXWQH-MADCSZMMSA-N 50078352 CHEMBL3414705 Beta-secretase 1 Homo sapiens 17200 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732790 313073634 CHEMBL3414705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322753 COC[C@@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13+/m1/s1 WRFZKUFJPBAFHG-OQPBUACISA-N 50078350 CHEMBL3414704 Beta-secretase 1 Homo sapiens 88000 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732789 313073632 CHEMBL3414704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322754 COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1 WRFZKUFJPBAFHG-SDBXPKJASA-N 50078351 CHEMBL3414703 Beta-secretase 1 Homo sapiens 21000 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732788 313073633 CHEMBL3414703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50322756 NC1=N[C@]2(COC[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1 PKKALIJXXMXWQH-MADCSZMMSA-N 50078352 CHEMBL3414705 Beta-secretase 1 Homo sapiens 375 ChEMBL 10.1021/jm501833t 10.7270/Q2W37Z1D 25695670 Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Eurofarma Laboratorios S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118732790 313073634 CHEMBL3414705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329836 Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1 JIAYOIBUKDISBO-IYPIGGPWSA-N 136574 US8865706, 13 Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76955651 249812900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329837 Cc1coc(n1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F3N3O2S/c1-9-7-25-16(23-9)14-5-12-15(6-19)27-17(22)24-18(12,8-26-14)11-3-2-10(20)4-13(11)21/h2-4,7,12,14-15H,5-6,8H2,1H3,(H2,22,24)/t12-,14+,15+,18+/m0/s1 LKLYLZSFUBTUBW-KDQZPGIASA-N 50081642 CHEMBL3422244 Beta-secretase 1 Homo sapiens 116 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081642 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329838 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1 AWKVMOUMPQXDPO-NPQNXCPHSA-N 136576 US8865706, 16 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136576 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329839 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1 HVEVDFRWOQHAPJ-CKMNQQOVSA-N 136570 US8865706, 9 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343364 249812896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329840 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1 OAFBAMRSEZLVDJ-CKMNQQOVSA-N 148176 US8962616, 22::US8962616, 4 Beta-secretase 1 Homo sapiens 103 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547070 252109064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329841 COC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H20F2N2O2S/c1-9-13-6-11(7-21-2)22-8-16(13,20-15(19)23-9)12-4-3-10(17)5-14(12)18/h3-5,9,11,13H,6-8H2,1-2H3,(H2,19,20)/t9-,11-,13+,16-/m1/s1 VWZBYKQRKVQAQK-QBTOZTBISA-N 50081643 CHEMBL3422240::US9260455, 2 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507168 313074384 CHEMBL3422240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329842 COC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1 AVYXEHSYNNACNZ-ISOBSLSZSA-N 50078324 CHEMBL3414708::US9260455, 8 Beta-secretase 1 Homo sapiens 855 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507384 313073630 CHEMBL3414708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329843 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cn[nH]c1)c1ccc(F)cc1F 50081644 CHEMBL3422239 Beta-secretase 1 Homo sapiens 599 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SI6 4XRZ 91757962 313074385 CHEMBL3422239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329844 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31) JBVZPXHGLQAXRZ-UHFFFAOYSA-N 41536 US8865706, 15 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SI5 4XRY,4XXS 72547320 249815361 ZINC08782552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329845 Cc1cc(on1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10-,14+,17-/m0/s1 APXCHRRPLFZFMP-IXBGWNDUSA-N 50081645 CHEMBL3422237 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71812189 313074386 CHEMBL3422237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329846 Cc1coc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-6-23-15(21-9)14-4-10-7-25-16(20)22-17(10,8-24-14)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,14H,4,7-8H2,1H3,(H2,20,22)/t10-,14+,17-/m0/s1 UAFMDFJKXYVYRS-IXBGWNDUSA-N 50081646 CHEMBL3422236 Beta-secretase 1 Homo sapiens 84 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547066 313074387 CHEMBL3422236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329847 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1 ITDPHYUDGLCWQU-VAHXTSCQSA-N 148173 US8962616, 1 Beta-secretase 1 Homo sapiens 614 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547065 252109061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329848 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1 HUZWRILIHNBINL-HNXYLICVSA-N 142394 US8933221, 4 Beta-secretase 1 Homo sapiens 1070 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142394 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329881 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1 OAFBAMRSEZLVDJ-CKMNQQOVSA-N 148176 US8962616, 22::US8962616, 4 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148176 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329882 C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1 HVEVDFRWOQHAPJ-CKMNQQOVSA-N 136570 US8865706, 9 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136570 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http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343366 249812902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329884 Cc1coc(n1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F3N3O2S/c1-9-7-25-16(23-9)14-5-12-15(6-19)27-17(22)24-18(12,8-26-14)11-3-2-10(20)4-13(11)21/h2-4,7,12,14-15H,5-6,8H2,1H3,(H2,22,24)/t12-,14+,15+,18+/m0/s1 LKLYLZSFUBTUBW-KDQZPGIASA-N 50081642 CHEMBL3422244 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081642 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329885 Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1 JIAYOIBUKDISBO-IYPIGGPWSA-N 136574 US8865706, 13 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136574 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329886 Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C18H19F3N4OS/c1-25-8-10(7-23-25)15-5-13-16(6-19)27-17(22)24-18(13,9-26-15)12-3-2-11(20)4-14(12)21/h2-4,7-8,13,15-16H,5-6,9H2,1H3,(H2,22,24)/t13-,15+,16+,18+/m0/s1 ZIBHVERILBHVJF-AAJLLMFJSA-N 136583 US8865706, 22 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343365 249812909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50329926 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31) JBVZPXHGLQAXRZ-UHFFFAOYSA-N 41536 US8865706, 15 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SI5 4XRY,4XXS 72547320 249815361 ZINC08782552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50330008 Cc1cc(on1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10-,14+,17-/m0/s1 APXCHRRPLFZFMP-IXBGWNDUSA-N 50081645 CHEMBL3422237 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71812189 313074386 CHEMBL3422237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50330009 Cc1coc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C17H17F2N3O2S/c1-9-6-23-15(21-9)14-4-10-7-25-16(20)22-17(10,8-24-14)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,14H,4,7-8H2,1H3,(H2,20,22)/t10-,14+,17-/m0/s1 UAFMDFJKXYVYRS-IXBGWNDUSA-N 50081646 CHEMBL3422236 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547066 313074387 CHEMBL3422236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50330010 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1 ITDPHYUDGLCWQU-VAHXTSCQSA-N 148173 US8962616, 1 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=148173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72547065 252109061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50330011 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1 HUZWRILIHNBINL-HNXYLICVSA-N 142394 US8933221, 4 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1021/acs.jmedchem.5b00191 10.7270/Q29W0H68 25781223 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142394 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http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=136583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86343365 249812909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338550 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H19N5OS/c1-11-18(12(2)25-24-11)17-7-16(23-19(20)26-17)14-5-3-4-13(6-14)15-8-21-10-22-9-15/h3-6,8-10,16-17H,7H2,1-2H3,(H2,20,23)/t16-,17-/m0/s1 OTJAZSWMNQGVHJ-IRXDYDNUSA-N 50088167 CHEMBL3427246 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118517237 313083707 CHEMBL3427246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338551 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1 ZNDAYQFTAYAHER-IRXDYDNUSA-N 50088170 CHEMBL3427247 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253316 313083708 CHEMBL3427247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338552 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C20H18N4OS2/c1-11-19(12(2)25-24-11)18-8-16(23-20(22)27-18)17-7-15(10-26-17)14-5-3-4-13(6-14)9-21/h3-7,10,16,18H,8H2,1-2H3,(H2,22,23)/t16-,18-/m0/s1 CEGMKFULIAKHNW-WMZOPIPTSA-N 50088171 CHEMBL3427248 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253302 313083709 CHEMBL3427248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338553 CC#Cc1cncc(c1)-c1csc(c1)[C@@H]1C[C@H](SC(N)=N1)c1c(C)noc1C InChI=1S/C21H20N4OS2/c1-4-5-14-6-15(10-23-9-14)16-7-18(27-11-16)17-8-19(28-21(22)24-17)20-12(2)25-26-13(20)3/h6-7,9-11,17,19H,8H2,1-3H3,(H2,22,24)/t17-,19-/m0/s1 JHXBUZHKTRBUPU-HKUYNNGSSA-N 50088172 CHEMBL3427249 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253304 313083710 CHEMBL3427249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338554 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C21H19BrFN5O2S/c1-10-19(11(2)30-28-10)18-8-17(27-21(24)31-18)14-7-13(4-5-15(14)23)26-20(29)16-6-3-12(22)9-25-16/h3-7,9,17-18H,8H2,1-2H3,(H2,24,27)(H,26,29)/t17-,18-/m0/s1 FUYTWXXAKIOQLY-ROUUACIJSA-N 50088173 CHEMBL3427250 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253299 313083711 CHEMBL3427250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338555 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)17-6-20(3,26-19(23)29-17)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1 UWUREBMKVJWTPP-PXNSSMCTSA-N 50088174 CHEMBL3427251 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5QV 5ENK 90253366 313083712 CHEMBL3427251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338638 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C InChI=1S/C22H21ClN4OS2/c1-5-6-14-7-15(11-25-10-14)17-8-16(23)20(29-17)22(4)9-18(30-21(24)26-22)19-12(2)27-28-13(19)3/h7-8,10-11,18H,9H2,1-4H3,(H2,24,26)/t18-,22-/m0/s1 JUKQEMGCHDDVPT-AVRDEDQJSA-N 50088175 CHEMBL3427252 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253342 313083713 CHEMBL3427252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338639 Cc1noc(CC(C)(C)O)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C19H23F2N3O2S/c1-10-16(14(26-24-10)8-18(2,3)25)15-9-19(4,23-17(22)27-15)12-6-5-11(20)7-13(12)21/h5-7,15,25H,8-9H2,1-4H3,(H2,22,23)/t15-,19-/m0/s1 ACFHKZODPNAMLG-KXBFYZLASA-N 50088176 CHEMBL3427253 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253371 313083714 CHEMBL3427253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50338640 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cccnc1C#N InChI=1S/C22H19F2N5OS/c1-11-20(12(2)30-29-11)19-9-22(3,28-21(26)31-19)15-7-14(16(23)8-17(15)24)13-5-4-6-27-18(13)10-25/h4-8,19H,9H2,1-3H3,(H2,26,28)/t19-,22-/m0/s1 MCYSRDKWCCPOAF-UGKGYDQZSA-N 50088177 CHEMBL3427254 Beta-secretase 1 Homo sapiens 87 ChEMBL 10.1021/acsmedchemlett.5b00003 10.7270/Q2JW8GMF 25941546 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253319 313083715 CHEMBL3427254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349905 NC1=NC2CCC(CC2CS1)NC(=O)c1ccccc1 InChI=1S/C15H19N3OS/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19) WGWSESJJAYIMCO-UHFFFAOYSA-N 50092472 CHEMBL3586138 Beta-secretase 1 Homo sapiens 21700 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180117 318473241 CHEMBL3586138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349906 NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1 InChI=1S/C14H17FN4OS/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20) PDBMBHJMZZEVFL-UHFFFAOYSA-N 50092467 CHEMBL3586137 Beta-secretase 1 Homo sapiens 37500 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180115 318473236 CHEMBL3586137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349907 NC1=NC2CCCCC2CS1 InChI=1S/C8H14N2S/c9-8-10-7-4-2-1-3-6(7)5-11-8/h6-7H,1-5H2,(H2,9,10) SZAFVQHJBWFBIQ-UHFFFAOYSA-N 50092473 CHEMBL3586134 Beta-secretase 1 Homo sapiens 4000000 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4RW 4ZSM 10329743 318473242 CHEMBL3586134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349908 NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18) OADYDVBNNUAOEU-UHFFFAOYSA-N 50092468 CHEMBL3586133 Beta-secretase 1 Homo sapiens 761 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180113 318473237 CHEMBL3586133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349909 NC1=NC23COCC2(CS1)CC(CC3)NC(=O)c1cccc(Cl)c1 InChI=1S/C17H20ClN3O2S/c18-12-3-1-2-11(6-12)14(22)20-13-4-5-17-9-23-8-16(17,7-13)10-24-15(19)21-17/h1-3,6,13H,4-5,7-10H2,(H2,19,21)(H,20,22) XDMHBNONUZHFDP-UHFFFAOYSA-N 50092469 CHEMBL3586132 Beta-secretase 1 Homo sapiens 36100 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180111 318473238 CHEMBL3586132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349910 NC1=N[C@]23CC[C@@H](C[C@@H]2[C@@H](COC3)S1)NC(=O)c1cccc(Cl)c1 InChI=1S/C17H20ClN3O2S/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22)/t12-,13+,14+,17-/m0/s1 SLYXQQNGVHPIRQ-CFAJVAMVSA-N 50092470 CHEMBL3586131 Beta-secretase 1 Homo sapiens 2250 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71714118 318473239 CHEMBL3586131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50349911 NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1 InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20) TUSBLKXHGGIFCU-UHFFFAOYSA-N 50092471 CHEMBL3586130 Beta-secretase 1 Homo sapiens 1830 ChEMBL 10.1016/j.bmc.2015.04.062 10.7270/Q2J67JNF 26001341 Winneroski, LL; Schiffler, MA; Erickson, JA; May, PC; Monk, SA; Timm, DE; Audia, JE; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hudziak, KJ; Klimkowski, VJ; Garcia Losada, P; Mathes, BM; Stout, SL; Watson, BM; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180108 318473240 CHEMBL3586130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350003 C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)\C=C\c4ccc(O)cc4)[C@]3(C)C(O)=O)[C@H]1CC[C@H]1C(C2)=CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]12C InChI=1S/C39H54O7/c1-35-19-16-30-37(3,21-18-32(39(30,5)34(44)45)46-33(43)15-8-24-6-10-26(41)11-7-24)28(35)14-12-27-25(22-35)9-13-29-36(27,2)20-17-31(42)38(29,4)23-40/h6-11,15,27-32,40-42H,12-14,16-23H2,1-5H3,(H,44,45)/b15-8+/t27-,28-,29+,30+,31+,32-,35-,36+,37+,38+,39+/m0/s1 BCAMKAQICOLQNL-BUSOGWCSSA-N 50092527 CHEMBL3586196 Beta-secretase 1 Homo sapiens 1070 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180159 318473259 CHEMBL3586196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350004 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)CC3=CC(=O)[C@@H]12 InChI=1S/C30H46O3/c1-26(2)21-10-13-28(5)17-18-16-20(31)25-27(3,4)24(33)11-14-29(25,6)19(18)8-9-22(28)30(21,7)15-12-23(26)32/h16,19,21-22,24-25,33H,8-15,17H2,1-7H3/t19-,21-,22-,24+,25-,28-,29+,30-/m0/s1 JQBGFIQMRGZVTJ-IMAUSQTQSA-N 50092529 CHEMBL3586197 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180160 318473260 CHEMBL3586197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350005 COc1ccc(cc1O)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@]4(O)[C@@H](O)C[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)[C@@]1(C)C(O)=O InChI=1S/C38H56O9/c1-33(2)27-19-29(41)38(45)20-34(3)15-12-25-35(4,24(34)10-11-26(38)36(27,5)16-13-28(33)40)17-14-30(37(25,6)32(43)44)47-31(42)21-8-9-23(46-7)22(39)18-21/h8-9,18,24-30,39-41,45H,10-17,19-20H2,1-7H3,(H,43,44)/t24-,25+,26+,27-,28+,29-,30-,34-,35+,36+,37+,38+/m0/s1 NBJOSEVZMRGBSS-WNRWCFFQSA-N 50092530 CHEMBL3586198 Beta-secretase 1 Homo sapiens 980 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180161 318473261 CHEMBL3586198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350006 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@@]4(O)CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@H]23)OC(C)=O)C1(C)C InChI=1S/C34H56O5/c1-21(35)38-27-14-17-32(8)23(29(27,3)4)12-16-31(7)20-34(37)19-13-24-30(5,6)28(39-22(2)36)15-18-33(24,9)26(34)11-10-25(31)32/h23-28,37H,10-20H2,1-9H3/t23-,24-,25-,26+,27-,28-,31-,32-,33-,34-/m0/s1 XCPGTDNRNMDRGQ-HYOWRBRKSA-N 50092531 CHEMBL3586199 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 101077957 318473262 CHEMBL3586199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350050 C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](O)[C@]3(C)C(O)=O)[C@H]1CC[C@H]1C(C2)=CC(=O)[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]12C InChI=1S/C30H46O6/c1-26-11-8-21-28(3,13-10-23(34)30(21,5)25(35)36)20(26)7-6-18-17(15-26)14-19(32)24-27(18,2)12-9-22(33)29(24,4)16-31/h14,18,20-24,31,33-34H,6-13,15-16H2,1-5H3,(H,35,36)/t18-,20-,21+,22+,23-,24+,26-,27+,28+,29-,30+/m0/s1 BATRMLNFDUPFQV-MTFRJUANSA-N 50092534 CHEMBL3586202 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44604353 318473265 CHEMBL3586202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350051 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 InChI=1S/C30H50O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-25,31-32H,9-18H2,1-7H3/t20-,21-,22-,23-,24+,25+,28-,29+,30-/m0/s1 FMUNNDDBCLRMSL-BMWRSPAGSA-N 50092535 CHEMBL3586203 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 21672659 318473266 CHEMBL3586203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350053 COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4[C@@](C)(CO)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 InChI=1S/C31H48O6/c1-27-12-9-22-29(3,14-11-24(35)31(22,5)26(36)37-6)21(27)8-7-19-18(16-27)15-20(33)25-28(19,2)13-10-23(34)30(25,4)17-32/h15,19,21-25,32,34-35H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24-,25+,27-,28+,29+,30-,31+/m0/s1 WWVFRAVFOHSRSP-CKYRRACTSA-N 50092536 LYCERNUIC KETONE A Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11114008 318473267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350054 C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)c4ccc(O)cc4)[C@]3(C)C(O)=O)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)[C@](C)(CO)[C@@H]3C[C@H](O)[C@@]1(O)C2 InChI=1S/C37H54O9/c1-32-15-12-24-33(2,17-14-29(36(24,5)31(43)44)46-30(42)21-6-8-22(39)9-7-21)23(32)10-11-25-34(3)16-13-27(40)35(4,20-38)26(34)18-28(41)37(25,45)19-32/h6-9,23-29,38-41,45H,10-20H2,1-5H3,(H,43,44)/t23-,24+,25+,26+,27+,28-,29-,32-,33+,34+,35+,36+,37+/m0/s1 DLEILUPSFMLCEI-OCSRNINYSA-N 50092537 CHEMBL3586204 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44604423 318473268 CHEMBL3586204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350055 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 InChI=1S/C30H52O3/c1-25(2)19-10-14-27(5)18-30(33)17-11-20-26(3,4)24(32)13-16-29(20,7)22(30)9-8-21(27)28(19,6)15-12-23(25)31/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24-,27-,28-,29-,30-/m0/s1 BLPHPSBSZGKMLY-WCHXXFKISA-N 50092538 CHEMBL3586205 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 101528287 318473269 CHEMBL3586205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350056 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)C(O)=O)CC3=CC(=O)[C@@H]12 InChI=1S/C30H46O5/c1-26(2)22(32)10-13-28(4)18-7-8-20-27(3,16-17(18)15-19(31)24(26)28)12-9-21-29(20,5)14-11-23(33)30(21,6)25(34)35/h15,18,20-24,32-33H,7-14,16H2,1-6H3,(H,34,35)/t18-,20-,21+,22+,23+,24-,27-,28+,29+,30+/m0/s1 PZUQEBIOBVCCSP-LPBYFKGCSA-N 50092539 CHEMBL3586206 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11260293 318473270 CHEMBL3586206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350058 CCCC[C@@H](O)\C=C\C=C\C(O)=O InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h4-5,7-9,11H,2-3,6H2,1H3,(H,12,13)/b7-4+,8-5+/t9-/m1/s1 LQLIXKNTFAWRFM-CXJQTXMHSA-N 50092540 CHEMBL3586207 Beta-secretase 1 Homo sapiens 6910 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180164 318473271 CHEMBL3586207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350059 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Beta-secretase 1 Homo sapiens 6500 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,3LM5,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350048 C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)CCc4ccc(O)cc4)[C@]3(C)C(O)=O)[C@H]1CC[C@H]1C(C2)=CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]12C InChI=1S/C39H56O7/c1-35-19-16-30-37(3,21-18-32(39(30,5)34(44)45)46-33(43)15-8-24-6-10-26(41)11-7-24)28(35)14-12-27-25(22-35)9-13-29-36(27,2)20-17-31(42)38(29,4)23-40/h6-7,9-11,27-32,40-42H,8,12-23H2,1-5H3,(H,44,45)/t27-,28-,29+,30+,31+,32-,35-,36+,37+,38+,39+/m0/s1 ZBQYGDWMJWSCCD-JIJPZTSSSA-N 50092532 CHEMBL3586200 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180162 318473263 CHEMBL3586200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50350049 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 InChI=1S/C30H50O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-25,31-32H,9-18H2,1-7H3/t20-,21-,22-,23-,24-,25+,28-,29+,30-/m0/s1 FMUNNDDBCLRMSL-AFFCZCIESA-N 50092533 CHEMBL3586201 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2015.04.080 10.7270/Q24X59JZ 26003344 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Catholic University of Daegu http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180163 318473264 CHEMBL3586201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354760 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1 CFIWWTUUSMMDDA-IQRKPKHNSA-N 50210579 (2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benzyl-5-(2-carboxyethyl)-17-(carboxymethyl)-13-hydroxy-14,20-diisobutyl-8-isopropyl-11-methyl-4,7,10,16,19,22-hexaoxo-3,6,9,15,18,21-hexaazahexacosane-1,26-dioic acid::CHEMBL390456::OM00-3 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 447068 104087082 CHEMBL390456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354761 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O InChI=1S/C60H89N11O19/c1-30(2)23-39(65-59(89)44(29-49(79)80)69-57(87)41(24-31(3)4)67-54(84)37(61)19-21-46(73)74)45(72)25-33(7)52(82)71-50(32(5)6)60(90)70-43(27-36-17-13-10-14-18-36)58(88)68-42(26-35-15-11-9-12-16-35)56(86)63-34(8)53(83)64-38(20-22-47(75)76)55(85)66-40(51(62)81)28-48(77)78/h9-18,30-34,37-45,50,72H,19-29,61H2,1-8H3,(H2,62,81)(H,63,86)(H,64,83)(H,65,89)(H,66,85)(H,67,84)(H,68,88)(H,69,87)(H,70,90)(H,71,82)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t33-,34+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1 WOZYNBSGWPZEBE-LAVLDKPHSA-N 50094976 CHEMBL3588999 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180628 318473560 CHEMBL3588999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354762 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O InChI=1S/C60H89N11O20/c1-29(2)22-39(65-59(90)44(28-49(80)81)69-57(88)41(23-30(3)4)67-54(85)37(61)18-20-46(74)75)45(73)24-32(7)52(83)71-50(31(5)6)60(91)70-43(25-34-12-10-9-11-13-34)58(89)68-42(26-35-14-16-36(72)17-15-35)56(87)63-33(8)53(84)64-38(19-21-47(76)77)55(86)66-40(51(62)82)27-48(78)79/h9-17,29-33,37-45,50,72-73H,18-28,61H2,1-8H3,(H2,62,82)(H,63,87)(H,64,84)(H,65,90)(H,66,86)(H,67,85)(H,68,89)(H,69,88)(H,70,91)(H,71,83)(H,74,75)(H,76,77)(H,78,79)(H,80,81)/t32-,33+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1 QYPZKGAQRCJRQN-WDYKYHLQSA-N 50094977 CHEMBL3589000 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180629 318473561 CHEMBL3589000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354763 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O InChI=1S/C62H91N11O21/c1-30(2)23-41(67-61(93)46(29-51(83)84)71-59(91)43(24-31(3)4)69-56(88)39(65-35(9)74)19-21-48(77)78)47(76)25-33(7)54(86)73-52(32(5)6)62(94)72-45(26-36-13-11-10-12-14-36)60(92)70-44(27-37-15-17-38(75)18-16-37)58(90)64-34(8)55(87)66-40(20-22-49(79)80)57(89)68-42(53(63)85)28-50(81)82/h10-18,30-34,39-47,52,75-76H,19-29H2,1-9H3,(H2,63,85)(H,64,90)(H,65,74)(H,66,87)(H,67,93)(H,68,89)(H,69,88)(H,70,92)(H,71,91)(H,72,94)(H,73,86)(H,77,78)(H,79,80)(H,81,82)(H,83,84)/t33-,34+,39+,40+,41+,42+,43+,44+,45+,46+,47+,52+/m1/s1 NEPHUDYRMYLGFC-DBXJSOEISA-N 50094978 CHEMBL3589001 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180630 318473562 CHEMBL3589001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354764 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C60H88N10O21/c1-29(2)22-39(64-58(88)43(27-48(77)78)67-56(86)40(23-30(3)4)65-53(83)37(61)18-20-46(73)74)45(72)24-32(7)51(81)70-50(31(5)6)59(89)68-42(25-34-12-10-9-11-13-34)57(87)66-41(26-35-14-16-36(71)17-15-35)55(85)62-33(8)52(82)63-38(19-21-47(75)76)54(84)69-44(60(90)91)28-49(79)80/h9-17,29-33,37-45,50,71-72H,18-28,61H2,1-8H3,(H,62,85)(H,63,82)(H,64,88)(H,65,83)(H,66,87)(H,67,86)(H,68,89)(H,69,84)(H,70,81)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,90,91)/t32-,33+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1 UOESAZIFUQNOCK-WDYKYHLQSA-N 50094979 CHEMBL3589002 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122180631 318473563 CHEMBL3589002 C02715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354770 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1 CFIWWTUUSMMDDA-IQRKPKHNSA-N 50210579 (2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benzyl-5-(2-carboxyethyl)-17-(carboxymethyl)-13-hydroxy-14,20-diisobutyl-8-isopropyl-11-methyl-4,7,10,16,19,22-hexaoxo-3,6,9,15,18,21-hexaazahexacosane-1,26-dioic acid::CHEMBL390456::OM00-3 Beta-secretase 1 Homo sapiens 0.310000 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 447068 104087082 CHEMBL390456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354771 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50354772 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1021/acs.jmedchem.5b00658 10.7270/Q2HX1FDQ 26061085 Vila-Real, H; Coelho, H; Rocha, J; Fernandes, A; Ventura, MR; Maycock, CD; Iranzo, O; Simplício, AL Instituto de Biologia Experimental e Tecnol£gica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367294 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CCC(N)=O)C(N)=O InChI=1S/C24H45N9O7/c1-12(2)10-17(18(35)11-20(37)32-15(21(26)38)7-8-19(25)36)33-22(39)13(3)30-23(40)16(31-14(4)34)6-5-9-29-24(27)28/h12-13,15-18,35H,5-11H2,1-4H3,(H2,25,36)(H2,26,38)(H,30,40)(H,31,34)(H,32,37)(H,33,39)(H4,27,28,29)/t13-,15-,16-,17-,18-/m0/s1 UDROVKLKMFNOQL-HILJTLORSA-N 50099148 CHEMBL3344151 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717559 318490570 CHEMBL3344151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367299 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C)C(N)=O InChI=1S/C22H42N8O6/c1-11(2)9-16(17(32)10-18(33)27-12(3)19(23)34)30-20(35)13(4)28-21(36)15(29-14(5)31)7-6-8-26-22(24)25/h11-13,15-17,32H,6-10H2,1-5H3,(H2,23,34)(H,27,33)(H,28,36)(H,29,31)(H,30,35)(H4,24,25,26)/t12-,13-,15-,16-,17-/m0/s1 UPPYJUDAFPKCEP-PTTAZLHSSA-N 50099171 CHEMBL3344152 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717561 103996089 CHEMBL3344152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367301 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)NCCCC(N)=O InChI=1S/C23H44N8O6.C2HF3O2/c1-13(2)11-17(18(33)12-20(35)27-9-6-8-19(24)34)31-21(36)14(3)29-22(37)16(30-15(4)32)7-5-10-28-23(25)26;3-2(4,5)1(6)7/h13-14,16-18,33H,5-12H2,1-4H3,(H2,24,34)(H,27,35)(H,29,37)(H,30,32)(H,31,36)(H4,25,26,28);(H,6,7)/t14-,16-,17-,18-;/m0./s1 MRLMOVIVGARCLI-ZXIWBMTBSA-N 50099236 CHEMBL3344153 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717562 103996154 CHEMBL3344153 ZINC13862689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367310 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C25H47N7O5.C2HF3O2/c1-15(2)13-20(21(34)14-22(35)31-18-9-6-5-7-10-18)32-23(36)16(3)29-24(37)19(30-17(4)33)11-8-12-28-25(26)27;3-2(4,5)1(6)7/h15-16,18-21,34H,5-14H2,1-4H3,(H,29,37)(H,30,33)(H,31,35)(H,32,36)(H4,26,27,28);(H,6,7)/t16-,19-,20-,21-;/m0./s1 YTWQSODCRADTMY-SPKBWDRKSA-N 50099237 CHEMBL3344154 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717564 103996155 CHEMBL3344154 ZINC29327038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367311 Cl.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C30H49N5O6.ClH/c1-20(2)17-25(26(36)18-27(37)33-23-13-8-5-9-14-23)34-28(38)21(3)32-29(39)24(15-10-16-31)35-30(40)41-19-22-11-6-4-7-12-22;/h4,6-7,11-12,20-21,23-26,36H,5,8-10,13-19,31H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40);1H/t21-,24-,25-,26-;/m0./s1 PYYUFPZRCPOZAZ-GTLVUJQOSA-N 50099238 CHEMBL3344155 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717566 103996156 CHEMBL3344155 ZINC13862703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367319 Cl.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C31H51N5O6.ClH/c1-21(2)18-26(27(37)19-28(38)34-24-14-8-5-9-15-24)35-29(39)22(3)33-30(40)25(16-10-11-17-32)36-31(41)42-20-23-12-6-4-7-13-23;/h4,6-7,12-13,21-22,24-27,37H,5,8-11,14-20,32H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41);1H/t22-,25-,26-,27-;/m0./s1 YXVYQRJRCAJVRN-RCWRDMIKSA-N 50099239 CHEMBL3344156 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717568 103996157 CHEMBL3344156 ZINC13862699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367326 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C11H13ClN3O5P/c12-6-1-2-9-8(3-6)14-10(4-7(13)11(16)17)15(9)5-21(18,19)20/h1-3,7H,4-5,13H2,(H,16,17)(H2,18,19,20)/t7-/m1/s1 IJESEVVUJRTURR-SSDOTTSWSA-N 50099240 CHEMBL3344157 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717570 103996158 CHEMBL3344157 ZINC01534018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367327 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C35H50N4O6/c1-24(2)21-30(31(40)22-32(41)37-28-17-11-6-12-18-28)38-33(42)25(3)36-34(43)29(20-19-26-13-7-4-8-14-26)39-35(44)45-23-27-15-9-5-10-16-27/h4-5,7-10,13-16,24-25,28-31,40H,6,11-12,17-23H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t25-,29-,30-,31-/m0/s1 OGEMGNVLYSBVOQ-OVOJMXFRSA-N 50099242 CHEMBL3344159 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717573 103996160 CHEMBL3344159 ZINC13862692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367333 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C29H30N2/c1-3-9-21(10-4-1)17-18-31-24-15-16-25(31)20-23(19-24)28-26-13-7-8-14-27(26)30-29(28)22-11-5-2-6-12-22/h1-14,23-25,30H,15-20H2/t23?,24-,25?/m1/s1 QOUVFTQPYVSKEQ-OADZCNSWSA-N 50099272 CHEMBL3344164 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717582 103996188 CHEMBL3344164 ZINC13862722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367339 OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C6H13O3S.HI/c1-10-3-4(8)6(9)5(10)2-7;/h4-9H,2-3H2,1H3;1H/q+1;/p-1/t4-,5-,6+,10?;/m1./s1 JROVVTMLFYHVFM-CXYWKTTNSA-M 50099378 CHEMBL3344165 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717584 103996294 CHEMBL3344165 ZINC34058234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367344 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C8H16O6S2/c9-5-8(14-16(11,12)13)7(10)6-15-3-1-2-4-15/h7-10H,1-6H2/t7-,8+/m0/s1 QXNXNKHSLNFQHT-JGVFFNPUSA-N 50099380 CHEMBL3344166 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717586 103996296 CHEMBL3344166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367345 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6?,7+,8?,9?,19?/m1/s1 SOWRVDSZMRPKRG-MRKAWAFJSA-N 50099381 CHEMBL3344261 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717648 103996297 CHEMBL3344261 ZINC28875113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367347 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCc1ccccc1 InChI=1S/C32H47N7O6/c1-21(2)17-26(27(40)18-28(41)36-19-23-11-6-4-7-12-23)38-29(42)22(3)37-30(43)25(15-10-16-35-31(33)34)39-32(44)45-20-24-13-8-5-9-14-24/h4-9,11-14,21-22,25-27,40H,10,15-20H2,1-3H3,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H4,33,34,35)/t22-,25-,26-,27-/m0/s1 DEBYPFMWQDSMAC-OXCFDMGDSA-N 50099387 CHEMBL3344262 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717651 318490573 CHEMBL3344262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367352 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1 InChI=1S/C33H49N7O6/c1-22(2)19-27(28(41)20-29(42)36-18-16-24-11-6-4-7-12-24)39-30(43)23(3)38-31(44)26(15-10-17-37-32(34)35)40-33(45)46-21-25-13-8-5-9-14-25/h4-9,11-14,22-23,26-28,41H,10,15-21H2,1-3H3,(H,36,42)(H,38,44)(H,39,43)(H,40,45)(H4,34,35,37)/t23-,26-,27-,28-/m0/s1 ANRXNIDAKJRWSN-WHHDSKRTSA-N 50099388 CHEMBL3344263 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717653 318490574 CHEMBL3344263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367361 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1Cc2ccccc2C1 InChI=1S/C34H49N7O6/c1-21(2)16-28(29(42)19-30(43)39-26-17-24-12-7-8-13-25(24)18-26)40-31(44)22(3)38-32(45)27(14-9-15-37-33(35)36)41-34(46)47-20-23-10-5-4-6-11-23/h4-8,10-13,21-22,26-29,42H,9,14-20H2,1-3H3,(H,38,45)(H,39,43)(H,40,44)(H,41,46)(H4,35,36,37)/t22-,27-,28-,29-/m0/s1 NHAQXUKTOUAZTH-OCDVNBFTSA-N 50099389 CHEMBL3344264 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717655 318490575 CHEMBL3344264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367362 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC(C)c1ccccc1 InChI=1S/C33H49N7O6/c1-21(2)18-27(28(41)19-29(42)37-22(3)25-14-9-6-10-15-25)39-30(43)23(4)38-31(44)26(16-11-17-36-32(34)35)40-33(45)46-20-24-12-7-5-8-13-24/h5-10,12-15,21-23,26-28,41H,11,16-20H2,1-4H3,(H,37,42)(H,38,44)(H,39,43)(H,40,45)(H4,34,35,36)/t22?,23-,26-,27-,28-/m0/s1 YDOJBFKQHYMMDX-CFZYQUFRSA-N 50099390 CHEMBL3344265 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717657 318490576 CHEMBL3344265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367373 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccc(Cl)cc1 InChI=1S/C33H48ClN7O6/c1-21(2)18-27(28(42)19-29(43)37-17-15-23-11-13-25(34)14-12-23)40-30(44)22(3)39-31(45)26(10-7-16-38-32(35)36)41-33(46)47-20-24-8-5-4-6-9-24/h4-6,8-9,11-14,21-22,26-28,42H,7,10,15-20H2,1-3H3,(H,37,43)(H,39,45)(H,40,44)(H,41,46)(H4,35,36,38)/t22-,26-,27-,28-/m0/s1 GGANWADJYOEBIJ-ACNFANBVSA-N 50099391 CHEMBL3344266 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717659 318490577 CHEMBL3344266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367374 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N(C)CCc1ccc(Cl)cc1 InChI=1S/C34H50ClN7O6/c1-22(2)19-28(29(43)20-30(44)42(4)18-16-24-12-14-26(35)15-13-24)40-31(45)23(3)39-32(46)27(11-8-17-38-33(36)37)41-34(47)48-21-25-9-6-5-7-10-25/h5-7,9-10,12-15,22-23,27-29,43H,8,11,16-21H2,1-4H3,(H,39,46)(H,40,45)(H,41,47)(H4,36,37,38)/t23-,27-,28-,29-/m0/s1 DNZNBEZRKTXBCA-HPEBZSCQSA-N 50099392 CHEMBL3344267 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118717661 318490578 CHEMBL3344267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367375 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1 InChI=1S/C32H47N7O5/c1-21(2)19-26(27(40)20-28(41)35-18-16-23-11-6-4-7-12-23)39-29(42)22(3)37-31(44)25(15-10-17-36-32(33)34)38-30(43)24-13-8-5-9-14-24/h4-9,11-14,21-22,25-27,40H,10,15-20H2,1-3H3,(H,35,41)(H,37,44)(H,38,43)(H,39,42)(H4,33,34,36)/t22-,25-,26-,27-/m0/s1 QYQDZAFFKKGVIS-OXCFDMGDSA-N 50099393 CHEMBL3344268 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118716198 318490579 CHEMBL3344268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367376 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1 InChI=1S/C34H51N7O6/c1-23(2)19-28(29(42)20-30(43)37-18-16-25-11-6-4-7-12-25)41-32(45)24(3)39-33(46)27(15-10-17-38-34(35)36)40-31(44)22-47-21-26-13-8-5-9-14-26/h4-9,11-14,23-24,27-29,42H,10,15-22H2,1-3H3,(H,37,43)(H,39,46)(H,40,44)(H,41,45)(H4,35,36,38)/t24-,27-,28-,29-/m0/s1 ZOFWZWKLCSYAIR-JSRHHAARSA-N 50099394 CHEMBL3344269 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118716328 318490580 CHEMBL3344269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367377 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1 InChI=1S/C31H47N7O6S/c1-21(2)19-26(27(39)20-28(40)34-18-16-23-11-6-4-7-12-23)37-29(41)22(3)36-30(42)25(15-10-17-35-31(32)33)38-45(43,44)24-13-8-5-9-14-24/h4-9,11-14,21-22,25-27,38-39H,10,15-20H2,1-3H3,(H,34,40)(H,36,42)(H,37,41)(H4,32,33,35)/t22-,25-,26-,27-/m0/s1 OKKAHKXXZYUEQA-OXCFDMGDSA-N 50099395 CHEMBL3344270 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118716321 318490581 CHEMBL3344270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367378 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1 InChI=1S/C32H49N7O6S/c1-22(2)19-27(28(40)20-29(41)35-18-16-24-11-6-4-7-12-24)38-30(42)23(3)37-31(43)26(15-10-17-36-32(33)34)39-46(44,45)21-25-13-8-5-9-14-25/h4-9,11-14,22-23,26-28,39-40H,10,15-21H2,1-3H3,(H,35,41)(H,37,43)(H,38,42)(H4,33,34,36)/t23-,26-,27-,28-/m0/s1 YHTSEFUBEFBXJQ-WHHDSKRTSA-N 50099403 CHEMBL3344271 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118716325 318490582 CHEMBL3344271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50367394 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 InChI=1S/C34H53N7O6S/c1-23(2)20-28(29(42)21-30(43)37-19-17-25-12-7-5-8-13-25)39-33(45)31(24(3)4)40-32(44)27(16-11-18-38-34(35)36)41-48(46,47)22-26-14-9-6-10-15-26/h5-10,12-15,23-24,27-29,31,41-42H,11,16-22H2,1-4H3,(H,37,43)(H,39,45)(H,40,44)(H4,35,36,38)/t27-,28-,29-,31-/m0/s1 PQZHZCPKSLRZNY-KECWCRPSSA-N 50099406 CHEMBL3344272 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/jm500797g 10.7270/Q2CR5W42 25167370 Sleebs, BE; Gazdik, M; O'Neill, MT; Rajasekaran, P; Lopaticki, S; Lackovic, K; Lowes, K; Smith, BJ; Cowman, AF; Boddey, JA The Walter and Eliza Hall Institute of Medical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593288 318490583 CHEMBL3344272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381322 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381323 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCC(CC4)=C(c4ccc(F)cc4)c4ccc(F)cc4)cc3C2=O)cc1 InChI=1S/C48H48F2N2O2/c1-51(33-36-8-4-2-5-9-36)34-37-12-10-35(11-13-37)30-42-31-41-18-23-45(32-46(41)48(42)53)54-29-7-3-6-26-52-27-24-40(25-28-52)47(38-14-19-43(49)20-15-38)39-16-21-44(50)22-17-39/h2,4-5,8-23,30,32H,3,6-7,24-29,31,33-34H2,1H3/b42-30+ YZNLRUIIKCLAJC-OJZPPULMSA-N 50105794 CHEMBL3597555 Beta-secretase 1 Homo sapiens 5950 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122183702 319492670 CHEMBL3597555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381324 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCN(CC4)C(c4ccc(F)cc4)c4ccc(F)cc4)cc3C2=O)cc1 InChI=1S/C47H49F2N3O2/c1-50(33-36-8-4-2-5-9-36)34-37-12-10-35(11-13-37)30-41-31-40-18-23-44(32-45(40)47(41)53)54-29-7-3-6-24-51-25-27-52(28-26-51)46(38-14-19-42(48)20-15-38)39-16-21-43(49)22-17-39/h2,4-5,8-23,30,32,46H,3,6-7,24-29,31,33-34H2,1H3/b41-30+ NZJNFVRPSDCMNG-AETRBLLXSA-N 50105795 CHEMBL3597554 Beta-secretase 1 Homo sapiens 2490 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122183701 319492671 CHEMBL3597554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381325 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCN(CC4)OC(=O)C(C)(C)C)cc3C2=O)cc1 InChI=1S/C39H49N3O4/c1-39(2,3)38(44)46-42-22-20-41(21-23-42)19-9-6-10-24-45-35-18-17-33-26-34(37(43)36(33)27-35)25-30-13-15-32(16-14-30)29-40(4)28-31-11-7-5-8-12-31/h5,7-8,11-18,25,27H,6,9-10,19-24,26,28-29H2,1-4H3/b34-25+ CQNLBGSXUTULGK-YQCHCMBFSA-N 50105796 CHEMBL3597552 Beta-secretase 1 Homo sapiens 3210 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122183699 319492672 CHEMBL3597552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381326 CCOC(=O)C1(CCN(CCCCCOc2ccc3C\C(=C/c4ccc(CN(C)Cc5ccccc5)cc4)C(=O)c3c2)CC1)c1ccccc1 InChI=1S/C44H50N2O4/c1-3-49-43(48)44(39-15-9-5-10-16-39)23-26-46(27-24-44)25-11-6-12-28-50-40-22-21-37-30-38(42(47)41(37)31-40)29-34-17-19-36(20-18-34)33-45(2)32-35-13-7-4-8-14-35/h4-5,7-10,13-22,29,31H,3,6,11-12,23-28,30,32-33H2,1-2H3/b38-29+ ALDRVRZUYXXEDQ-DMFHDPHMSA-N 50105797 CHEMBL3597550 Beta-secretase 1 Homo sapiens 8230 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122183697 319492673 CHEMBL3597550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381327 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCN(CC4)c4ccccc4)cc3C2=O)cc1 InChI=1S/C40H45N3O2/c1-41(30-33-11-5-2-6-12-33)31-34-17-15-32(16-18-34)27-36-28-35-19-20-38(29-39(35)40(36)44)45-26-10-4-9-21-42-22-24-43(25-23-42)37-13-7-3-8-14-37/h2-3,5-8,11-20,27,29H,4,9-10,21-26,28,30-31H2,1H3/b36-27+ LJRJTSOGRMZITN-KJFHWCLQSA-N 50105798 CHEMBL3597549 Beta-secretase 1 Homo sapiens 11670 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122183696 319492674 CHEMBL3597549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50381328 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCC(CC4)c4ccccc4)cc3C2=O)cc1 InChI=1S/C41H46N2O2/c1-42(30-33-11-5-2-6-12-33)31-34-17-15-32(16-18-34)27-38-28-37-19-20-39(29-40(37)41(38)44)45-26-10-4-9-23-43-24-21-36(22-25-43)35-13-7-3-8-14-35/h2-3,5-8,11-20,27,29,36H,4,9-10,21-26,28,30-31H2,1H3/b38-27+ LFWRLICXQATICR-ACPRRRJJSA-N 50105799 CHEMBL3597548 Beta-secretase 1 Homo sapiens 13400 ChEMBL 10.1016/j.bmcl.2015.05.002 10.7270/Q2TB18P5 26003339 Rampa, A; Mancini, F; De Simone, A; Falchi, F; Belluti, F; Di Martino, RM; Gobbi, S; Andrisano, V; Tarozzi, A; Bartolini, M; Cavalli, A; Bisi, A University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122183695 319492675 CHEMBL3597548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393479 CCC[C@H](N(C)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H53N5O8S/c1-7-10-24(31(43)44)36(6)17-25(37)22(15-18(3)4)33-29(41)23(16-20-11-9-14-45-20)34-30(42)27(19(5)8-2)35-28(40)21(32)12-13-26(38)39/h9,11,14,18-19,21-25,27,37H,7-8,10,12-13,15-17,32H2,1-6H3,(H,33,41)(H,34,42)(H,35,40)(H,38,39)(H,43,44)/t19-,21-,22-,23-,24-,25+,27-/m0/s1 AHFFRMXXIZJMCZ-GVLREEQHSA-N 50110897 CHEMBL3604700 Beta-secretase 1 Homo sapiens 680000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185942 319493313 CHEMBL3604700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393480 CCC[C@H](NC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C30H51N5O8S/c1-6-9-21(30(42)43)32-16-24(36)22(14-17(3)4)33-28(40)23(15-19-10-8-13-44-19)34-29(41)26(18(5)7-2)35-27(39)20(31)11-12-25(37)38/h8,10,13,17-18,20-24,26,32,36H,6-7,9,11-12,14-16,31H2,1-5H3,(H,33,40)(H,34,41)(H,35,39)(H,37,38)(H,42,43)/t18-,20-,21-,22-,23-,24+,26-/m0/s1 DJNGMVFMQCYAIT-FGDAERKFSA-N 50110898 CHEMBL3604698 Beta-secretase 1 Homo sapiens 72000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91809482 319493314 CHEMBL3604698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393483 CCC[C@H](NC[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H47N5O8S2/c1-4-8-22(31(43)44)33-17-25(37)23(15-19-9-6-13-45-19)34-29(41)24(16-20-10-7-14-46-20)35-30(42)27(18(3)5-2)36-28(40)21(32)11-12-26(38)39/h6-7,9-10,13-14,18,21-25,27,33,37H,4-5,8,11-12,15-17,32H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,38,39)(H,43,44)/t18-,21-,22-,23-,24-,25+,27-/m0/s1 FDCIHHBJRPHRAO-DZUHKJHCSA-N 50110899 CHEMBL3604697 Beta-secretase 1 Homo sapiens 9400 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91809483 319493315 CHEMBL3604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393484 CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C33H47N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h6-9,11-13,16,19,22-25,27-28,41H,4-5,10,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28-/m0/s1 OOQLTRRICPBYAD-UAIMJAIFSA-N 50110900 CHEMBL3604696 Beta-secretase 1 Homo sapiens 870000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185940 319493316 CHEMBL3604696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393485 CCC[C@H](NC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C33H53N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h9,13,16,19-20,22-25,27-28,41H,4-8,10-12,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28-/m0/s1 RHVUALANAPWYEJ-UAIMJAIFSA-N 50110901 CHEMBL3604695 Beta-secretase 1 Homo sapiens 480000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185939 319493317 CHEMBL3604695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393486 CCC[C@H](NC(=O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C30H49N5O9S/c1-6-9-20(30(43)44)32-29(42)25(38)21(14-16(3)4)33-27(40)22(15-18-10-8-13-45-18)34-28(41)24(17(5)7-2)35-26(39)19(31)11-12-23(36)37/h8,10,13,16-17,19-22,24-25,38H,6-7,9,11-12,14-15,31H2,1-5H3,(H,32,42)(H,33,40)(H,34,41)(H,35,39)(H,36,37)(H,43,44)/t17-,19-,20-,21-,22-,24-,25-/m0/s1 GZNCMJDXTIUUJQ-PJJIPRPHSA-N 50110902 CHEMBL3604604 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185867 319493318 CHEMBL3604604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393487 CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H45N5O9S2/c1-4-8-21(31(44)45)33-30(43)26(39)22(15-18-9-6-13-46-18)34-28(41)23(16-19-10-7-14-47-19)35-29(42)25(17(3)5-2)36-27(40)20(32)11-12-24(37)38/h6-7,9-10,13-14,17,20-23,25-26,39H,4-5,8,11-12,15-16,32H2,1-3H3,(H,33,43)(H,34,41)(H,35,42)(H,36,40)(H,37,38)(H,44,45)/t17-,20-,21-,22-,23-,25-,26-/m0/s1 RNIFVMRORLIQKP-ZWKKXHERSA-N 50110903 CHEMBL3604603 Beta-secretase 1 Homo sapiens 870000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185866 319493319 CHEMBL3604603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393488 CCC[C@H](N(C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H53N5O8S/c1-7-10-24(31(43)44)36(6)17-25(37)22(15-18(3)4)33-29(41)23(16-20-11-9-14-45-20)34-30(42)27(19(5)8-2)35-28(40)21(32)12-13-26(38)39/h9,11,14,18-19,21-25,27,37H,7-8,10,12-13,15-17,32H2,1-6H3,(H,33,41)(H,34,42)(H,35,40)(H,38,39)(H,43,44)/t19-,21-,22-,23-,24-,25-,27-/m0/s1 AHFFRMXXIZJMCZ-FXCIBJTHSA-N 50110904 CHEMBL3604602 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185865 319493320 CHEMBL3604602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393489 CCC[C@H](NC(C)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H53N5O8S/c1-7-10-22(31(43)44)33-19(6)27(39)23(15-17(3)4)34-29(41)24(16-20-11-9-14-45-20)35-30(42)26(18(5)8-2)36-28(40)21(32)12-13-25(37)38/h9,11,14,17-19,21-24,26-27,33,39H,7-8,10,12-13,15-16,32H2,1-6H3,(H,34,41)(H,35,42)(H,36,40)(H,37,38)(H,43,44)/t18-,19?,21-,22-,23-,24-,26-,27-/m0/s1 OSWNRAPGGGUYIJ-WOOOYQTKSA-N 50110905 CHEMBL3604601 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185864 319493321 CHEMBL3604601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393490 CCC[C@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C30H51N5O8S/c1-6-9-21(30(42)43)32-16-24(36)22(14-17(3)4)33-28(40)23(15-19-10-8-13-44-19)34-29(41)26(18(5)7-2)35-27(39)20(31)11-12-25(37)38/h8,10,13,17-18,20-24,26,32,36H,6-7,9,11-12,14-16,31H2,1-5H3,(H,33,40)(H,34,41)(H,35,39)(H,37,38)(H,42,43)/t18-,20-,21-,22-,23-,24-,26-/m0/s1 DJNGMVFMQCYAIT-XDGLAZHNSA-N 50110906 CHEMBL3604600 Beta-secretase 1 Homo sapiens >1000000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185863 319493322 CHEMBL3604600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393491 CCC[C@H](NC[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H47N5O8S2/c1-4-8-22(31(43)44)33-17-25(37)23(15-19-9-6-13-45-19)34-29(41)24(16-20-10-7-14-46-20)35-30(42)27(18(3)5-2)36-28(40)21(32)11-12-26(38)39/h6-7,9-10,13-14,18,21-25,27,33,37H,4-5,8,11-12,15-17,32H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,38,39)(H,43,44)/t18-,21-,22-,23-,24-,25-,27-/m0/s1 FDCIHHBJRPHRAO-HIQVKSPESA-N 50110907 CHEMBL3604599 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185862 319493323 CHEMBL3604599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393492 CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C33H47N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h6-9,11-13,16,19,22-25,27-28,41H,4-5,10,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28+/m0/s1 OOQLTRRICPBYAD-NNPJTBSKSA-N 50110908 CHEMBL3604598 Beta-secretase 1 Homo sapiens 34000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185861 319493324 CHEMBL3604598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393496 CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C33H53N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h9,13,16,19-20,22-25,27-28,41H,4-8,10-12,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28+/m0/s1 RHVUALANAPWYEJ-NNPJTBSKSA-N 50110909 CHEMBL3604597 Beta-secretase 1 Homo sapiens 64000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185860 319493325 CHEMBL3604597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393497 CCC[C@H](NC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C30H49N5O9S/c1-6-9-20(30(43)44)32-29(42)25(38)21(14-16(3)4)33-27(40)22(15-18-10-8-13-45-18)34-28(41)24(17(5)7-2)35-26(39)19(31)11-12-23(36)37/h8,10,13,16-17,19-22,24-25,38H,6-7,9,11-12,14-15,31H2,1-5H3,(H,32,42)(H,33,40)(H,34,41)(H,35,39)(H,36,37)(H,43,44)/t17-,19-,20-,21-,22-,24-,25+/m0/s1 GZNCMJDXTIUUJQ-OYFMYTKGSA-N 50110910 CHEMBL3604596 Beta-secretase 1 Homo sapiens 56000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185859 319493326 CHEMBL3604596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50393498 CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H45N5O9S2/c1-4-8-21(31(44)45)33-30(43)26(39)22(15-18-9-6-13-46-18)34-28(41)23(16-19-10-7-14-47-19)35-29(42)25(17(3)5-2)36-27(40)20(32)11-12-24(37)38/h6-7,9-10,13-14,17,20-23,25-26,39H,4-5,8,11-12,15-16,32H2,1-3H3,(H,33,43)(H,34,41)(H,35,42)(H,36,40)(H,37,38)(H,44,45)/t17-,20-,21-,22-,23-,25-,26+/m0/s1 RNIFVMRORLIQKP-YLSRMWDOSA-N 50110911 CHEMBL3604595 Beta-secretase 1 Homo sapiens 26000 ChEMBL 10.1016/j.bmc.2015.07.023 10.7270/Q28W3G3B 26264846 Hattori, Y; Kobayashi, K; Deguchi, A; Nohara, Y; Akiyama, T; Teruya, K; Sanjoh, A; Nakagawa, A; Yamashita, E; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91824261 319493327 CHEMBL3604595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445760 Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1 InChI=1S/C30H32N4O4/c1-19-10-15-23-24(16-19)32-28(31-23)33-25-17-34(29(36)38-30(2,3)4)18-26(25)37-27(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-16,25-26H,17-18H2,1-4H3,(H2,31,32,33)/t25-,26-/m0/s1 KWLJBBUJPGJTAB-UIOOFZCWSA-N 50134219 CHEMBL3746566 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127042876 104024886 CHEMBL3746566 ZINC13528235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445761 COc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1 InChI=1S/C30H32N4O5/c1-30(2,3)39-29(36)34-17-25(33-28-31-23-15-14-22(37-4)16-24(23)32-28)26(18-34)38-27(35)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-16,25-26H,17-18H2,1-4H3,(H2,31,32,33)/t25-,26-/m0/s1 QISXYXTUQWAAJT-UIOOFZCWSA-N 50134793 CHEMBL3745974 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946737 336951668 CHEMBL3745974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445762 CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1 ONXOLONSBJTOEF-DQEYMECFSA-N 50134794 CHEMBL3746637 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946738 336951669 CHEMBL3746637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445763 CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(Cl)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C29H29ClN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1 NJSZUNHOUCPFFE-DQEYMECFSA-N 50134815 CHEMBL3747191 Beta-secretase 1 Homo sapiens 440 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946739 104025319 CHEMBL3747191 ZINC27550359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445764 Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3cccc(c3)-c3ccc(F)cc3)C(=O)OC(C)(C)C)nc2c1 InChI=1S/C30H31FN4O4/c1-18-8-13-23-24(14-18)33-28(32-23)34-25-16-35(29(37)39-30(2,3)4)17-26(25)38-27(36)21-7-5-6-20(15-21)19-9-11-22(31)12-10-19/h5-15,25-26H,16-17H2,1-4H3,(H2,32,33,34)/t25-,26-/m0/s1 LKALTXCRGLVBNB-UIOOFZCWSA-N 50134816 CHEMBL3746752 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127038312 336951670 CHEMBL3746752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445765 CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(Cl)ccc3[nH]2)[C@H](C1)OC(=O)c1cccc(Oc2ccccc2)c1 InChI=1S/C29H29ClN4O5/c1-29(2,3)39-28(36)34-16-24(33-27-31-22-13-12-19(30)15-23(22)32-27)25(17-34)38-26(35)18-8-7-11-21(14-18)37-20-9-5-4-6-10-20/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1 TZCXLZVWXGESIG-DQEYMECFSA-N 50134817 CHEMBL3746636 Beta-secretase 1 Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946741 336951671 CHEMBL3746636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445766 CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/m0/s1 OWXJEEIJHWOZKB-VXKWHMMOSA-N 50134818 CHEMBL3746261 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946943 336951672 CHEMBL3746261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445767 CN(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C InChI=1S/C25H30FN5O4/c1-25(2,3)35-24(33)31-13-20(29-23-27-18-11-8-16(26)12-19(18)28-23)21(14-31)34-22(32)15-6-9-17(10-7-15)30(4)5/h6-12,20-21H,13-14H2,1-5H3,(H2,27,28,29)/t20-,21-/m0/s1 AQQAIJDNIJQLTK-SFTDATJTSA-N 50134821 CHEMBL3747274 Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946944 336951675 CHEMBL3747274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445768 Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/m0/s1 GHIKRRXJYNSNNF-GOTSBHOMSA-N 50134822 CHEMBL3745922 Beta-secretase 1 Homo sapiens 660 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946535 336951676 CHEMBL3745922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445769 CC(=O)N1C[C@H](Nc2nc3cc(C)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C27H26N4O3/c1-17-8-13-22-23(14-17)29-27(28-22)30-24-15-31(18(2)32)16-25(24)34-26(33)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,24-25H,15-16H2,1-2H3,(H2,28,29,30)/t24-,25-/m0/s1 OHJAFPHKQIRVIC-DQEYMECFSA-N 50134823 CHEMBL3747247 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946536 336951677 CHEMBL3747247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445770 Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)c3ccccc3)nc2c1 InChI=1S/C32H28N4O3/c1-21-12-17-26-27(18-21)34-32(33-26)35-28-19-36(30(37)24-10-6-3-7-11-24)20-29(28)39-31(38)25-15-13-23(14-16-25)22-8-4-2-5-9-22/h2-18,28-29H,19-20H2,1H3,(H2,33,34,35)/t28-,29-/m0/s1 RFWJOTSSJGFXMU-VMPREFPWSA-N 50134824 CHEMBL3747556 Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946537 336951678 CHEMBL3747556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445771 COC(=O)CN1C[C@H](Nc2nc3cc(C)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C28H28N4O4/c1-18-8-13-22-23(14-18)30-28(29-22)31-24-15-32(17-26(33)35-2)16-25(24)36-27(34)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,24-25H,15-17H2,1-2H3,(H2,29,30,31)/t24-,25-/m0/s1 ZIUJLGGIFGGLGO-DQEYMECFSA-N 50134912 CHEMBL3745864 Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946538 104025407 CHEMBL3745864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445772 CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)C(C)C InChI=1S/C24H29FN4O4S/c1-4-11-34(31,32)29-13-21(28-24-26-19-10-9-18(25)12-20(19)27-24)22(14-29)33-23(30)17-7-5-16(6-8-17)15(2)3/h5-10,12,15,21-22H,4,11,13-14H2,1-3H3,(H2,26,27,28)/t21-,22-/m0/s1 KUTIJRRDUXHGCG-VXKWHMMOSA-N 50134913 CHEMBL3747444 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946945 104025408 CHEMBL3747444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445773 CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)S(=O)(=O)c1ccccc1 InChI=1S/C27H27FN4O4S/c1-17(2)18-8-10-19(11-9-18)26(33)36-25-16-32(37(34,35)21-6-4-3-5-7-21)15-24(25)31-27-29-22-13-12-20(28)14-23(22)30-27/h3-14,17,24-25H,15-16H2,1-2H3,(H2,29,30,31)/t24-,25-/m0/s1 UMJMOBMCZCPEPL-DQEYMECFSA-N 50134915 CHEMBL3747381 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946946 104025410 CHEMBL3747381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445774 CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)N(C)C InChI=1S/C23H28FN5O4S/c1-4-11-34(31,32)29-13-20(27-23-25-18-10-7-16(24)12-19(18)26-23)21(14-29)33-22(30)15-5-8-17(9-6-15)28(2)3/h5-10,12,20-21H,4,11,13-14H2,1-3H3,(H2,25,26,27)/t20-,21-/m0/s1 RBNGAIDJBFKWGY-SFTDATJTSA-N 50134916 CHEMBL3746131 Beta-secretase 1 Homo sapiens 3150 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947155 104025411 CHEMBL3746131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445775 CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 InChI=1S/C29H31FN4O3/c1-29(2,3)37-28(35)34-16-25(33-27-31-23-14-13-22(30)15-24(23)32-27)26(17-34)36-18-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-15,25-26H,16-18H2,1-3H3,(H2,31,32,33)/t25-,26-/m0/s1 ISSOLUDHEZMZKW-UIOOFZCWSA-N 50134917 CHEMBL3747766 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947373 104025412 CHEMBL3747766 ZINC43910233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445776 CC(C)c1ccc(CO[C@H]2CN(C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)C(=O)OC(C)(C)C)cc1 InChI=1S/C26H33FN4O3/c1-16(2)18-8-6-17(7-9-18)15-33-23-14-31(25(32)34-26(3,4)5)13-22(23)30-24-28-20-11-10-19(27)12-21(20)29-24/h6-12,16,22-23H,13-15H2,1-5H3,(H2,28,29,30)/t22-,23-/m0/s1 DYHRVBSCLYVHAR-GOTSBHOMSA-N 50134918 CHEMBL3746656 Beta-secretase 1 Homo sapiens 730 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947374 104025413 CHEMBL3746656 ZINC96301108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445777 CC(C)c1ccc(CO[C@H]2CNC[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 InChI=1S/C21H25FN4O/c1-13(2)15-5-3-14(4-6-15)12-27-20-11-23-10-19(20)26-21-24-17-8-7-16(22)9-18(17)25-21/h3-9,13,19-20,23H,10-12H2,1-2H3,(H2,24,25,26)/t19-,20-/m0/s1 MMIOYSOVUZIZEB-PMACEKPBSA-N 50134919 CHEMBL3746477 Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947375 104025414 CHEMBL3746477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445778 CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)C(C)C InChI=1S/C24H31FN4O3S/c1-4-11-33(30,31)29-13-22(28-24-26-20-10-9-19(25)12-21(20)27-24)23(14-29)32-15-17-5-7-18(8-6-17)16(2)3/h5-10,12,16,22-23H,4,11,13-15H2,1-3H3,(H2,26,27,28)/t22-,23-/m0/s1 OFVJQUFKQBLFEC-GOTSBHOMSA-N 50134920 CHEMBL3747445 Beta-secretase 1 Homo sapiens 640 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947376 104025415 CHEMBL3747445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445779 CC(C)c1ccc(CO[C@H]2CN(C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 InChI=1S/C27H29FN4O3S/c1-18(2)20-10-8-19(9-11-20)17-35-26-16-32(36(33,34)22-6-4-3-5-7-22)15-25(26)31-27-29-23-13-12-21(28)14-24(23)30-27/h3-14,18,25-26H,15-17H2,1-2H3,(H2,29,30,31)/t25-,26-/m0/s1 MLCCBLUSPKCWEX-UIOOFZCWSA-N 50134921 CHEMBL3746896 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947377 104025416 CHEMBL3746896 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445780 CC(C)c1ccc(CO[C@H]2CN(CCO)C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 InChI=1S/C23H29FN4O2/c1-15(2)17-5-3-16(4-6-17)14-30-22-13-28(9-10-29)12-21(22)27-23-25-19-8-7-18(24)11-20(19)26-23/h3-8,11,15,21-22,29H,9-10,12-14H2,1-2H3,(H2,25,26,27)/t21-,22-/m0/s1 VWIDCHSLLXGWKW-VXKWHMMOSA-N 50134922 CHEMBL3745980 Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947378 104025417 CHEMBL3745980 ZINC96301112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445781 CC(C)c1ccc(CO[C@H]2CN(CC(N)=O)C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 InChI=1S/C23H28FN5O2/c1-14(2)16-5-3-15(4-6-16)13-31-21-11-29(12-22(25)30)10-20(21)28-23-26-18-8-7-17(24)9-19(18)27-23/h3-9,14,20-21H,10-13H2,1-2H3,(H2,25,30)(H2,26,27,28)/t20-,21-/m0/s1 OTPBNDNHCAYXRB-SFTDATJTSA-N 50134923 CHEMBL3747275 Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947563 104025418 CHEMBL3747275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445782 Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/m0/s1 GHIKRRXJYNSNNF-GOTSBHOMSA-N 50134822 CHEMBL3745922 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72946535 336951676 CHEMBL3745922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445783 CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 InChI=1S/C29H31FN4O3/c1-29(2,3)37-28(35)34-16-25(33-27-31-23-14-13-22(30)15-24(23)32-27)26(17-34)36-18-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-15,25-26H,16-18H2,1-3H3,(H2,31,32,33)/t25-,26-/m0/s1 ISSOLUDHEZMZKW-UIOOFZCWSA-N 50134917 CHEMBL3747766 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72947373 104025412 CHEMBL3747766 ZINC43910233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445789 COc1ccc(cc1)N1CCN(CC1)[C@@H]1CN(CC[C@H]1OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 InChI=1S/C36H36Cl2N4O5/c1-45-30-13-9-29(10-14-30)40-17-19-41(20-18-40)33-24-42(36(44)39-28-22-26(37)21-27(38)23-28)16-15-34(33)47-35(43)25-7-11-32(12-8-25)46-31-5-3-2-4-6-31/h2-14,21-23,33-34H,15-20,24H2,1H3,(H,39,44)/t33-,34-/m1/s1 XFFFVEQRHIOEAE-KKLWWLSJSA-N 50134924 CHEMBL3747119 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2015.11.033 10.7270/Q2BC41CC 26608551 De Tran, Q; Bepary, S; Lee, GH; Cho, H; Park, WK; Lim, HJ Korea University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127042875 104025419 CHEMBL3747119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878700 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cc(OC)cc(c1)C#N InChI=1S/C25H27N3O3/c1-29-20-5-7-24(8-6-20)13-18-4-3-17(12-22(18)25(24)15-31-23(27)28-25)19-9-16(14-26)10-21(11-19)30-2/h3-4,9-12,20H,5-8,13,15H2,1-2H3,(H2,27,28)/t20-,24-,25-/m0/s1/i15D2 HGMWSDRCFLAMIZ-INDJQTKRSA-N 50264154 CHEMBL4100832 Beta-secretase 1 Homo sapiens 2.9 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137660988 104112252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878702 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cccnc1 InChI=1S/C22H25N3O2/c1-26-18-6-8-21(9-7-18)12-16-5-4-15(17-3-2-10-24-13-17)11-19(16)22(21)14-27-20(23)25-22/h2-5,10-11,13,18H,6-9,12,14H2,1H3,(H2,23,25)/t18-,21-,22-/m0/s1/i14D2 GEYWBDIFOOXJFR-JPJSVPEHSA-N 50264180 CHEMBL4074071 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137641085 404341747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878706 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncnc1 InChI=1S/C21H24N4O2/c1-26-17-4-6-20(7-5-17)9-15-3-2-14(16-10-23-13-24-11-16)8-18(15)21(20)12-27-19(22)25-21/h2-3,8,10-11,13,17H,4-7,9,12H2,1H3,(H2,22,25)/t17-,20-,21-/m0/s1/i12D2 HCULHXVLYCNDEI-QKRXBBJISA-N 50264181 CHEMBL4065448 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054902 404341748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878707 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11C[C@H](C)[C@@H](OC)[C@H](C)C1)-c1cncnc1 InChI=1S/C23H28N4O2/c1-14-7-22(8-15(2)20(14)28-3)9-17-5-4-16(18-10-25-13-26-11-18)6-19(17)23(22)12-29-21(24)27-23/h4-6,10-11,13-15,20H,7-9,12H2,1-3H3,(H2,24,27)/t14-,15+,20+,22+,23-/m0/s1/i12D2 WEUYFLJIIPRWIS-AQYDYDSLSA-N 50264183 CHEMBL4085364 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646591 404341749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878708 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](CC)C1)-c1cncnc1 InChI=1S/C23H28N4O2/c1-3-15-9-22(7-6-20(15)28-2)10-17-5-4-16(18-11-25-14-26-12-18)8-19(17)23(22)13-29-21(24)27-23/h4-5,8,11-12,14-15,20H,3,6-7,9-10,13H2,1-2H3,(H2,24,27)/t15-,20-,22-,23+/m1/s1/i13D2 XWPKJWXXVQEOTC-STERQVHBSA-N 50264184 CHEMBL4097477 Beta-secretase 1 Homo sapiens 0.910000 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054950 404341750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878709 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](C)C1)-c1cncnc1 InChI=1S/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22-/m0/s1/i12D2 LNZBKHMXPFCMOB-NIVWZPTPSA-N 50264185 CHEMBL4070299 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638912 404341751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878710 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](CC)C1)-c1cncnc1 InChI=1S/C23H28N4O2/c1-3-15-9-22(7-6-20(15)28-2)10-17-5-4-16(18-11-25-14-26-12-18)8-19(17)23(22)13-29-21(24)27-23/h4-5,8,11-12,14-15,20H,3,6-7,9-10,13H2,1-2H3,(H2,24,27)/t15-,20-,22-,23-/m0/s1/i13D2 XWPKJWXXVQEOTC-CXPDZNFNSA-N 50264186 CHEMBL4067413 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054712 404341752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878713 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H24ClN3O2/c1-29-20-4-6-23(7-5-20)12-17-3-2-16(18-8-15(13-26)9-19(25)10-18)11-21(17)24(23)14-30-22(27)28-24/h2-3,8-11,20H,4-7,12,14H2,1H3,(H2,27,28)/t20-,23-,24-/m1/s1 FQJNFWHRRHDNQF-AGILITTLSA-N 50264190 CHEMBL4092875 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653962 404341753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878714 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H24ClN3O2/c1-29-20-4-6-23(7-5-20)12-17-3-2-16(18-8-15(13-26)9-19(25)10-18)11-21(17)24(23)14-30-22(27)28-24/h2-3,8-11,20H,4-7,12,14H2,1H3,(H2,27,28)/t20-,23-,24-/m0/s1 FQJNFWHRRHDNQF-OYDLWJJNSA-N 50264192 CHEMBL4072118 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132068809 404341754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437288 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C17H18FN5O3/c1-17(9-26-8-14(19)23-17)11-5-10(3-4-12(11)18)22-16(24)13-6-21-15(25-2)7-20-13/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 TWRLXESQDISYIS-KRWDZBQOSA-N 50131773 CHEMBL3634123 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195837 321903387 CHEMBL3634123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437289 C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 BBTMSQSMAGSWCB-KRWDZBQOSA-N 50131774 CHEMBL2403769 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50991508 321903388 CHEMBL2403769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437290 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H17ClN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 ZZUPAAPYPBQGKS-KRWDZBQOSA-N 50131775 CHEMBL3634122 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52K 5CLM 50991585 321903389 CHEMBL3634122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437291 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1F InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17-/m1/s1 VDDPPIGLCDMNCU-IAGOWNOFSA-N 50131776 CHEMBL3634124 Beta-secretase 1 Homo sapiens 102 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195838 321903390 CHEMBL3634124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437292 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17+/m0/s1 VDDPPIGLCDMNCU-DLBZAZTESA-N 50131799 CHEMBL3634125 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195839 321903391 CHEMBL3634125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437293 C[C@@]1(N=C(N)CO[C@@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16-/m1/s1 GIPPQVKFNKABNR-HZPDHXFCSA-N 50131800 CHEMBL3634126 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195840 321903392 CHEMBL3634126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437294 C[C@@]1(N=C(N)CO[C@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16+/m1/s1 GIPPQVKFNKABNR-CVEARBPZSA-N 50131801 CHEMBL3634127 Beta-secretase 1 Homo sapiens 316 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195841 321903393 CHEMBL3634127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437295 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H14ClF4N5O2/c1-16(15(17(20,21)22)29-7-13(23)27-16)9-4-8(2-3-10(9)19)26-14(28)11-5-25-12(18)6-24-11/h2-6,15H,7H2,1H3,(H2,23,27)(H,26,28)/t15-,16-/m1/s1 RCCXUFNTTANXEO-HZPDHXFCSA-N 50131802 CHEMBL3634128 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195842 321903394 CHEMBL3634128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437296 C[C@@]1(N=C(N)CO[C@@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H14ClF4N5O2/c1-16(15(17(20,21)22)29-7-13(23)27-16)9-4-8(2-3-10(9)19)26-14(28)11-5-25-12(18)6-24-11/h2-6,15H,7H2,1H3,(H2,23,27)(H,26,28)/t15-,16+/m0/s1 RCCXUFNTTANXEO-JKSUJKDBSA-N 50131803 CHEMBL3634129 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195843 321903395 CHEMBL3634129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437297 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CO[C@@H]1F)C1CC1 InChI=1S/C19H19F2N5O3/c1-28-16-8-23-14(7-24-16)17(27)25-11-4-5-13(20)12(6-11)19(10-2-3-10)18(21)29-9-15(22)26-19/h4-8,10,18H,2-3,9H2,1H3,(H2,22,26)(H,25,27)/t18-,19+/m0/s1 PXAKVDFZCBAGJB-RBUKOAKNSA-N 50131804 CHEMBL3634130 Beta-secretase 1 Homo sapiens 66 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195844 321903396 CHEMBL3634130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437298 COc1cnc(cn1)C(=O)Nc1ccnc(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C16H17FN6O3/c1-16(15(17)26-8-12(18)23-16)11-5-9(3-4-19-11)22-14(24)10-6-21-13(25-2)7-20-10/h3-7,15H,8H2,1-2H3,(H2,18,23)(H,19,22,24)/t15-,16+/m0/s1 RVYZKEKQLMFLLY-JKSUJKDBSA-N 50131805 CHEMBL3634338 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196026 321903397 CHEMBL3634338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437299 COc1cnc(cn1)C(=O)Nc1cc(ccn1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C16H17FN6O3/c1-16(15(17)26-8-11(18)23-16)9-3-4-19-12(5-9)22-14(24)10-6-21-13(25-2)7-20-10/h3-7,15H,8H2,1-2H3,(H2,18,23)(H,19,22,24)/t15-,16+/m0/s1 MFDHEHSRVZGAHP-JKSUJKDBSA-N 50131806 CHEMBL3634339 Beta-secretase 1 Homo sapiens 3467 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196027 321903398 CHEMBL3634339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437300 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,17+/m0/s1 HBJCZLYQYZGGRO-DLBZAZTESA-N 50131807 CHEMBL3634340 Beta-secretase 1 Homo sapiens 7.4 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196028 321903399 CHEMBL3634340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437306 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C18H17ClF2N4O2/c1-9-5-10(19)7-23-15(9)16(26)24-11-3-4-13(20)12(6-11)18(2)17(21)27-8-14(22)25-18/h3-7,17H,8H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 CQTYPCIWXALTQA-ZWKOTPCHSA-N 50131808 CHEMBL3634341 Beta-secretase 1 Homo sapiens 6.9 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196029 321903400 CHEMBL3634341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437307 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(17(20)27-9-15(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,17H,9H2,1H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 XHHSQAOCTYSLLM-ZWKOTPCHSA-N 50131809 CHEMBL3634342 Beta-secretase 1 Homo sapiens 7.6 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 81689770 321903401 CHEMBL3634342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437308 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C17H17ClN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 ZZUPAAPYPBQGKS-KRWDZBQOSA-N 50131775 CHEMBL3634122 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 52K 5CLM 50991585 321903389 CHEMBL3634122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437309 C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 BBTMSQSMAGSWCB-KRWDZBQOSA-N 50131774 CHEMBL2403769 Beta-secretase 1 Homo sapiens 4.1 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50991508 321903388 CHEMBL2403769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437371 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 InChI=1S/C17H18FN5O3/c1-17(9-26-8-14(19)23-17)11-5-10(3-4-12(11)18)22-16(24)13-6-21-15(25-2)7-20-13/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 TWRLXESQDISYIS-KRWDZBQOSA-N 50131773 CHEMBL3634123 Beta-secretase 1 Homo sapiens 5.4 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195837 321903387 CHEMBL3634123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437376 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1F InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17-/m1/s1 VDDPPIGLCDMNCU-IAGOWNOFSA-N 50131776 CHEMBL3634124 Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195838 321903390 CHEMBL3634124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437377 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17+/m0/s1 VDDPPIGLCDMNCU-DLBZAZTESA-N 50131799 CHEMBL3634125 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195839 321903391 CHEMBL3634125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437378 C[C@@]1(N=C(N)CO[C@@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16-/m1/s1 GIPPQVKFNKABNR-HZPDHXFCSA-N 50131800 CHEMBL3634126 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195840 321903392 CHEMBL3634126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437379 C[C@@]1(N=C(N)CO[C@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16+/m1/s1 GIPPQVKFNKABNR-CVEARBPZSA-N 50131801 CHEMBL3634127 Beta-secretase 1 Homo sapiens 324 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195841 321903393 CHEMBL3634127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437381 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H14ClF4N5O2/c1-16(15(17(20,21)22)29-7-13(23)27-16)9-4-8(2-3-10(9)19)26-14(28)11-5-25-12(18)6-24-11/h2-6,15H,7H2,1H3,(H2,23,27)(H,26,28)/t15-,16-/m1/s1 RCCXUFNTTANXEO-HZPDHXFCSA-N 50131802 CHEMBL3634128 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195842 321903394 CHEMBL3634128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437384 C[C@@]1(N=C(N)CO[C@@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H14ClF4N5O2/c1-16(15(17(20,21)22)29-7-13(23)27-16)9-4-8(2-3-10(9)19)26-14(28)11-5-25-12(18)6-24-11/h2-6,15H,7H2,1H3,(H2,23,27)(H,26,28)/t15-,16+/m0/s1 RCCXUFNTTANXEO-JKSUJKDBSA-N 50131803 CHEMBL3634129 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195843 321903395 CHEMBL3634129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437385 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CO[C@@H]1F)C1CC1 InChI=1S/C19H19F2N5O3/c1-28-16-8-23-14(7-24-16)17(27)25-11-4-5-13(20)12(6-11)19(10-2-3-10)18(21)29-9-15(22)26-19/h4-8,10,18H,2-3,9H2,1H3,(H2,22,26)(H,25,27)/t18-,19+/m0/s1 PXAKVDFZCBAGJB-RBUKOAKNSA-N 50131804 CHEMBL3634130 Beta-secretase 1 Homo sapiens 603 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195844 321903396 CHEMBL3634130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437386 COc1cnc(cn1)C(=O)Nc1ccnc(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C16H17FN6O3/c1-16(15(17)26-8-12(18)23-16)11-5-9(3-4-19-11)22-14(24)10-6-21-13(25-2)7-20-10/h3-7,15H,8H2,1-2H3,(H2,18,23)(H,19,22,24)/t15-,16+/m0/s1 RVYZKEKQLMFLLY-JKSUJKDBSA-N 50131805 CHEMBL3634338 Beta-secretase 1 Homo sapiens 257 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196026 321903397 CHEMBL3634338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437391 COc1cnc(cn1)C(=O)Nc1cc(ccn1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C16H17FN6O3/c1-16(15(17)26-8-11(18)23-16)9-3-4-19-12(5-9)22-14(24)10-6-21-13(25-2)7-20-10/h3-7,15H,8H2,1-2H3,(H2,18,23)(H,19,22,24)/t15-,16+/m0/s1 MFDHEHSRVZGAHP-JKSUJKDBSA-N 50131806 CHEMBL3634339 Beta-secretase 1 Homo sapiens 1445 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196027 321903398 CHEMBL3634339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437402 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClF2N4O2/c1-17(16(20)26-8-14(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,16H,8H2,1H3,(H2,21,24)(H,23,25)/t16-,17+/m0/s1 HBJCZLYQYZGGRO-DLBZAZTESA-N 50131807 CHEMBL3634340 Beta-secretase 1 Homo sapiens 5.2 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196028 321903399 CHEMBL3634340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437478 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C18H17ClF2N4O2/c1-9-5-10(19)7-23-15(9)16(26)24-11-3-4-13(20)12(6-11)18(2)17(21)27-8-14(22)25-18/h3-7,17H,8H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 CQTYPCIWXALTQA-ZWKOTPCHSA-N 50131808 CHEMBL3634341 Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122196029 321903400 CHEMBL3634341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432186 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@H]2CCCN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m1/s1 BCQSEFIOHSNABX-GOSISDBHSA-N 50129279 CHEMBL3627959 Beta-secretase 1 Homo sapiens 2500 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193029 321902854 CHEMBL3627959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432187 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl InChI=1S/C18H18Cl2N4O3/c1-11(25)23-16-14(19)7-13(8-15(16)20)9-22-17(21)24-18(26)27-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,23,25)(H3,21,22,24,26) YOXYQRSJPPMEJG-UHFFFAOYSA-N 50129280 CHEMBL3627960 Beta-secretase 1 Homo sapiens >30000 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193030 321902855 CHEMBL3627960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432188 C[C@H](NC(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 InChI=1S/C19H21Cl2N5O2/c1-11(14-6-4-3-5-7-14)24-19(28)26-18(22)23-10-13-8-15(20)17(16(21)9-13)25-12(2)27/h3-9,11H,10H2,1-2H3,(H,25,27)(H4,22,23,24,26,28)/t11-/m0/s1 PEMUPQXTGRRHPC-NSHDSACASA-N 50129281 CHEMBL3627961 Beta-secretase 1 Homo sapiens 2400 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193031 321902856 CHEMBL3627961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432189 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCc3ccccc23)cc1Cl InChI=1S/C20H21Cl2N5O2/c1-11(28)25-18-15(21)8-12(9-16(18)22)10-24-19(23)27-20(29)26-17-7-6-13-4-2-3-5-14(13)17/h2-5,8-9,17H,6-7,10H2,1H3,(H,25,28)(H4,23,24,26,27,29)/t17-/m0/s1 RIXVBKVNCRGTKJ-KRWDZBQOSA-N 50129282 CHEMBL3627963 Beta-secretase 1 Homo sapiens 14000 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193033 321902857 CHEMBL3627963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432190 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCCc3ccccc23)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-12(29)26-19-16(22)9-13(10-17(19)23)11-25-20(24)28-21(30)27-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-10,18H,4,6,8,11H2,1H3,(H,26,29)(H4,24,25,27,28,30)/t18-/m0/s1 HUJGZCRWHCDGCX-SFHVURJKSA-N 50129283 CHEMBL3627964 Beta-secretase 1 Homo sapiens 9100 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193034 321902858 CHEMBL3627964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432191 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl InChI=1S/C22H25Cl2N5O2/c1-13-5-7-16(8-6-13)29-9-3-4-19(29)21(31)28-22(25)26-12-15-10-17(23)20(18(24)11-15)27-14(2)30/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 PBOBULCZNUVQFB-IBGZPJMESA-N 50129284 CHEMBL3627965 Beta-secretase 1 Homo sapiens 3400 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193035 321902859 CHEMBL3627965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432192 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1 WDSDCADUXDBTFF-SFHVURJKSA-N 50129285 CHEMBL3627966 Beta-secretase 1 Homo sapiens 370 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193036 321902860 CHEMBL3627966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432193 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl InChI=1S/C21H22Cl2FN5O2/c1-12(30)27-19-16(22)9-13(10-17(19)23)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(24)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1 VLUDMIQMJKXOMK-SFHVURJKSA-N 50129286 CHEMBL3627967 Beta-secretase 1 Homo sapiens 7200 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193037 321902861 CHEMBL3627967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432194 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1 KDSDJZJPLCLBLB-SFHVURJKSA-N 50129287 CHEMBL3627968 Beta-secretase 1 Homo sapiens 600 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193038 321902862 CHEMBL3627968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432195 COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-22(25)28-21(31)19-4-3-9-29(19)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 PYWXOJOVUASRCD-IBGZPJMESA-N 50129288 CHEMBL3627969 Beta-secretase 1 Homo sapiens 300 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772624 321902863 CHEMBL3627969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432196 COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)9-14(10-18(20)24)12-26-22(25)28-21(31)19-7-4-8-29(19)15-5-3-6-16(11-15)32-2/h3,5-6,9-11,19H,4,7-8,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 XCMIRMNZMAETLZ-IBGZPJMESA-N 50129289 CHEMBL3627970 Beta-secretase 1 Homo sapiens 630 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193039 321902864 CHEMBL3627970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432197 CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/m1/s1 IZAZMKRRWGQPGM-APWZRJJASA-N 50129290 CHEMBL3627973 Beta-secretase 1 Homo sapiens 390 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772627 321902865 CHEMBL3627973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432200 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2CCCCN2c2ccccc2)cc1Cl InChI=1S/C22H25Cl2N5O2/c1-14(30)27-20-17(23)11-15(12-18(20)24)13-26-22(25)28-21(31)19-9-5-6-10-29(19)16-7-3-2-4-8-16/h2-4,7-8,11-12,19H,5-6,9-10,13H2,1H3,(H,27,30)(H3,25,26,28,31) HRNVXNSOTQUOOB-UHFFFAOYSA-N 50129291 CHEMBL3628121 Beta-secretase 1 Homo sapiens 420 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193183 321902866 CHEMBL3628121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432201 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl InChI=1S/C22H23Cl2N5O2/c1-12(30)27-19-17(23)7-13(8-18(19)24)10-26-22(25)28-21(31)20-16-9-14(16)11-29(20)15-5-3-2-4-6-15/h2-8,14,16,20H,9-11H2,1H3,(H,27,30)(H3,25,26,28,31) QLQBQRDFRJKVPY-UHFFFAOYSA-N 50129292 CHEMBL3628122 Beta-secretase 1 Homo sapiens 360 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772696 321902867 CHEMBL3628122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432202 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C25H28Cl2N6O3/c26-19-12-16-13-20(27)23(19)31-22(34)15-29-9-1-2-11-36-18-7-5-17(6-8-18)33-10-3-4-21(33)24(35)32-25(28)30-14-16/h1-2,5-8,12-13,21,29H,3-4,9-11,14-15H2,(H,31,34)(H3,28,30,32,35)/b2-1+/t21-/m0/s1 QZVULTBRCJQMMO-BTFLMBNSSA-N 50129293 CHEMBL3628124 Beta-secretase 1 Homo sapiens 1500 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193184 321902868 CHEMBL3628124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432203 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C26H30Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h1,3,6-9,13-14,22,30H,2,4-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/b3-1+/t22-/m0/s1 INHHPEGPWFCJLB-WHLCUDGSSA-N 50129294 CHEMBL3628125 Beta-secretase 1 Homo sapiens 110 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193185 321902869 CHEMBL3628125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432204 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C26H32Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h6-9,13-14,22,30H,1-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/t22-/m0/s1 HCUHNHRIBFNJKR-QFIPXVFZSA-N 50129295 CHEMBL3628126 Beta-secretase 1 Homo sapiens 92 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193186 321902870 CHEMBL3628126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432209 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m0/s1 BCQSEFIOHSNABX-SFHVURJKSA-N 50129298 CHEMBL3627958 Beta-secretase 1 Homo sapiens 340 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772565 321902873 CHEMBL3627958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432210 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl InChI=1S/C21H19Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,26,29)(H3,24,25,27,30) CVROYKIOIYVWGI-UHFFFAOYSA-N 50129372 CHEMBL3627957 Beta-secretase 1 Homo sapiens 4000 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193028 321902874 CHEMBL3627957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432211 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl InChI=1S/C20H18Cl2N6O2/c1-12(29)26-18-15(21)9-13(10-16(18)22)11-24-20(23)27-19(30)17-7-8-25-28(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,29)(H3,23,24,27,30) WLMCTOBMFJPCQP-UHFFFAOYSA-N 50129373 CHEMBL3627956 Beta-secretase 1 Homo sapiens 12000 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193027 321902875 CHEMBL3627956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432212 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C27H34Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h7-10,14-15,23,31H,1-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/t23-/m0/s1 BROUITSZMXUBKS-QHCPKHFHSA-N 50129296 CHEMBL3628128 Beta-secretase 1 Homo sapiens 3.2 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193188 321902871 CHEMBL3628128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432213 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C27H32Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h2,4,7-10,14-15,23,31H,1,3,5-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/b4-2+/t23-/m0/s1 XAPZEJASZMKPEN-ZGVNINRLSA-N 50129297 CHEMBL3628127 Beta-secretase 1 Homo sapiens 25 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193187 321902872 CHEMBL3628127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432262 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C26H32Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h6-9,13-14,22,30H,1-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/t22-/m0/s1 HCUHNHRIBFNJKR-QFIPXVFZSA-N 50129295 CHEMBL3628126 Beta-secretase 1 Homo sapiens 43 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193186 321902870 CHEMBL3628126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432269 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C26H30Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h1,3,6-9,13-14,22,30H,2,4-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/b3-1+/t22-/m0/s1 INHHPEGPWFCJLB-WHLCUDGSSA-N 50129294 CHEMBL3628125 Beta-secretase 1 Homo sapiens 20 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193185 321902869 CHEMBL3628125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432270 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C25H28Cl2N6O3/c26-19-12-16-13-20(27)23(19)31-22(34)15-29-9-1-2-11-36-18-7-5-17(6-8-18)33-10-3-4-21(33)24(35)32-25(28)30-14-16/h1-2,5-8,12-13,21,29H,3-4,9-11,14-15H2,(H,31,34)(H3,28,30,32,35)/b2-1+/t21-/m0/s1 QZVULTBRCJQMMO-BTFLMBNSSA-N 50129293 CHEMBL3628124 Beta-secretase 1 Homo sapiens 220 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193184 321902868 CHEMBL3628124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432282 COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C24H30Cl2N6O3/c1-31(2)14-21(33)29-22-18(25)11-15(12-19(22)26)13-28-24(27)30-23(34)20-5-4-10-32(20)16-6-8-17(35-3)9-7-16/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3,(H,29,33)(H3,27,28,30,34)/t20-/m0/s1 BHYMGGCQSHAYDO-FQEVSTJZSA-N 50129374 CHEMBL3628123 Beta-secretase 1 Homo sapiens 140 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772625 321902876 CHEMBL3628123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432283 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl InChI=1S/C21H19Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,26,29)(H3,24,25,27,30) CVROYKIOIYVWGI-UHFFFAOYSA-N 50129372 CHEMBL3627957 Beta-secretase 1 Homo sapiens 710 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193028 321902874 CHEMBL3627957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432295 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl InChI=1S/C20H18Cl2N6O2/c1-12(29)26-18-15(21)9-13(10-16(18)22)11-24-20(23)27-19(30)17-7-8-25-28(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,29)(H3,23,24,27,30) WLMCTOBMFJPCQP-UHFFFAOYSA-N 50129373 CHEMBL3627956 Beta-secretase 1 Homo sapiens 490 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193027 321902875 CHEMBL3627956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432299 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl InChI=1S/C22H23Cl2N5O2/c1-12(30)27-19-17(23)7-13(8-18(19)24)10-26-22(25)28-21(31)20-16-9-14(16)11-29(20)15-5-3-2-4-6-15/h2-8,14,16,20H,9-11H2,1H3,(H,27,30)(H3,25,26,28,31) QLQBQRDFRJKVPY-UHFFFAOYSA-N 50129292 CHEMBL3628122 Beta-secretase 1 Homo sapiens 100 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772696 321902867 CHEMBL3628122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432300 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2CCCCN2c2ccccc2)cc1Cl InChI=1S/C22H25Cl2N5O2/c1-14(30)27-20-17(23)11-15(12-18(20)24)13-26-22(25)28-21(31)19-9-5-6-10-29(19)16-7-3-2-4-8-16/h2-4,7-8,11-12,19H,5-6,9-10,13H2,1H3,(H,27,30)(H3,25,26,28,31) HRNVXNSOTQUOOB-UHFFFAOYSA-N 50129291 CHEMBL3628121 Beta-secretase 1 Homo sapiens 230 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193183 321902866 CHEMBL3628121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432303 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2[C@H]3CC[C@H](C3)N2c2ccccc2)cc1Cl InChI=1S/C23H25Cl2N5O2/c1-13(31)28-20-18(24)9-14(10-19(20)25)12-27-23(26)29-22(32)21-15-7-8-17(11-15)30(21)16-5-3-2-4-6-16/h2-6,9-10,15,17,21H,7-8,11-12H2,1H3,(H,28,31)(H3,26,27,29,32)/t15-,17+,21?/m0/s1 QAOMLJMIEONXPN-ONDKPXHOSA-N 50129375 CHEMBL3628120 Beta-secretase 1 Homo sapiens 560 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193182 321902877 CHEMBL3628120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432308 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl InChI=1S/C28H29Cl2N5O3/c1-18(36)33-26-23(29)12-20(13-24(26)30)15-32-28(31)34-27(37)25-14-22(38-17-19-8-4-2-5-9-19)16-35(25)21-10-6-3-7-11-21/h2-13,22,25H,14-17H2,1H3,(H,33,36)(H3,31,32,34,37)/t22-,25+/m1/s1 GNFFCOREKIKKBF-RDGATRHJSA-N 50129376 CHEMBL3627977 Beta-secretase 1 Homo sapiens 420 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193045 321902878 CHEMBL3627977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432309 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl InChI=1S/C28H29Cl2N5O3/c1-18(36)33-26-23(29)12-20(13-24(26)30)15-32-28(31)34-27(37)25-14-22(38-17-19-8-4-2-5-9-19)16-35(25)21-10-6-3-7-11-21/h2-13,22,25H,14-17H2,1H3,(H,33,36)(H3,31,32,34,37)/t22-,25-/m0/s1 GNFFCOREKIKKBF-DHLKQENFSA-N 50129377 CHEMBL3627976 Beta-secretase 1 Homo sapiens 1800 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193044 321902879 CHEMBL3627976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432310 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C27H34Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h7-10,14-15,23,31H,1-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/t23-/m0/s1 BROUITSZMXUBKS-QHCPKHFHSA-N 50129296 CHEMBL3628128 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193188 321902871 CHEMBL3628128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432311 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C27H32Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h2,4,7-10,14-15,23,31H,1,3,5-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/b4-2+/t23-/m0/s1 XAPZEJASZMKPEN-ZGVNINRLSA-N 50129297 CHEMBL3628127 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193187 321902872 CHEMBL3628127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432314 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C26H32Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h6-9,13-14,22,30H,1-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/t22-/m0/s1 HCUHNHRIBFNJKR-QFIPXVFZSA-N 50129295 CHEMBL3628126 Beta-secretase 1 Homo sapiens 570 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193186 321902870 CHEMBL3628126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432315 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C26H30Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h1,3,6-9,13-14,22,30H,2,4-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/b3-1+/t22-/m0/s1 INHHPEGPWFCJLB-WHLCUDGSSA-N 50129294 CHEMBL3628125 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193185 321902869 CHEMBL3628125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432321 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C25H28Cl2N6O3/c26-19-12-16-13-20(27)23(19)31-22(34)15-29-9-1-2-11-36-18-7-5-17(6-8-18)33-10-3-4-21(33)24(35)32-25(28)30-14-16/h1-2,5-8,12-13,21,29H,3-4,9-11,14-15H2,(H,31,34)(H3,28,30,32,35)/b2-1+/t21-/m0/s1 QZVULTBRCJQMMO-BTFLMBNSSA-N 50129293 CHEMBL3628124 Beta-secretase 1 Homo sapiens 880 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193184 321902868 CHEMBL3628124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432322 COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 InChI=1S/C24H30Cl2N6O3/c1-31(2)14-21(33)29-22-18(25)11-15(12-19(22)26)13-28-24(27)30-23(34)20-5-4-10-32(20)16-6-8-17(35-3)9-7-16/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3,(H,29,33)(H3,27,28,30,34)/t20-/m0/s1 BHYMGGCQSHAYDO-FQEVSTJZSA-N 50129374 CHEMBL3628123 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772625 321902876 CHEMBL3628123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432328 COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)9-14(10-18(20)24)12-26-22(25)28-21(31)19-7-4-8-29(19)15-5-3-6-16(11-15)32-2/h3,5-6,9-11,19H,4,7-8,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 XCMIRMNZMAETLZ-IBGZPJMESA-N 50129289 CHEMBL3627970 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193039 321902864 CHEMBL3627970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432329 COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-22(25)28-21(31)19-4-3-9-29(19)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 PYWXOJOVUASRCD-IBGZPJMESA-N 50129288 CHEMBL3627969 Beta-secretase 1 Homo sapiens 520 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772624 321902863 CHEMBL3627969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432334 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1 KDSDJZJPLCLBLB-SFHVURJKSA-N 50129287 CHEMBL3627968 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193038 321902862 CHEMBL3627968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432335 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1 WDSDCADUXDBTFF-SFHVURJKSA-N 50129285 CHEMBL3627966 Beta-secretase 1 Homo sapiens 580 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193036 321902860 CHEMBL3627966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432340 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m0/s1 BCQSEFIOHSNABX-SFHVURJKSA-N 50129298 CHEMBL3627958 Beta-secretase 1 Homo sapiens 680 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772565 321902873 CHEMBL3627958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432346 N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2 InChI=1S/C27H32Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h2,4,7-10,14-15,23,31H,1,3,5-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/b4-2+/t23-/m0/s1 XAPZEJASZMKPEN-ZGVNINRLSA-N 50129297 CHEMBL3628127 Beta-secretase 1 Homo sapiens 59 6.4 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193187 321902872 CHEMBL3628127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432354 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)Oc2ccccc2)cc1Cl InChI=1S/C27H27Cl2N5O3/c1-17(35)32-25-22(28)12-18(13-23(25)29)15-31-27(30)33-26(36)24-14-21(37-20-10-6-3-7-11-20)16-34(24)19-8-4-2-5-9-19/h2-13,21,24H,14-16H2,1H3,(H,32,35)(H3,30,31,33,36)/t21-,24-/m0/s1 VHNFIXHOLBUZDE-URXFXBBRSA-N 50129378 CHEMBL3627975 Beta-secretase 1 Homo sapiens 1900 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193043 321902880 CHEMBL3627975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432361 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)c2ccccc2)cc1Cl InChI=1S/C27H27Cl2N5O2/c1-17(35)32-25-22(28)12-18(13-23(25)29)15-31-27(30)33-26(36)24-14-20(19-8-4-2-5-9-19)16-34(24)21-10-6-3-7-11-21/h2-13,20,24H,14-16H2,1H3,(H,32,35)(H3,30,31,33,36)/t20-,24-/m0/s1 PEVPVBPKLSWPED-RDPSFJRHSA-N 50129379 CHEMBL3627974 Beta-secretase 1 Homo sapiens 530 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193042 321902881 CHEMBL3627974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432367 CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/m1/s1 IZAZMKRRWGQPGM-APWZRJJASA-N 50129290 CHEMBL3627973 Beta-secretase 1 Homo sapiens 78 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772627 321902865 CHEMBL3627973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432376 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](O)CN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O3/c1-12(29)26-19-16(22)7-13(8-17(19)23)10-25-21(24)27-20(31)18-9-15(30)11-28(18)14-5-3-2-4-6-14/h2-8,15,18,30H,9-11H2,1H3,(H,26,29)(H3,24,25,27,31)/t15-,18+/m1/s1 ONWRXUHMPCGBDB-QAPCUYQASA-N 50129380 CHEMBL3627972 Beta-secretase 1 Homo sapiens 610 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193041 321902882 CHEMBL3627972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432377 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O3/c1-12(29)26-19-16(22)7-13(8-17(19)23)10-25-21(24)27-20(31)18-9-15(30)11-28(18)14-5-3-2-4-6-14/h2-8,15,18,30H,9-11H2,1H3,(H,26,29)(H3,24,25,27,31)/t15-,18-/m0/s1 ONWRXUHMPCGBDB-YJBOKZPZSA-N 50129381 CHEMBL3627971 Beta-secretase 1 Homo sapiens 790 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193040 321902883 CHEMBL3627971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50437722 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(17(20)27-9-15(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,17H,9H2,1H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 XHHSQAOCTYSLLM-ZWKOTPCHSA-N 50131809 CHEMBL3634342 Beta-secretase 1 Homo sapiens 8.1 ChEMBL 10.1021/acs.jmedchem.5b01101 10.7270/Q2ST7RPR 26378740 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 81689770 321903401 CHEMBL3634342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432385 COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)9-14(10-18(20)24)12-26-22(25)28-21(31)19-7-4-8-29(19)15-5-3-6-16(11-15)32-2/h3,5-6,9-11,19H,4,7-8,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 XCMIRMNZMAETLZ-IBGZPJMESA-N 50129289 CHEMBL3627970 Beta-secretase 1 Homo sapiens 260 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193039 321902864 CHEMBL3627970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432386 COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-22(25)28-21(31)19-4-3-9-29(19)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 PYWXOJOVUASRCD-IBGZPJMESA-N 50129288 CHEMBL3627969 Beta-secretase 1 Homo sapiens 110 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772624 321902863 CHEMBL3627969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432391 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1 KDSDJZJPLCLBLB-SFHVURJKSA-N 50129287 CHEMBL3627968 Beta-secretase 1 Homo sapiens 130 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193038 321902862 CHEMBL3627968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432392 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl InChI=1S/C21H22Cl2FN5O2/c1-12(30)27-19-16(22)9-13(10-17(19)23)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(24)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1 VLUDMIQMJKXOMK-SFHVURJKSA-N 50129286 CHEMBL3627967 Beta-secretase 1 Homo sapiens 450 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193037 321902861 CHEMBL3627967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432399 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1 WDSDCADUXDBTFF-SFHVURJKSA-N 50129285 CHEMBL3627966 Beta-secretase 1 Homo sapiens 150 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193036 321902860 CHEMBL3627966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432404 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl InChI=1S/C22H25Cl2N5O2/c1-13-5-7-16(8-6-13)29-9-3-4-19(29)21(31)28-22(25)26-12-15-10-17(23)20(18(24)11-15)27-14(2)30/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1 PBOBULCZNUVQFB-IBGZPJMESA-N 50129284 CHEMBL3627965 Beta-secretase 1 Homo sapiens 1400 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193035 321902859 CHEMBL3627965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432405 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCCc3ccccc23)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-12(29)26-19-16(22)9-13(10-17(19)23)11-25-20(24)28-21(30)27-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-10,18H,4,6,8,11H2,1H3,(H,26,29)(H4,24,25,27,28,30)/t18-/m0/s1 HUJGZCRWHCDGCX-SFHVURJKSA-N 50129283 CHEMBL3627964 Beta-secretase 1 Homo sapiens 13000 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193034 321902858 CHEMBL3627964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432409 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCc3ccccc23)cc1Cl InChI=1S/C20H21Cl2N5O2/c1-11(28)25-18-15(21)8-12(9-16(18)22)10-24-19(23)27-20(29)26-17-7-6-13-4-2-3-5-14(13)17/h2-5,8-9,17H,6-7,10H2,1H3,(H,25,28)(H4,23,24,26,27,29)/t17-/m0/s1 RIXVBKVNCRGTKJ-KRWDZBQOSA-N 50129282 CHEMBL3627963 Beta-secretase 1 Homo sapiens 10000 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193033 321902857 CHEMBL3627963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432410 COc1ccc(cc1)C1CCCN1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-21(25)28-22(31)29-9-3-4-19(29)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31) CXBJQMTTWNLFSY-UHFFFAOYSA-N 50129382 CHEMBL3627962 Beta-secretase 1 Homo sapiens 2300 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193032 321902884 CHEMBL3627962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432412 C[C@H](NC(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 InChI=1S/C19H21Cl2N5O2/c1-11(14-6-4-3-5-7-14)24-19(28)26-18(22)23-10-13-8-15(20)17(16(21)9-13)25-12(2)27/h3-9,11H,10H2,1-2H3,(H,25,27)(H4,22,23,24,26,28)/t11-/m0/s1 PEMUPQXTGRRHPC-NSHDSACASA-N 50129281 CHEMBL3627961 Beta-secretase 1 Homo sapiens 990 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193031 321902856 CHEMBL3627961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432413 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl InChI=1S/C18H18Cl2N4O3/c1-11(25)23-16-14(19)7-13(8-15(16)20)9-22-17(21)24-18(26)27-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,23,25)(H3,21,22,24,26) YOXYQRSJPPMEJG-UHFFFAOYSA-N 50129280 CHEMBL3627960 Beta-secretase 1 Homo sapiens 7000 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193030 321902855 CHEMBL3627960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432417 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@H]2CCCN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m1/s1 BCQSEFIOHSNABX-GOSISDBHSA-N 50129279 CHEMBL3627959 Beta-secretase 1 Homo sapiens 3100 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122193029 321902854 CHEMBL3627959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50432420 CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m0/s1 BCQSEFIOHSNABX-SFHVURJKSA-N 50129298 CHEMBL3627958 Beta-secretase 1 Homo sapiens 210 5 ChEMBL 10.1016/j.bmcl.2015.10.031 10.7270/Q2CZ390J 26497283 Boy, KM; Guernon, JM; Wu, YJ; Zhang, Y; Shi, J; Zhai, W; Zhu, S; Gerritz, SW; Toyn, JH; Meredith, JE; Barten, DM; Burton, CR; Albright, CF; Good, AC; Grace, JE; Lentz, KA; Olson, RE; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24772565 321902873 CHEMBL3627958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50445319 COc1ccc(\C=C\C(=N\NC(N)=N)\c2ccc(Cl)cc2)cc1OC InChI=1S/C18H19ClN4O2/c1-24-16-10-4-12(11-17(16)25-2)3-9-15(22-23-18(20)21)13-5-7-14(19)8-6-13/h3-11H,1-2H3,(H4,20,21,23)/b9-3+,22-15- SPXKWYUYYZCLGN-HMWNBINRSA-N 50134770 CHEMBL3754357 Beta-secretase 1 Homo sapiens 6423 ChEMBL 10.1016/j.bmcl.2015.11.044 10.7270/Q23T9K1Q 26614409 Jain, P; Wadhwa, PK; Rohilla, S; Jadhav, HR Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127037187 336951655 CHEMBL3754357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452608 COc1cccc2cc(oc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C30H35N3O3/c1-35-26-17-11-12-21-20-27(36-29(21)26)30(34)32-19-10-4-2-3-9-18-31-28-22-13-5-7-15-24(22)33-25-16-8-6-14-23(25)28/h5,7,11-13,15,17,20H,2-4,6,8-10,14,16,18-19H2,1H3,(H,31,33)(H,32,34) DVCKLXBGJWQNDS-UHFFFAOYSA-N 50138429 CHEMBL3752926 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127036055 336952123 CHEMBL3752926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452609 C(CCCNCc1cc2ccccc2o1)CCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C29H35N3O/c1(2-10-18-30-21-23-20-22-12-4-9-17-28(22)33-23)3-11-19-31-29-24-13-5-7-15-26(24)32-27-16-8-6-14-25(27)29/h4-5,7,9,12-13,15,17,20,30H,1-3,6,8,10-11,14,16,18-19,21H2,(H,31,32) LJASCSHXLYLOCF-UHFFFAOYSA-N 50138279 CHEMBL3752467 Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HTB 4W63 91864546 104028344 CHEMBL3752467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452610 COc1cccc2cc(CN(CCCCCCNc3c4CCCCc4nc4ccccc34)Cc3cc4cccc(OC)c4o3)oc12 InChI=1S/C39H43N3O4/c1-43-35-19-11-13-27-23-29(45-38(27)35)25-42(26-30-24-28-14-12-20-36(44-2)39(28)46-30)22-10-4-3-9-21-40-37-31-15-5-7-17-33(31)41-34-18-8-6-16-32(34)37/h5,7,11-15,17,19-20,23-24H,3-4,6,8-10,16,18,21-22,25-26H2,1-2H3,(H,40,41) QSCSHQVZPPAOCR-UHFFFAOYSA-N 50138463 CHEMBL3753957 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127036233 336952131 CHEMBL3753957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452611 C(CCCNc1c2CCCCc2nc2ccccc12)CCCN(Cc1cc2ccccc2o1)Cc1cc2ccccc2o1 InChI=1S/C38H41N3O2/c1(2-12-22-39-38-32-16-6-8-18-34(32)40-35-19-9-7-17-33(35)38)3-13-23-41(26-30-24-28-14-4-10-20-36(28)42-30)27-31-25-29-15-5-11-21-37(29)43-31/h4-6,8,10-11,14-16,18,20-21,24-25H,1-3,7,9,12-13,17,19,22-23,26-27H2,(H,39,40) TWJOHEVVRIJHJT-UHFFFAOYSA-N 50138282 CHEMBL3753360 Beta-secretase 1 Homo sapiens 620 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127037241 336952110 CHEMBL3753360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452612 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) ITZOKHKOFJOBFS-UHFFFAOYSA-N 8963 CHEMBL32823::Homodimeric Tacrine Analog 3b::N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 3b::Tacrine-Based Inhibitor 2f::tacrine homobivalent compound 3a Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AA7 2CKM,5EI5 9549196 46509739 CHEMBL32823 ZINC01893945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452613 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 RQNDBCCGDQWADT-UHFFFAOYSA-N 50231951 2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL231160::memoquin Beta-secretase 1 Homo sapiens 108 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91615478 104055375 CHEMBL231160 ZINC34803904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50452614 NC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C9H9FN4O/c10-6-3-1-5(2-4-6)7-12-8(11)14-9(15)13-7/h1-4,7H,(H4,11,12,13,14,15) IIPYBCQHBOPOGK-UHFFFAOYSA-N 50138465 CHEMBL3752684 Beta-secretase 1 Homo sapiens 18030 ChEMBL 10.1021/acs.jmedchem.5b01119 10.7270/Q2S75J5X 26632651 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44365237 85538617 CHEMBL3752684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465957 Fc1cc(F)cc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4cc(F)cc(F)c4)cc3)cc2)c1 InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-18H,19-21H2/b7-1+,8-2+ OKKXVIOMDRYNPN-FACPPWRESA-N 50145910 CHEMBL3765711 Beta-secretase 1 Homo sapiens 730 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539077 104034599 CHEMBL3765711 ZINC13470453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465958 Fc1ccc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4ccc(F)cc4F)cc3)cc2)c(F)c1 InChI=1S/C33H24F4O4/c34-26-9-7-24(32(36)17-26)20-40-30-13-3-22(4-14-30)1-11-28(38)19-29(39)12-2-23-5-15-31(16-6-23)41-21-25-8-10-27(35)18-33(25)37/h1-18H,19-21H2/b11-1+,12-2+ NYMSQTDFBPRLNH-NJDSBKIZSA-N 50145912 CHEMBL3765195 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539045 104034601 CHEMBL3765195 ZINC13470425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465959 O=C(CC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)\C=C\c1ccc(OCc2ccccc2)cc1 InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-22H,23-25H2/b17-11+,18-12+ STUXYCMISVZRLV-JYFOCSDGSA-N 50145913 CHEMBL3765319 Beta-secretase 1 Homo sapiens 6040 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539054 104034602 CHEMBL3765319 ZINC13470433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465960 COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3 JFOLIEXFFOBCSM-UHFFFAOYSA-N 50059982 (1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::CHEMBL103006 Beta-secretase 1 Homo sapiens >5000 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5469423 103955757 CHEMBL103006 ZINC05503184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465961 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ VFLDPWHFBUODDF-FCXRPNKRSA-N 50140172 CHEBI:3962::CHEMBL140::Curcumin::US9409845, Table 1, Compound 21: curcumin Beta-secretase 1 Homo sapiens 343000 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search CC9 6HDR 969516 336952476 CHEMBL140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465962 O\C(\C=C\c1ccc(OCc2cccc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1 InChI=1S/C33H26F2O4/c34-28-5-1-3-26(19-28)22-38-32-15-9-24(10-16-32)7-13-30(36)21-31(37)14-8-25-11-17-33(18-12-25)39-23-27-4-2-6-29(35)20-27/h1-21,36H,22-23H2/b13-7+,14-8+,30-21- FHAMIQUCNOMWEP-PHCGPCCESA-N 50145916 CHEMBL3763264 Beta-secretase 1 Homo sapiens 1080 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539084 104034605 CHEMBL3763264 ZINC13470460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465963 O\C(\C=C\c1ccc(OCc2ccc(F)cc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 InChI=1S/C33H26F2O4/c34-28-11-1-26(2-12-28)22-38-32-17-7-24(8-18-32)5-15-30(36)21-31(37)16-6-25-9-19-33(20-10-25)39-23-27-3-13-29(35)14-4-27/h1-21,36H,22-23H2/b15-5+,16-6+,30-21- MHVGZCPKGHQGTC-MOEUFCPGSA-N 50145917 CHEMBL3764465 Beta-secretase 1 Homo sapiens 1040 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539111 104034606 CHEMBL3764465 ZINC13470484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465964 O\C(\C=C\c1ccc(OCc2cc(F)cc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cc(F)cc(F)c2)cc1 InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-19,38H,20-21H2/b7-1+,8-2+,30-19- NELFPAAIIPLLNO-IPARUQOGSA-N 50145900 CHEMBL3765050 Beta-secretase 1 Homo sapiens 390 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539047 104034589 CHEMBL3765050 ZINC13470427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465965 O\C(\C=C\c1ccc(OCc2ccc(F)cc2F)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2F)cc1 InChI=1S/C33H24F4O4/c34-26-9-7-24(32(36)17-26)20-40-30-13-3-22(4-14-30)1-11-28(38)19-29(39)12-2-23-5-15-31(16-6-23)41-21-25-8-10-27(35)18-33(25)37/h1-19,38H,20-21H2/b11-1+,12-2+,28-19- JNJLIKNJRLIHNE-OWFWYVCQSA-N 50145902 CHEMBL3764532 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539069 104034591 CHEMBL3764532 ZINC13470445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465966 O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-23,34H,24-25H2/b17-11+,18-12+,30-23- QPNANWKMFHLDHE-UCFFPRQFSA-N 50145903 CHEMBL3763728 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539075 104034592 CHEMBL3763728 ZINC13470451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465967 O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(O)cc1 InChI=1S/C26H22O4/c27-23-12-6-20(7-13-23)8-14-24(28)18-25(29)15-9-21-10-16-26(17-11-21)30-19-22-4-2-1-3-5-22/h1-18,27,29H,19H2/b14-8+,15-9+,25-18- YOJKQOSPUHMLEN-JOCUITRLSA-N 50145904 CHEMBL3765061 Beta-secretase 1 Homo sapiens 2690 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539068 104034593 CHEMBL3765061 ZINC13470444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465968 COc1ccc(\C=C\C(=O)\C=C(/O)\C=C\c2ccc(OCc3ccccc3)cc2)cc1 InChI=1S/C27H24O4/c1-30-26-15-9-21(10-16-26)7-13-24(28)19-25(29)14-8-22-11-17-27(18-12-22)31-20-23-5-3-2-4-6-23/h2-19,29H,20H2,1H3/b13-7+,14-8+,25-19- QIJBQZWIBKXHQR-JYQZHLRBSA-N 50145905 CHEMBL3763815 Beta-secretase 1 Homo sapiens 2280 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539057 104034594 CHEMBL3763815 ZINC13470436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465969 COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)cc2)cc1 InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-15,22H,1-2H3/b9-3+,10-4+,18-15- UOIUXHFXWVZDEI-WTJGCYTNSA-N 50145906 CHEMBL454662 Beta-secretase 1 Homo sapiens 1650 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10533009 104034595 CHEMBL454662 ZINC12354826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465970 O\C(\C=C\c1ccc(O)cc1)=C/C(=O)/C=C/c1ccc(O)cc1 InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13- YXAKCQIIROBKOP-HSSGTREWSA-N 50145907 CHEMBL131770 Beta-secretase 1 Homo sapiens 2540 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539058 104034596 CHEMBL131770 C17743 ZINC13470437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465971 COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(C)cc2)ccc1O InChI=1S/C21H20O4/c1-15-3-5-16(6-4-15)7-10-18(22)14-19(23)11-8-17-9-12-20(24)21(13-17)25-2/h3-14,23-24H,1-2H3/b10-7+,11-8+,19-14- VXALTXDOWJREFA-MZIOZFBKSA-N 50145908 CHEMBL3763318 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539067 104034597 CHEMBL3763318 ZINC13470443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50465972 COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1O InChI=1S/C27H24O5/c1-31-27-17-21(11-16-26(27)30)8-13-24(29)18-23(28)12-7-20-9-14-25(15-10-20)32-19-22-5-3-2-4-6-22/h2-18,29-30H,19H2,1H3/b12-7+,13-8+,24-18- IWISRWPEVRRXIO-ANCJGQNFSA-N 50145909 CHEMBL3763944 Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1021/acs.jmedchem.5b00894 10.7270/Q27P9183 26696252 Di Martino, RM; De Simone, A; Andrisano, V; Bisignano, P; Bisi, A; Gobbi, S; Rampa, A; Fato, R; Bergamini, C; Perez, DI; Martinez, A; Bottegoni, G; Cavalli, A; Belluti, F Alma Mater Studiorum-University of Bologna http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539121 104034598 CHEMBL3763944 ZINC13470490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497698 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) RTOUKFMBOVMEOT-UHFFFAOYSA-N 50172100 CHEMBL3809870 Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68K 5I3Y 118797905 346548607 CHEMBL3809870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497707 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) QLQWEADMFLXRFH-UHFFFAOYSA-N 50172104 CHEMBL3808441 Beta-secretase 1 Homo sapiens 191 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68J 5I3X 118797904 346548611 CHEMBL3808441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497708 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) PSZHCLIOXMDYSF-UHFFFAOYSA-N 50172105 CHEMBL3808967 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127044941 346548612 CHEMBL3808967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497709 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) LXBIVXKQYPZTSX-UHFFFAOYSA-N 50172106 CHEMBL3809897 Beta-secretase 1 Homo sapiens 458 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127045094 346548613 CHEMBL3809897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497710 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) RTOUKFMBOVMEOT-UHFFFAOYSA-N 50172100 CHEMBL3809870 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68K 5I3Y 118797905 346548607 CHEMBL3809870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497711 Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCCC(C)(C)C)cc2c1 InChI=1S/C25H31N3O/c1-17-7-5-6-8-21(17)18-9-11-22-20(15-18)16-19(24(26)28-22)10-12-23(29)27-14-13-25(2,3)4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H2,26,28)(H,27,29) XKCSLMBNFSFIEK-UHFFFAOYSA-N 50172103 CHEMBL3808672 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6BS 5IE1 53236891 346548610 CHEMBL3808672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497712 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) QLQWEADMFLXRFH-UHFFFAOYSA-N 50172104 CHEMBL3808441 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68J 5I3X 118797904 346548611 CHEMBL3808441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497713 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) PSZHCLIOXMDYSF-UHFFFAOYSA-N 50172105 CHEMBL3808967 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127044941 346548612 CHEMBL3808967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497714 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) LXBIVXKQYPZTSX-UHFFFAOYSA-N 50172106 CHEMBL3809897 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127045094 346548613 CHEMBL3809897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497715 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) RTOUKFMBOVMEOT-UHFFFAOYSA-N 50172100 CHEMBL3809870 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68K 5I3Y 118797905 346548607 CHEMBL3809870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497716 Cc1ccccc1-c1ccc2nc(N)ccc2c1 InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) CGNIKISUVFSKGJ-UHFFFAOYSA-N 50351914 CHEMBL1821803 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53465787 136358600 CHEMBL1821803 ZINC72178571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497717 Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1 InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) URPKVELJRWKNQS-UHFFFAOYSA-N 64871 N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide::N-(6-chloro-3-pyridinyl)-4-fluorobenzamide::N-(6-chloro-3-pyridyl)-4-fluoro-benzamide::N-(6-chloropyridin-3-yl)-4-fluorobenzamide::US11365181, Compound ZTZ240::ZTZ240::cid_3780776 Beta-secretase 1 Homo sapiens 114000 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=64871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=64871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search GB9 7CR4,7CR1 3780776 252643828 ZINC04106322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497718 NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(cc21)C1=CCCOC1 InChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32) ATJYSDBHTACSOH-UHFFFAOYSA-N 50172102 CHEMBL3809662 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172102&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127044896 346548609 CHEMBL3809662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497719 C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m0/s1 ZVOWIRUWKAUSAB-KRWDZBQOSA-N 50172101 CHEMBL3808988 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127044735 346548608 CHEMBL3808988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497720 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) QLQWEADMFLXRFH-UHFFFAOYSA-N 50172104 CHEMBL3808441 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68J 5I3X 118797904 346548611 CHEMBL3808441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497721 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) PSZHCLIOXMDYSF-UHFFFAOYSA-N 50172105 CHEMBL3808967 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127044941 346548612 CHEMBL3808967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50497722 CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) LXBIVXKQYPZTSX-UHFFFAOYSA-N 50172106 CHEMBL3809897 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/acs.jmedchem.5b01917 10.7270/Q2RF5WXP 26978477 Jordan, JB; Whittington, DA; Bartberger, MD; Sickmier, EA; Chen, K; Cheng, Y; Judd, T Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50172106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50172106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127045094 346548613 CHEMBL3809897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495904 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495905 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C InChI=1S/C22H22F2N6O3S/c1-10-18(11(2)33-30-10)16-7-22(3,29-21(25)34-16)13-5-12(6-14(23)19(13)24)28-20(31)15-8-27-17(32-4)9-26-15/h5-6,8-9,16H,7H2,1-4H3,(H2,25,29)(H,28,31)/t16-,22-/m0/s1 IFMZPRCGPCQBAP-AOMKIAJQSA-N 50169351 CHEMBL3805852 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127048530 341104744 CHEMBL3805852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495906 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1F InChI=1S/C22H21ClFN5O2S/c1-11-18(12(2)31-29-11)17-9-22(3,28-21(25)32-17)14-5-4-6-15(19(14)24)27-20(30)16-8-7-13(23)10-26-16/h4-8,10,17H,9H2,1-3H3,(H2,25,28)(H,27,30)/t17-,22-/m0/s1 NDABQFTWZIUMRL-JTSKRJEESA-N 50169364 CHEMBL3805766 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127048529 341104745 CHEMBL3805766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495907 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C22H21ClFN5O2S/c1-11-19(12(2)31-29-11)18-9-22(3,28-21(25)32-18)13-6-15(24)8-16(7-13)27-20(30)17-5-4-14(23)10-26-17/h4-8,10,18H,9H2,1-3H3,(H2,25,28)(H,27,30)/t18-,22-/m0/s1 DWSSTHXMTZHSDM-AVRDEDQJSA-N 50169365 CHEMBL3806215 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127048528 341104746 CHEMBL3806215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495908 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C22H20ClF2N5O2S/c1-10-18(11(2)32-30-10)17-8-22(3,29-21(26)33-17)14-6-13(7-15(24)19(14)25)28-20(31)16-5-4-12(23)9-27-16/h4-7,9,17H,8H2,1-3H3,(H2,26,29)(H,28,31)/t17-,22-/m0/s1 KYQAJFJHIJPKNB-JTSKRJEESA-N 50169366 CHEMBL3806322 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127048527 341104747 CHEMBL3806322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495909 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)c(F)cc1F InChI=1S/C22H20ClF2N5O2S/c1-10-19(11(2)32-30-10)18-8-22(3,29-21(26)33-18)13-6-17(15(25)7-14(13)24)28-20(31)16-5-4-12(23)9-27-16/h4-7,9,18H,8H2,1-3H3,(H2,26,29)(H,28,31)/t18-,22-/m0/s1 YTXPWKAAQCLYBO-AVRDEDQJSA-N 50169367 CHEMBL3804970 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127048180 341104748 CHEMBL3804970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495910 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClFN5O2S/c1-10-19(11(2)30-28-10)18-8-17(27-21(24)31-18)14-7-13(4-5-15(14)23)26-20(29)16-6-3-12(22)9-25-16/h3-7,9,17-18H,8H2,1-2H3,(H2,24,27)(H,26,29)/t17-,18-/m0/s1 ZYNPCAGVFPNCGE-ROUUACIJSA-N 50169368 CHEMBL3806050 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253303 341104749 CHEMBL3806050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495911 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)17-6-20(3,26-19(23)29-17)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1 UWUREBMKVJWTPP-PXNSSMCTSA-N 50088174 CHEMBL3427251 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5QV 5ENK 90253366 313083712 CHEMBL3427251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495912 Cc1oncc1[C@]1(C)C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C19H17F2N5OS/c1-10-14(8-25-27-10)19(2)5-17(26-18(22)28-19)13-3-12(15(20)4-16(13)21)11-6-23-9-24-7-11/h3-4,6-9,17H,5H2,1-2H3,(H2,22,26)/t17-,19-/m0/s1 FEBKATWSJYJAHE-HKUYNNGSSA-N 50169379 CHEMBL3806227 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118517247 104054203 CHEMBL3806227 ZINC28108295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495913 Cc1noc(C)c1[C@]1(C)C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)20(3)6-17(26-19(23)29-20)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1 CKWDCGLBDXCILZ-PXNSSMCTSA-N 50169399 CHEMBL3806093 Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118517248 341104750 CHEMBL3806093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495914 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1 ZNDAYQFTAYAHER-IRXDYDNUSA-N 50088170 CHEMBL3427247 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253316 313083708 CHEMBL3427247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495915 Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H19N5OS/c1-11-18(12(2)25-24-11)17-7-16(23-19(20)26-17)14-5-3-4-13(6-14)15-8-21-10-22-9-15/h3-6,8-10,16-17H,7H2,1-2H3,(H2,20,23)/t16-,17-/m0/s1 OTJAZSWMNQGVHJ-IRXDYDNUSA-N 50088167 CHEMBL3427246 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118517237 313083707 CHEMBL3427246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495916 COc1ccc(cc1OC)[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C22H20F2N4O2S/c1-29-19-4-3-12(5-20(19)30-2)21-8-18(28-22(25)31-21)15-6-14(16(23)7-17(15)24)13-9-26-11-27-10-13/h3-7,9-11,18,21H,8H2,1-2H3,(H2,25,28)/t18-,21-/m0/s1 FUYTUUXGSUBQML-RXVVDRJESA-N 50169400 CHEMBL3806048 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90238856 341104751 CHEMBL3806048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495917 COc1ccc(cc1OC)[C@@H]1C[C@H](N=C(N)S1)c1cccc(c1)-c1cncnc1 InChI=1S/C22H22N4O2S/c1-27-19-7-6-16(9-20(19)28-2)21-10-18(26-22(23)29-21)15-5-3-4-14(8-15)17-11-24-13-25-12-17/h3-9,11-13,18,21H,10H2,1-2H3,(H2,23,26)/t18-,21-/m0/s1 PWMVRXRKSCIKJR-RXVVDRJESA-N 50169401 CHEMBL3806161 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253364 341104752 CHEMBL3806161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50495918 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/acsmedchemlett.5b00432 10.7270/Q2NS0WTZ 26985314 Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491791 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C19H21FN6O2/c1-11-14(20)15(28-3)23-18(22-11)26-9-13-16(27)25(2)17(21)24-19(13,10-26)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H2,21,24)/t13-,19+/m0/s1 CYEJSPJMRTVXJN-ORAYPTAESA-N 102941 US8541427, 12 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467507 172098232 ZINC96173853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491792 CNc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C18H19FN8OS/c1-9-13(19)14(22-2)24-17(23-9)27-7-11-15(28)26(3)16(21)25-18(11,8-27)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,25)(H,22,23,24)/t11-,18-/m0/s1 ZGUINBOSNMEMBB-VOJFVSQTSA-N 50164504 CHEMBL3799879 Beta-secretase 1 Homo sapiens 336 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60S 5HE5 118796840 341097457 CHEMBL3799879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491793 CSc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C18H18FN7OS2/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1 RVOBSBJZKQOYEK-VOJFVSQTSA-N 50164505 CHEMBL3797680 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 954 5HDZ 118796839 341097458 CHEMBL3797680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491794 CCOc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C19H20FN7O2S/c1-4-29-15-14(20)10(2)23-18(24-15)27-8-12-16(28)26(3)17(22)25-19(12,9-27)13-6-5-11(7-21)30-13/h5-6,12H,4,8-9H2,1-3H3,(H2,22,25)/t12-,19-/m0/s1 NAIWJSDALLQSJO-BUXKBTBVSA-N 50164506 CHEMBL3799339 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60U 5HDX 44479524 341097459 CHEMBL3799339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491795 CCCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1 InChI=1S/C19H22ClFN6O2S/c1-4-5-11-14(21)15(29-3)24-18(23-11)27-8-10-16(28)26(2)17(22)25-19(10,9-27)12-6-7-13(20)30-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,22,25)/t10-,19-/m0/s1 KPZCPKGBTLMHPQ-OVWNDWIMSA-N 50164507 CHEMBL3798760 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44479264 341097460 CHEMBL3798760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491796 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1 InChI=1S/C18H20ClFN6O2S/c1-4-10-13(20)14(28-3)23-17(22-10)26-7-9-15(27)25(2)16(21)24-18(9,8-26)11-5-6-12(19)29-11/h5-6,9H,4,7-8H2,1-3H3,(H2,21,24)/t9-,18-/m0/s1 ZTDGQYJGQFFPJD-YYSFKGJASA-N 50164508 CHEMBL3797321 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478997 341097461 CHEMBL3797321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491797 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1 InChI=1S/C17H18ClFN6O2S/c1-8-12(19)13(27-3)22-16(21-8)25-6-9-14(26)24(2)15(20)23-17(9,7-25)10-4-5-11(18)28-10/h4-5,9H,6-7H2,1-3H3,(H2,20,23)/t9-,17-/m0/s1 AQAKKPAIUKJXTE-XYZCENFISA-N 50164509 CHEMBL3798199 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478726 341097462 CHEMBL3798199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491798 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C18H18FN7O2S/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1 ZPAVWCJTQRQRQL-VOJFVSQTSA-N 50164510 CHEMBL3798544 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60V 5HDV 44247586 341097463 CHEMBL3798544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491799 COc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C17H16FN7O2S/c1-24-14(26)10-7-25(16-21-6-11(18)13(22-16)27-2)8-17(10,23-15(24)20)12-4-3-9(5-19)28-12/h3-4,6,10H,7-8H2,1-2H3,(H2,20,23)/t10-,17-/m0/s1 RZMVHYBWXVZDHC-BTDLBPIBSA-N 50164511 CHEMBL3800447 Beta-secretase 1 Homo sapiens 57 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127046889 341097464 CHEMBL3800447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491800 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 FNMJFZYRSQTKIH-HXPMCKFVSA-N 9488 US8541427, 1 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60X 5HE7 44467360 242078882 ZINC22363992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491801 COc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1 UKGROMSNWKWCLS-HJPURHCSSA-N 50164512 CHEMBL3800286 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60W 5HDU 71492530 341097465 CHEMBL3800286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491802 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccc1C#N)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H19N7OS/c1-30-22(32)19-12-31(21-17(11-26)6-3-7-28-21)14-24(19,29-23(30)27)20-9-18(13-33-20)16-5-2-4-15(8-16)10-25/h2-9,13,19H,12,14H2,1H3,(H2,27,29)/t19-,24-/m0/s1 LWVMTILRDSZVMA-CYFREDJKSA-N 50398689 CHEMBL2178713 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66557875 163347713 CHEMBL2178713 ZINC95575064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491803 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 PTLJUNIICOHEHE-JTSKRJEESA-N 50398693 CHEMBL2178718 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457203 163347717 CHEMBL2178718 ZINC95576320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491819 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)c(F)c1F InChI=1S/C19H17F5N6O2/c1-7-12(22)15(32-3)27-18(26-7)30-5-8-16(31)29(2)17(25)28-19(8,6-30)11-9(20)4-10(21)13(23)14(11)24/h4,8H,5-6H2,1-3H3,(H2,25,28)/t8-,19-/m0/s1 RQQNLWISWSTQLK-RLBGWGEZSA-N 102958 US8541427, 29 Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467711 172098249 ZINC96173868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491820 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)ccc(F)c1F InChI=1S/C19H18F4N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-9-16(30)28(2)17(24)27-19(9,7-29)12-10(20)4-5-11(21)14(12)23/h4-5,9H,6-7H2,1-3H3,(H2,24,27)/t9-,19-/m0/s1 VRRVVCOABSEJKG-UGZDLDLSSA-N 102969 US8541427, 40 Beta-secretase 1 Homo sapiens 234 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467853 172098260 ZINC96173879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491821 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-10-16(29)27(2)17(23)26-19(10,8-28)13-11(20)5-4-6-12(13)21/h4-6,10H,7-8H2,1-3H3,(H2,23,26)/t10-,19-/m0/s1 NAXGDHGFSCZYGN-OVWNDWIMSA-N 102940 US8541427, 11 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467506 172098231 ZINC96173852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491822 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F InChI=1S/C19H18F4N6O2/c1-8-14(23)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-12(21)13(22)5-11(9)20/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19+/m0/s1 ITPNKZFHSOFLSJ-APBUJDDRSA-N 102937 US8541427, 8 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467504 172098228 ZINC68153044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491823 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 LKDWXLBCDHUZRF-HXPMCKFVSA-N 102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467574 172098235 ZINC96173856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491824 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-13-16(28)26(2)17(22)25-19(13,9-27)11-4-6-12(20)7-5-11/h4-7,13H,8-9H2,1-3H3,(H2,22,25)/t13-,19+/m0/s1 VUVKLOMPJFHDFF-ORAYPTAESA-N 102946 US8541427, 17 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467576 172098237 ZINC68153036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491825 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-12-16(28)26(2)17(22)25-19(12,9-27)11-6-4-5-7-13(11)20/h4-7,12H,8-9H2,1-3H3,(H2,22,25)/t12-,19+/m0/s1 NBQUUPYPQVTUSJ-HXPMCKFVSA-N 102945 US8541427, 16 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467575 172098236 ZINC96173857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491826 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 InChI=1S/C19H21FN6O2/c1-11-14(20)15(28-3)23-18(22-11)26-9-13-16(27)25(2)17(21)24-19(13,10-26)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H2,21,24)/t13-,19+/m0/s1 CYEJSPJMRTVXJN-ORAYPTAESA-N 102941 US8541427, 12 Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467507 172098232 ZINC96173853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491827 CNc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C18H19FN8OS/c1-9-13(19)14(22-2)24-17(23-9)27-7-11-15(28)26(3)16(21)25-18(11,8-27)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,25)(H,22,23,24)/t11-,18-/m0/s1 ZGUINBOSNMEMBB-VOJFVSQTSA-N 50164504 CHEMBL3799879 Beta-secretase 1 Homo sapiens 157 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60S 5HE5 118796840 341097457 CHEMBL3799879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491828 CSc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C18H18FN7OS2/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1 RVOBSBJZKQOYEK-VOJFVSQTSA-N 50164505 CHEMBL3797680 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 954 5HDZ 118796839 341097458 CHEMBL3797680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491829 CCOc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C19H20FN7O2S/c1-4-29-15-14(20)10(2)23-18(24-15)27-8-12-16(28)26(3)17(22)25-19(12,9-27)13-6-5-11(7-21)30-13/h5-6,12H,4,8-9H2,1-3H3,(H2,22,25)/t12-,19-/m0/s1 NAIWJSDALLQSJO-BUXKBTBVSA-N 50164506 CHEMBL3799339 Beta-secretase 1 Homo sapiens 361 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60U 5HDX 44479524 341097459 CHEMBL3799339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491830 CCCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1 InChI=1S/C19H22ClFN6O2S/c1-4-5-11-14(21)15(29-3)24-18(23-11)27-8-10-16(28)26(2)17(22)25-19(10,9-27)12-6-7-13(20)30-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,22,25)/t10-,19-/m0/s1 KPZCPKGBTLMHPQ-OVWNDWIMSA-N 50164507 CHEMBL3798760 Beta-secretase 1 Homo sapiens 190 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44479264 341097460 CHEMBL3798760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491831 CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1 InChI=1S/C18H20ClFN6O2S/c1-4-10-13(20)14(28-3)23-17(22-10)26-7-9-15(27)25(2)16(21)24-18(9,8-26)11-5-6-12(19)29-11/h5-6,9H,4,7-8H2,1-3H3,(H2,21,24)/t9-,18-/m0/s1 ZTDGQYJGQFFPJD-YYSFKGJASA-N 50164508 CHEMBL3797321 Beta-secretase 1 Homo sapiens 203 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478997 341097461 CHEMBL3797321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491832 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1 InChI=1S/C17H18ClFN6O2S/c1-8-12(19)13(27-3)22-16(21-8)25-6-9-14(26)24(2)15(20)23-17(9,7-25)10-4-5-11(18)28-10/h4-5,9H,6-7H2,1-3H3,(H2,20,23)/t9-,17-/m0/s1 AQAKKPAIUKJXTE-XYZCENFISA-N 50164509 CHEMBL3798199 Beta-secretase 1 Homo sapiens 51 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44478726 341097462 CHEMBL3798199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491833 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C18H18FN7O2S/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1 ZPAVWCJTQRQRQL-VOJFVSQTSA-N 50164510 CHEMBL3798544 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60V 5HDV 44247586 341097463 CHEMBL3798544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491834 COc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N InChI=1S/C17H16FN7O2S/c1-24-14(26)10-7-25(16-21-6-11(18)13(22-16)27-2)8-17(10,23-15(24)20)12-4-3-9(5-19)28-12/h3-4,6,10H,7-8H2,1-2H3,(H2,20,23)/t10-,17-/m0/s1 RZMVHYBWXVZDHC-BTDLBPIBSA-N 50164511 CHEMBL3800447 Beta-secretase 1 Homo sapiens 238 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127046889 341097464 CHEMBL3800447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491835 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 FNMJFZYRSQTKIH-HXPMCKFVSA-N 9488 US8541427, 1 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=9488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60X 5HE7 44467360 242078882 ZINC22363992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491836 COc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1 UKGROMSNWKWCLS-HJPURHCSSA-N 50164512 CHEMBL3800286 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60W 5HDU 71492530 341097465 CHEMBL3800286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491837 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)c(F)c1F InChI=1S/C19H17F5N6O2/c1-7-12(22)15(32-3)27-18(26-7)30-5-8-16(31)29(2)17(25)28-19(8,6-30)11-9(20)4-10(21)13(23)14(11)24/h4,8H,5-6H2,1-3H3,(H2,25,28)/t8-,19-/m0/s1 RQQNLWISWSTQLK-RLBGWGEZSA-N 102958 US8541427, 29 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467711 172098249 ZINC96173868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491838 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)ccc(F)c1F InChI=1S/C19H18F4N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-9-16(30)28(2)17(24)27-19(9,7-29)12-10(20)4-5-11(21)14(12)23/h4-5,9H,6-7H2,1-3H3,(H2,24,27)/t9-,19-/m0/s1 VRRVVCOABSEJKG-UGZDLDLSSA-N 102969 US8541427, 40 Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467853 172098260 ZINC96173879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491839 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-10-16(29)27(2)17(23)26-19(10,8-28)13-11(20)5-4-6-12(13)21/h4-6,10H,7-8H2,1-3H3,(H2,23,26)/t10-,19-/m0/s1 NAXGDHGFSCZYGN-OVWNDWIMSA-N 102940 US8541427, 11 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467506 172098231 ZINC96173852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491842 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F InChI=1S/C19H18F4N6O2/c1-8-14(23)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-12(21)13(22)5-11(9)20/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19+/m0/s1 ITPNKZFHSOFLSJ-APBUJDDRSA-N 102937 US8541427, 8 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467504 172098228 ZINC68153044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491843 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1 LKDWXLBCDHUZRF-HXPMCKFVSA-N 102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467574 172098235 ZINC96173856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491844 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-13-16(28)26(2)17(22)25-19(13,9-27)11-4-6-12(20)7-5-11/h4-7,13H,8-9H2,1-3H3,(H2,22,25)/t13-,19+/m0/s1 VUVKLOMPJFHDFF-ORAYPTAESA-N 102946 US8541427, 17 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467576 172098237 ZINC68153036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50491845 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-12-16(28)26(2)17(22)25-19(12,9-27)11-6-4-5-7-13(11)20/h4-7,12H,8-9H2,1-3H3,(H2,22,25)/t12-,19+/m0/s1 NBQUUPYPQVTUSJ-HXPMCKFVSA-N 102945 US8541427, 16 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.5b01995 10.7270/Q2CR5W8V 26937601 Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=102945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44467575 172098236 ZINC96173857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50489743 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(=O)Nc1ccc(C)cc1C InChI=1S/C18H21N3O4S/c1-12-4-9-17(13(2)10-12)21-18(23)11-19-26(24,25)16-7-5-15(6-8-16)20-14(3)22/h4-10,19H,11H2,1-3H3,(H,20,22)(H,21,23) OZOPXXBSVNZGIT-UHFFFAOYSA-N 50161845 CHEMBL3794321 Beta-secretase 1 Homo sapiens 7900 ChEMBL 10.1016/j.bmc.2016.04.023 10.7270/Q2CV4KNQ 27102162 Jain, P; Wadhwa, PK; Gunapati, S; Jadhav, HR Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 112996426 341096918 CHEMBL3794321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50500514 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmc.2016.04.062 10.7270/Q2QZ2CWR 27211244 Al-Awadhi, FH; Ratnayake, R; Paul, VJ; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50500515 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1 WFMVRFNXMBGKEW-HVGQEOIXSA-N 50400221 CHEMBL2181015 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmc.2016.04.062 10.7270/Q2QZ2CWR 27211244 Al-Awadhi, FH; Ratnayake, R; Paul, VJ; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680446 163349245 CHEMBL2181015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50500516 CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC InChI=1S/C50H74N8O12/c1-9-30(3)43(47(66)52-29-42(63)56(6)38(27-34-20-15-12-16-21-34)48(67)58-25-17-22-37(58)50(69)70-8)54-41(62)28-39(60)35(26-33-18-13-11-14-19-33)53-46(65)36(23-24-40(51)61)57(7)49(68)44(31(4)10-2)55-45(64)32(5)59/h11-16,18-21,30-32,35-39,43-44,59-60H,9-10,17,22-29H2,1-8H3,(H2,51,61)(H,52,66)(H,53,65)(H,54,62)(H,55,64)/t30-,31-,32-,35-,36-,37-,38+,39-,43-,44-/m0/s1 CJLWKFUIIJXJBZ-PMQPHXACSA-N 50178261 CHEMBL3813928 Beta-secretase 1 Homo sapiens 690 ChEMBL 10.1016/j.bmc.2016.04.062 10.7270/Q2QZ2CWR 27211244 Al-Awadhi, FH; Ratnayake, R; Paul, VJ; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127050883 346549383 CHEMBL3813928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50501868 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) XGALLCVXEZPNRQ-UHFFFAOYSA-N 5447 CHEMBL939::GEFITINIB::Iressa::N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine::N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine::US10106508, Gefitinib::US10507209, Compound Gefitinib::US9416123, Gefitinib::US9730934, Gefitinib::US9783524, Gefitinib::WO2022090481, Example gefitinib::ZD1839::cid_123631 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1021/acs.jmedchem.6b00078 10.7270/Q2XD13MT 27046190 Ehrt, C; Brinkjost, T; Koch, O TU Dortmund University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2ITO,2ITY,2ITZ 123631 8035066 49668 CHEMBL939 DB00317 4941 ZINC19632614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878715 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H24ClN3O2/c1-29-20-4-6-23(7-5-20)12-17-3-2-16(18-8-15(13-26)9-19(25)10-18)11-21(17)24(23)14-30-22(27)28-24/h2-3,8-11,20H,4-7,12,14H2,1H3,(H2,27,28)/t20-,23-,24-/m0/s1 FQJNFWHRRHDNQF-OYDLWJJNSA-N 50264192 CHEMBL4072118 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132068809 404341754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755706 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@H]2CCCN2C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C34H41N5O6S/c1-22(24-13-8-5-9-14-24)36-32(41)25-18-26(20-28(19-25)38(2)46(3,44)45)33(42)37-29(17-23-11-6-4-7-12-23)31(40)30-34(43)39-16-10-15-27(39)21-35-30/h4-9,11-14,18-20,22,27,29-31,35,40H,10,15-17,21H2,1-3H3,(H,36,41)(H,37,42)/t22-,27-,29+,30+,31+/m1/s1 YJYYPDUGRGWQNA-RYNIEOSLSA-N 50240572 CHEMBL4078781 Beta-secretase 1 Homo sapiens 184 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 451883 85396887 CHEMBL4078781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878717 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 InChI=1S/C25H27N3O3/c1-29-20-5-7-24(8-6-20)13-18-4-3-17(12-22(18)25(24)15-31-23(27)28-25)19-9-16(14-26)10-21(11-19)30-2/h3-4,9-12,20H,5-8,13,15H2,1-2H3,(H2,27,28)/t20-,24-,25-/m0/s1 HGMWSDRCFLAMIZ-OPXMRZJTSA-N 50264193 CHEMBL4084381 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646113 404341755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878719 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cccnc1 InChI=1S/C22H25N3O2/c1-26-18-6-8-21(9-7-18)12-16-5-4-15(17-3-2-10-24-13-17)11-19(16)22(21)14-27-20(23)25-22/h2-5,10-11,13,18H,6-9,12,14H2,1H3,(H2,23,25)/t18-,21-,22-/m0/s1/i14D2 GEYWBDIFOOXJFR-JPJSVPEHSA-N 50264180 CHEMBL4074071 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137641085 404341747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878724 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C17H17FN4O2/c1-2-3-15-8-16(21-24-15)17(23)20-14-9-19-22(11-14)10-12-4-6-13(18)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,20,23) MJBZMUZAEXQVAB-UHFFFAOYSA-N 41542 US8865911, 122 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 249815366 ZINC03909028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878727 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncc(C)c1 InChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19-,22-,23-/m0/s1/i14D2 XMEKMASQQBIQCX-MMGYNXNYSA-N 50264194 CHEMBL4093123 Beta-secretase 1 Homo sapiens 1179 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653017 404341756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878739 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11C[C@H](C)[C@@H](OC)[C@H](C)C1)-c1cncnc1 InChI=1S/C23H28N4O2/c1-14-7-22(8-15(2)20(14)28-3)9-17-5-4-16(18-10-25-13-26-11-18)6-19(17)23(22)12-29-21(24)27-23/h4-6,10-11,13-15,20H,7-9,12H2,1-3H3,(H2,24,27)/t14-,15+,20+,22+,23-/m0/s1/i12D2 WEUYFLJIIPRWIS-AQYDYDSLSA-N 50264183 CHEMBL4085364 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646591 404341749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878803 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](C)C1)-c1cncnc1 InChI=1S/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22+/m1/s1/i12D2 LNZBKHMXPFCMOB-OCTYJMGUSA-N 50264195 CHEMBL4103296 Beta-secretase 1 Homo sapiens 118 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054828 404341757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878804 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](CC)C1)-c1cncnc1 InChI=1S/C23H28N4O2/c1-3-15-9-22(7-6-20(15)28-2)10-17-5-4-16(18-11-25-14-26-12-18)8-19(17)23(22)13-29-21(24)27-23/h4-5,8,11-12,14-15,20H,3,6-7,9-10,13H2,1-2H3,(H2,24,27)/t15-,20-,22-,23+/m1/s1/i13D2 XWPKJWXXVQEOTC-STERQVHBSA-N 50264184 CHEMBL4097477 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054950 404341750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50878815 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](CC)C1)-c1cncnc1 InChI=1S/C23H28N4O2/c1-3-15-9-22(7-6-20(15)28-2)10-17-5-4-16(18-11-25-14-26-12-18)8-19(17)23(22)13-29-21(24)27-23/h4-5,8,11-12,14-15,20H,3,6-7,9-10,13H2,1-2H3,(H2,24,27)/t15-,20-,22-,23-/m0/s1/i13D2 XWPKJWXXVQEOTC-CXPDZNFNSA-N 50264186 CHEMBL4067413 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054712 404341752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705272 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24) BUKQLTRSESWIRN-UHFFFAOYSA-N 50358928 CHEMBL1923752 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925548 136962952 CHEMBL1923752 ZINC73141875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705273 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24) ZYBLHCIRPQDYGD-UHFFFAOYSA-N 50358929 CHEMBL1923753 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925549 136962953 CHEMBL1923753 ZINC73196190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705274 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1 InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25) HWDKGVNMSGILAJ-UHFFFAOYSA-N 50358930 CHEMBL1923754 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834873 136962954 CHEMBL1923754 ZINC73170228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705291 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C24H24N4O3S/c1-16(17-9-5-4-6-10-17)25-24(29)19-13-18(14-20(15-19)28(2)32(3,30)31)23-26-21-11-7-8-12-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)/t16-/m0/s1 GCCLLOMNKKXXOF-INIZCTEOSA-N 50358931 CHEMBL1923700 Beta-secretase 1 Homo sapiens 1041 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401086 136962955 CHEMBL1923700 ZINC73160957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705292 COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1 YYFIEQLEVGNNBQ-INIZCTEOSA-N 50358932 CHEMBL1923701 Beta-secretase 1 Homo sapiens 525 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399319 136962956 CHEMBL1923701 ZINC73160960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705293 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1 ZQYBOOXPGDXABH-HNNXBMFYSA-N 50358933 CHEMBL1923702 Beta-secretase 1 Homo sapiens 758 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399320 136962957 CHEMBL1923702 ZINC73162244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705294 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1 PSZITIHCSQMWAU-SFHVURJKSA-N 50358934 CHEMBL1923703 Beta-secretase 1 Homo sapiens 304 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395865 136962958 CHEMBL1923703 ZINC73162249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705295 COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1 UCWXKESNYRGXEW-SFHVURJKSA-N 50358935 CHEMBL1923704 Beta-secretase 1 Homo sapiens 62 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390575 136962959 CHEMBL1923704 ZINC73158301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705296 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1 CIWFAULALHGEOR-KRWDZBQOSA-N 50358936 CHEMBL1923705 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395866 136962960 CHEMBL1923705 ZINC73159770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705297 CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1 InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-10-6-7-15-29(20)23)16-11-13-17(14-12-16)22-25-18-8-4-5-9-19(18)26-22/h4-15,28H,1-3H3,(H,25,26) BXZQUQFHFRDGNM-UHFFFAOYSA-N 50358937 CHEMBL1923706 Beta-secretase 1 Homo sapiens 5312 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925448 136962961 CHEMBL1923706 ZINC73169469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705298 CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1 InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27) XFNVPLOSLDZYGA-UHFFFAOYSA-N 50358938 CHEMBL1923707 Beta-secretase 1 Homo sapiens 2389 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925449 136962962 CHEMBL1923707 ZINC73169471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705299 COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) DEFXWAXUKYOGRK-UHFFFAOYSA-N 50358939 CHEMBL1923708 Beta-secretase 1 Homo sapiens 2160 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925450 136962963 CHEMBL1923708 ZINC73170153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705300 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-13-6-7-14-29(20)23)16-9-8-10-17(15-16)22-25-18-11-4-5-12-19(18)26-22/h4-15,28H,1-3H3,(H,25,26) RRIDTPCDKPIDBX-UHFFFAOYSA-N 50358940 CHEMBL1923709 Beta-secretase 1 Homo sapiens 495 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925452 136962964 CHEMBL1923709 ZINC73170154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705301 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1 InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27) IHFCIYLSNBQPNH-UHFFFAOYSA-N 50358941 CHEMBL1923749 Beta-secretase 1 Homo sapiens 301 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925453 136962965 CHEMBL1923749 ZINC73157600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705302 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) ISCVINRUZPXLTR-UHFFFAOYSA-N 50358942 CHEMBL1923750 Beta-secretase 1 Homo sapiens 253 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925544 136962966 CHEMBL1923750 ZINC73159311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705303 c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23) GXKGMHZDCDTBEX-UHFFFAOYSA-N 50358927 CHEMBL1923751 Beta-secretase 1 Homo sapiens 926 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925547 136962951 CHEMBL1923751 ZINC73157605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705304 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24) BUKQLTRSESWIRN-UHFFFAOYSA-N 50358928 CHEMBL1923752 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925548 136962952 CHEMBL1923752 ZINC73141875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705305 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24) ZYBLHCIRPQDYGD-UHFFFAOYSA-N 50358929 CHEMBL1923753 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925549 136962953 CHEMBL1923753 ZINC73196190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705306 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1 InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25) HWDKGVNMSGILAJ-UHFFFAOYSA-N 50358930 CHEMBL1923754 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834873 136962954 CHEMBL1923754 ZINC73170228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705323 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1 ZQYBOOXPGDXABH-HNNXBMFYSA-N 50358933 CHEMBL1923702 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399320 136962957 CHEMBL1923702 ZINC73162244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705324 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1 PSZITIHCSQMWAU-SFHVURJKSA-N 50358934 CHEMBL1923703 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395865 136962958 CHEMBL1923703 ZINC73162249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705325 COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1 UCWXKESNYRGXEW-SFHVURJKSA-N 50358935 CHEMBL1923704 Beta-secretase 1 Homo sapiens 179 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390575 136962959 CHEMBL1923704 ZINC73158301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705326 COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) DEFXWAXUKYOGRK-UHFFFAOYSA-N 50358939 CHEMBL1923708 Beta-secretase 1 Homo sapiens 2405 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925450 136962963 CHEMBL1923708 ZINC73170153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705327 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1 InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27) IHFCIYLSNBQPNH-UHFFFAOYSA-N 50358941 CHEMBL1923749 Beta-secretase 1 Homo sapiens 930 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925453 136962965 CHEMBL1923749 ZINC73157600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705328 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) ISCVINRUZPXLTR-UHFFFAOYSA-N 50358942 CHEMBL1923750 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925544 136962966 CHEMBL1923750 ZINC73159311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705329 c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23) GXKGMHZDCDTBEX-UHFFFAOYSA-N 50358927 CHEMBL1923751 Beta-secretase 1 Homo sapiens 1550 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925547 136962951 CHEMBL1923751 ZINC73157605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705330 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24) BUKQLTRSESWIRN-UHFFFAOYSA-N 50358928 CHEMBL1923752 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925548 136962952 CHEMBL1923752 ZINC73141875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705331 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24) ZYBLHCIRPQDYGD-UHFFFAOYSA-N 50358929 CHEMBL1923753 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925549 136962953 CHEMBL1923753 ZINC73196190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705332 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1 ZQYBOOXPGDXABH-HNNXBMFYSA-N 50358933 CHEMBL1923702 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399320 136962957 CHEMBL1923702 ZINC73162244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705333 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1 PSZITIHCSQMWAU-SFHVURJKSA-N 50358934 CHEMBL1923703 Beta-secretase 1 Homo sapiens 450 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395865 136962958 CHEMBL1923703 ZINC73162249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705334 COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1 UCWXKESNYRGXEW-SFHVURJKSA-N 50358935 CHEMBL1923704 Beta-secretase 1 Homo sapiens 179 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390575 136962959 CHEMBL1923704 ZINC73158301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705335 COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) DEFXWAXUKYOGRK-UHFFFAOYSA-N 50358939 CHEMBL1923708 Beta-secretase 1 Homo sapiens 2405 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925450 136962963 CHEMBL1923708 ZINC73170153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705336 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1 InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27) IHFCIYLSNBQPNH-UHFFFAOYSA-N 50358941 CHEMBL1923749 Beta-secretase 1 Homo sapiens 930 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925453 136962965 CHEMBL1923749 ZINC73157600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705337 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) ISCVINRUZPXLTR-UHFFFAOYSA-N 50358942 CHEMBL1923750 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925544 136962966 CHEMBL1923750 ZINC73159311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705338 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1 InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25) HWDKGVNMSGILAJ-UHFFFAOYSA-N 50358930 CHEMBL1923754 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834873 136962954 CHEMBL1923754 ZINC73170228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705255 c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23) GXKGMHZDCDTBEX-UHFFFAOYSA-N 50358927 CHEMBL1923751 Beta-secretase 1 Homo sapiens 1550 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925547 136962951 CHEMBL1923751 ZINC73157605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705256 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24) BUKQLTRSESWIRN-UHFFFAOYSA-N 50358928 CHEMBL1923752 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925548 136962952 CHEMBL1923752 ZINC73141875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705257 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1 InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24) ZYBLHCIRPQDYGD-UHFFFAOYSA-N 50358929 CHEMBL1923753 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925549 136962953 CHEMBL1923753 ZINC73196190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705258 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1 InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25) HWDKGVNMSGILAJ-UHFFFAOYSA-N 50358930 CHEMBL1923754 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56834873 136962954 CHEMBL1923754 ZINC73170228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705259 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C24H24N4O3S/c1-16(17-9-5-4-6-10-17)25-24(29)19-13-18(14-20(15-19)28(2)32(3,30)31)23-26-21-11-7-8-12-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)/t16-/m0/s1 GCCLLOMNKKXXOF-INIZCTEOSA-N 50358931 CHEMBL1923700 Beta-secretase 1 Homo sapiens 1080 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57401086 136962955 CHEMBL1923700 ZINC73160957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705260 COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1 YYFIEQLEVGNNBQ-INIZCTEOSA-N 50358932 CHEMBL1923701 Beta-secretase 1 Homo sapiens 545 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399319 136962956 CHEMBL1923701 ZINC73160960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705261 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1 ZQYBOOXPGDXABH-HNNXBMFYSA-N 50358933 CHEMBL1923702 Beta-secretase 1 Homo sapiens 786 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57399320 136962957 CHEMBL1923702 ZINC73162244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705262 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1 PSZITIHCSQMWAU-SFHVURJKSA-N 50358934 CHEMBL1923703 Beta-secretase 1 Homo sapiens 315 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395865 136962958 CHEMBL1923703 ZINC73162249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705263 COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1 UCWXKESNYRGXEW-SFHVURJKSA-N 50358935 CHEMBL1923704 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57390575 136962959 CHEMBL1923704 ZINC73158301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705264 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1 CIWFAULALHGEOR-KRWDZBQOSA-N 50358936 CHEMBL1923705 Beta-secretase 1 Homo sapiens 187 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57395866 136962960 CHEMBL1923705 ZINC73159770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705265 CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1 InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-10-6-7-15-29(20)23)16-11-13-17(14-12-16)22-25-18-8-4-5-9-19(18)26-22/h4-15,28H,1-3H3,(H,25,26) BXZQUQFHFRDGNM-UHFFFAOYSA-N 50358937 CHEMBL1923706 Beta-secretase 1 Homo sapiens 5511 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925448 136962961 CHEMBL1923706 ZINC73169469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705266 CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1 InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27) XFNVPLOSLDZYGA-UHFFFAOYSA-N 50358938 CHEMBL1923707 Beta-secretase 1 Homo sapiens 2479 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925449 136962962 CHEMBL1923707 ZINC73169471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705267 COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) DEFXWAXUKYOGRK-UHFFFAOYSA-N 50358939 CHEMBL1923708 Beta-secretase 1 Homo sapiens 2241 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925450 136962963 CHEMBL1923708 ZINC73170153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705268 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-13-6-7-14-29(20)23)16-9-8-10-17(15-16)22-25-18-11-4-5-12-19(18)26-22/h4-15,28H,1-3H3,(H,25,26) RRIDTPCDKPIDBX-UHFFFAOYSA-N 50358940 CHEMBL1923709 Beta-secretase 1 Homo sapiens 514 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925452 136962964 CHEMBL1923709 ZINC73170154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705269 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1 InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27) IHFCIYLSNBQPNH-UHFFFAOYSA-N 50358941 CHEMBL1923749 Beta-secretase 1 Homo sapiens 312 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925453 136962965 CHEMBL1923749 ZINC73157600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705270 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27) ISCVINRUZPXLTR-UHFFFAOYSA-N 50358942 CHEMBL1923750 Beta-secretase 1 Homo sapiens 178 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925544 136962966 CHEMBL1923750 ZINC73159311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50705271 c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23) GXKGMHZDCDTBEX-UHFFFAOYSA-N 50358927 CHEMBL1923751 Beta-secretase 1 Homo sapiens 961 ChEMBL 10.1021/jm201181f 10.7270/Q279453T 22044119 Al-Tel, TH; Semreen, MH; Al-Qawasmeh, RA; Schmidt, MF; El-Awadi, R; Ardah, M; Zaarour, R; Rao, SN; El-Agnaf, O University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56925547 136962951 CHEMBL1923751 ZINC73157605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879609 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H24ClN3O2/c1-29-20-4-6-23(7-5-20)12-17-3-2-16(18-8-15(13-26)9-19(25)10-18)11-21(17)24(23)14-30-22(27)28-24/h2-3,8-11,20H,4-7,12,14H2,1H3,(H2,27,28)/t20-,23-,24-/m1/s1 FQJNFWHRRHDNQF-AGILITTLSA-N 50264190 CHEMBL4092875 Beta-secretase 1 Homo sapiens 212 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653962 404341753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879651 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H24ClN3O2/c1-29-20-4-6-23(7-5-20)12-17-3-2-16(18-8-15(13-26)9-19(25)10-18)11-21(17)24(23)14-30-22(27)28-24/h2-3,8-11,20H,4-7,12,14H2,1H3,(H2,27,28)/t20-,23-,24-/m0/s1 FQJNFWHRRHDNQF-OYDLWJJNSA-N 50264192 CHEMBL4072118 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132068809 404341754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879654 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H24ClN3O2/c1-29-20-4-6-23(7-5-20)12-17-3-2-16(18-8-15(13-26)9-19(25)10-18)11-21(17)24(23)14-30-22(27)28-24/h2-3,8-11,20H,4-7,12,14H2,1H3,(H2,27,28)/t20-,23-,24-/m0/s1 FQJNFWHRRHDNQF-OYDLWJJNSA-N 50264192 CHEMBL4072118 Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132068809 404341754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879667 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 InChI=1S/C25H27N3O3/c1-29-20-5-7-24(8-6-20)13-18-4-3-17(12-22(18)25(24)15-31-23(27)28-25)19-9-16(14-26)10-21(11-19)30-2/h3-4,9-12,20H,5-8,13,15H2,1-2H3,(H2,27,28)/t20-,24-,25-/m0/s1 HGMWSDRCFLAMIZ-OPXMRZJTSA-N 50264193 CHEMBL4084381 Beta-secretase 1 Homo sapiens 2.7 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646113 404341755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879668 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncc(C)c1 InChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19-,22-,23-/m0/s1/i14D2 XMEKMASQQBIQCX-MMGYNXNYSA-N 50264194 CHEMBL4093123 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653017 404341756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879669 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](C)C1)-c1cncnc1 InChI=1S/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22+/m1/s1/i12D2 LNZBKHMXPFCMOB-OCTYJMGUSA-N 50264195 CHEMBL4103296 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054828 404341757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879670 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cc(OC)cc(c1)C#N InChI=1S/C25H27N3O3/c1-29-20-5-7-24(8-6-20)13-18-4-3-17(12-22(18)25(24)15-31-23(27)28-25)19-9-16(14-26)10-21(11-19)30-2/h3-4,9-12,20H,5-8,13,15H2,1-2H3,(H2,27,28)/t20-,24-,25-/m0/s1/i15D2 HGMWSDRCFLAMIZ-INDJQTKRSA-N 50264154 CHEMBL4100832 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137660988 104112252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879671 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncnc1 InChI=1S/C21H24N4O2/c1-26-17-4-6-20(7-5-17)9-15-3-2-14(16-10-23-13-24-11-16)8-18(15)21(20)12-27-19(22)25-21/h2-3,8,10-11,13,17H,4-7,9,12H2,1H3,(H2,22,25)/t17-,20-,21-/m0/s1/i12D2 HCULHXVLYCNDEI-QKRXBBJISA-N 50264181 CHEMBL4065448 Beta-secretase 1 Homo sapiens 134 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132054902 404341748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879675 [2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](C)C1)-c1cncnc1 InChI=1S/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22-/m0/s1/i12D2 LNZBKHMXPFCMOB-NIVWZPTPSA-N 50264185 CHEMBL4070299 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638912 404341751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50879676 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1 MRXBCEQZNKUUIP-DEOSSOPVSA-N 50398264 CHEMBL2177913 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/acs.jmedchem.7b01716 10.7270/Q2TX3HVX 29617572 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32D 4B05 46202416 163347288 CHEMBL2177913 ZINC68205977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469336 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens 949 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469338 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C18H17F4N5O3S/c1-17(9-31(29,30)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(28)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,28)/t17-/m0/s1 XBJQDMHXDUQMJV-KRWDZBQOSA-N 143219 US8940748, 26::US9029362, 26::US9687494, 26 Beta-secretase 1 Homo sapiens 1261 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469340 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 1753 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469342 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1 QEDBRPQZTWTMTK-KRWDZBQOSA-N 143221 US8940748, 36::US9029362, 36::US9687494, 36 Beta-secretase 1 Homo sapiens 10000 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51352402 251971816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469344 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H18F2N6O4S/c1-17(8-30(27,28)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(26)12-6-22-13(29-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,26)/t17-/m0/s1 QGPBROSNFKNVFL-KRWDZBQOSA-N 143222 US8940748, 40di::US9029362, 40di::US9687494, 40di Beta-secretase 1 Homo sapiens 1050 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111419 251971817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469346 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F InChI=1S/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/m0/s1 LWWIOJQKELULTO-SFHVURJKSA-N 143223 US8940748, 35::US9029362, 35::US9687494, 35 Beta-secretase 1 Homo sapiens 3000 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111335 251971818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469348 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F InChI=1S/C17H16F3N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)13-10(19)4-6-11(14(13)20)23-15(26)12-5-3-9(18)7-22-12/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1 VXLAYHUGSSZHSG-KRWDZBQOSA-N 143224 US8940748, 173::US9687494, 173 Beta-secretase 1 Homo sapiens 4880 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111673 251971819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469350 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C16H16N4O2S2/c1-16(10-24(21,22)20(2)15(18)19-16)14-7-13(9-23-14)12-5-3-4-11(6-12)8-17/h3-7,9H,10H2,1-2H3,(H2,18,19)/t16-/m0/s1 WRIHQAVUMDUZBP-INIZCTEOSA-N 143225 US8940748, 45::US9029362, 45::US9687494, 45 Beta-secretase 1 Homo sapiens 25600 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111517 251971820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469351 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1ccc(F)c(c1)C#N InChI=1S/C16H15FN4O2S2/c1-16(9-25(22,23)21(2)15(19)20-16)14-6-12(8-24-14)10-3-4-13(17)11(5-10)7-18/h3-6,8H,9H2,1-2H3,(H2,19,20)/t16-/m0/s1 BRXXBTMKBTXEJJ-INIZCTEOSA-N 143226 US8940748, 46::US9029362, 46::US9687494, 46 Beta-secretase 1 Homo sapiens 46000 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111513 251971821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469353 CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1 VKVMIZCLMUKTTA-KRWDZBQOSA-N 143227 US8940748, 52::US9029362, 52::US9687494, 52 Beta-secretase 1 Homo sapiens 2387 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66J 5HTZ 68111516 251971822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 469355 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H19FN6O4S/c1-17(9-29(26,27)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(25)13-7-21-14(28-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1 DJIXTIKKTNRBEW-KRWDZBQOSA-N 143228 US8940748, 40ai::US9029362, 40ai::US9687494, 40ai Beta-secretase 1 Homo sapiens 1640 5 US Patent 10.7270/Q2CJ8BN7 aid1794955 US9687494 PubChem, PC; Scott, JD; Stamford, AW; Gilbert, EJ; Cumming, JN; Iserloh, U Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111681 251971823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525132 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1 InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)13-7-15(23-9-14(13)20)25-17-16-11(4-5-22-17)6-12(30-3)8-24-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,23,25)/t19-/m0/s1 OVWPNZBTKNPUGS-IBGZPJMESA-N 276790 N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]pyridin-2-yl}-3-methoxy-1,7-naphthyridin-8-amine::US10071998, Example 5 Beta-secretase 1 Homo sapiens 16.2 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435138 378158447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022624 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O InChI=1S/C30H54N8O10/c1-13(2)10-18(20(39)12-22(41)37-24(14(3)4)29(47)34-16(7)26(33)44)35-28(46)19(11-21(32)40)36-30(48)25(15(5)6)38-27(45)17(31)8-9-23(42)43/h13-20,24-25,39H,8-12,31H2,1-7H3,(H2,32,40)(H2,33,44)(H,34,47)(H,35,46)(H,36,48)(H,37,41)(H,38,45)(H,42,43)/t16-,17-,18-,19-,20-,24-,25-/m0/s1 WSCBLCPKXDRQMS-JBOWYNOGSA-N 50136329 (S)-4-Amino-4-{(S)-1-[(S)-2-carbamoyl-1-((S)-1-{(S)-2-[(S)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid::CHEMBL137756 Beta-secretase 1 Homo sapiens 530 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357171 104026623 CHEMBL137756 ZINC27434158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022625 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H68N8O14/c1-21(2)18-29(48-38(59)25(8)46-42(63)36(23(5)6)51-39(60)27(44)14-16-33(54)55)31(52)20-32(53)50-35(22(3)4)41(62)45-24(7)37(58)47-28(15-17-34(56)57)40(61)49-30(43(64)65)19-26-12-10-9-11-13-26/h9-13,21-25,27-31,35-36,52H,14-20,44H2,1-8H3,(H,45,62)(H,46,63)(H,47,58)(H,48,59)(H,49,61)(H,50,53)(H,51,60)(H,54,55)(H,56,57)(H,64,65)/t24-,25-,27-,28-,29-,30-,31-,35-,36-/m0/s1 ZOKFLNKOOLPJJD-PMEJUPLUSA-N 50136339 (S)-4-{(S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-propionylamino}-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-butyrylamino]-propionylamino}-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL335277 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357454 104026633 CHEMBL335277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022626 CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C34H53N7O11/c1-17(2)13-23(39-31(48)21(35)15-26(36)43)25(42)16-27(44)41-29(18(3)4)33(50)37-19(5)30(47)38-22(11-12-28(45)46)32(49)40-24(34(51)52)14-20-9-7-6-8-10-20/h6-10,17-19,21-25,29,42H,11-16,35H2,1-5H3,(H2,36,43)(H,37,50)(H,38,47)(H,39,48)(H,40,49)(H,41,44)(H,45,46)(H,51,52)/t19-,21-,22-,23-,24-,25-,29-/m0/s1 COVANGFPLNQTMC-KWHDBERRSA-N 50136335 (S)-4-((S)-2-{(S)-2-[(3S,4S)-4-((S)-2-Amino-3-carbamoyl-propionylamino)-3-hydroxy-6-methyl-heptanoylamino]-3-methyl-butyrylamino}-propionylamino)-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL137131 Beta-secretase 1 Homo sapiens >91000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11125485 104026629 CHEMBL137131 ZINC26578193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022627 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C32H51N5O8/c1-9-19(6)28(35-21(8)38)31(43)34-20(7)29(41)36-24(13-17(2)3)25(39)15-26(40)37-27(18(4)5)30(42)33-16-22-11-10-12-23(14-22)32(44)45/h10-12,14,17-20,24-25,27-28,39H,9,13,15-16H2,1-8H3,(H,33,42)(H,34,43)(H,35,38)(H,36,41)(H,37,40)(H,44,45)/t19-,20-,24-,25-,27-,28-/m0/s1 ACDPDEUYTFMJKV-LYCWUKGISA-N 50366844 CHEMBL1791020 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56657792 160845946 CHEMBL1791020 ZINC27431556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022628 CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C46H74N8O14S/c1-9-26(6)39(45(66)48-27(7)40(61)49-30(16-18-37(59)60)42(63)52-33(46(67)68)22-28-13-11-10-12-14-28)53-35(56)23-34(55)32(21-24(2)3)51-43(64)31(19-20-69-8)50-44(65)38(25(4)5)54-41(62)29(47)15-17-36(57)58/h10-14,24-27,29-34,38-39,55H,9,15-23,47H2,1-8H3,(H,48,66)(H,49,61)(H,50,65)(H,51,64)(H,52,63)(H,53,56)(H,54,62)(H,57,58)(H,59,60)(H,67,68)/t26-,27-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1 STTQILIQWKCCOS-MHIFUCQXSA-N 50366848 CHEMBL1791021 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56681735 160845950 CHEMBL1791021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022629 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H62N8O12/c1-19(2)15-25(44-36(55)26(17-29(40)49)45-37(56)32(41)20(3)4)28(48)18-30(50)47-33(21(5)6)38(57)42-22(7)34(53)43-24(13-14-31(51)52)35(54)46-27(39(58)59)16-23-11-9-8-10-12-23/h8-12,19-22,24-28,32-33,48H,13-18,41H2,1-7H3,(H2,40,49)(H,42,57)(H,43,53)(H,44,55)(H,45,56)(H,46,54)(H,47,50)(H,51,52)(H,58,59)/t22-,24-,25-,26-,27-,28-,32-,33-/m0/s1 JEJHICBBMUGNFZ-ZSAXQIRZSA-N 50136351 (S)-4-[(S)-2-((S)-2-{(3S,4S)-4-[(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-carbamoyl-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL137614 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11083399 104026645 CHEMBL137614 ZINC95541974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022630 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(N)=O InChI=1S/C22H40N6O8/c1-10(2)7-13(15(29)9-17(25)31)26-21(35)14(8-16(24)30)27-22(36)19(11(3)4)28-20(34)12(23)5-6-18(32)33/h10-15,19,29H,5-9,23H2,1-4H3,(H2,24,30)(H2,25,31)(H,26,35)(H,27,36)(H,28,34)(H,32,33)/t12-,13-,14-,15-,19-/m0/s1 DUFJWWCMFVIAHG-OXMIBSBGSA-N 50136332 (S)-4-Amino-4-((S)-1-{(S)-2-carbamoyl-1-[(S)-1-((S)-2-carbamoyl-1-hydroxy-ethyl)-3-methyl-butylcarbamoyl]-ethylcarbamoyl}-2-methyl-propylcarbamoyl)-butyric acid::CHEMBL341944 Beta-secretase 1 Homo sapiens >91000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357172 104026626 CHEMBL341944 ZINC27432476 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022631 CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C34H55N5O8S/c1-19(2)14-26(38-31(43)25(12-13-48-8)37-32(44)27(15-20(3)4)36-22(7)40)28(41)17-29(42)39-30(21(5)6)33(45)35-18-23-10-9-11-24(16-23)34(46)47/h9-11,16,19-21,25-28,30,41H,12-15,17-18H2,1-8H3,(H,35,45)(H,36,40)(H,37,44)(H,38,43)(H,39,42)(H,46,47)/t25-,26+,27+,28+,30+/m1/s1 YGVJTFZHCAMHAC-QUBFWBSFSA-N 50136349 3-[((S)-2-{(3S,4S)-4-[(R)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL185920 Beta-secretase 1 Homo sapiens >91000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357333 104026643 CHEMBL185920 ZINC27432729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022632 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C34H55N5O8S/c1-19(2)14-26(38-31(43)25(12-13-48-8)37-32(44)27(15-20(3)4)36-22(7)40)28(41)17-29(42)39-30(21(5)6)33(45)35-18-23-10-9-11-24(16-23)34(46)47/h9-11,16,19-21,25-28,30,41H,12-15,17-18H2,1-8H3,(H,35,45)(H,36,40)(H,37,44)(H,38,43)(H,39,42)(H,46,47)/t25-,26-,27-,28-,30-/m0/s1 YGVJTFZHCAMHAC-KGEMVMTLSA-N 50136334 3-[((S)-2-{(3S,4S)-4-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL138002 Beta-secretase 1 Homo sapiens 890 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357334 104026628 CHEMBL138002 ZINC27432734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022633 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C44H69N9O15/c1-21(2)17-28(49-41(64)29(19-32(46)55)50-43(66)37(23(5)6)53-39(62)26(45)13-15-34(57)58)31(54)20-33(56)52-36(22(3)4)42(65)47-24(7)38(61)48-27(14-16-35(59)60)40(63)51-30(44(67)68)18-25-11-9-8-10-12-25/h8-12,21-24,26-31,36-37,54H,13-20,45H2,1-7H3,(H2,46,55)(H,47,65)(H,48,61)(H,49,64)(H,50,66)(H,51,63)(H,52,56)(H,53,62)(H,57,58)(H,59,60)(H,67,68)/t24-,26-,27-,28-,29-,30-,31-,36-,37-/m0/s1 JKPIGOLCXAOIJV-TVZWHCCBSA-N 50136343 CHEMBL137755::Glu-Val-Asn-statine-Val-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11768241 104026637 CHEMBL137755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022634 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C32H51N5O8/c1-8-9-13-24(35-21(7)38)30(42)34-20(6)29(41)36-25(14-18(2)3)26(39)16-27(40)37-28(19(4)5)31(43)33-17-22-11-10-12-23(15-22)32(44)45/h10-12,15,18-20,24-26,28,39H,8-9,13-14,16-17H2,1-7H3,(H,33,43)(H,34,42)(H,35,38)(H,36,41)(H,37,40)(H,44,45)/t20-,24-,25-,26-,28-/m0/s1 RFWMRXOXENXTLM-QPGFMSSHSA-N 50136348 3-[((S)-2-{(3S,4S)-4-[(S)-2-((S)-2-Acetylamino-hexanoylamino)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL137319 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357199 104026642 CHEMBL137319 ZINC27435114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022635 CC[C@H](C)[C@H](NC(=O)C1CCCCO1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C36H57N5O9/c1-8-22(6)31(41-33(45)28-14-9-10-15-50-28)35(47)38-23(7)32(44)39-26(16-20(2)3)27(42)18-29(43)40-30(21(4)5)34(46)37-19-24-12-11-13-25(17-24)36(48)49/h11-13,17,20-23,26-28,30-31,42H,8-10,14-16,18-19H2,1-7H3,(H,37,46)(H,38,47)(H,39,44)(H,40,43)(H,41,45)(H,48,49)/t22-,23-,26-,27-,28?,30-,31-/m0/s1 IRZBKMHNGOEVFB-PRNPKKLGSA-N 50366850 CHEMBL1791017 Beta-secretase 1 Homo sapiens 69 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56657791 160845952 CHEMBL1791017 ZINC27432757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022636 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C34H55N5O8S/c1-19(2)14-26(38-31(43)25(12-13-48-8)37-32(44)27(15-20(3)4)36-22(7)40)28(41)17-29(42)39-30(21(5)6)33(45)35-18-23-10-9-11-24(16-23)34(46)47/h9-11,16,19-21,25-28,30,41H,12-15,17-18H2,1-8H3,(H,35,45)(H,36,40)(H,37,44)(H,38,43)(H,39,42)(H,46,47)/t25-,26-,27-,28-,30+/m0/s1 YGVJTFZHCAMHAC-LOLMJFKOSA-N 50136354 3-[((R)-2-{(3S,4S)-4-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL343563 Beta-secretase 1 Homo sapiens >91000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357237 104026648 CHEMBL343563 ZINC27436835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022637 CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C35H57N5O8S/c1-8-10-14-26(32(44)36-20-24-12-11-13-25(18-24)35(47)48)38-30(43)19-29(42)28(17-21(3)4)40-33(45)27(15-16-49-7)39-34(46)31(22(5)9-2)37-23(6)41/h11-13,18,21-22,26-29,31,42H,8-10,14-17,19-20H2,1-7H3,(H,36,44)(H,37,41)(H,38,43)(H,39,46)(H,40,45)(H,47,48)/t22-,26-,27-,28-,29-,31-/m0/s1 YZBDIFXFTYWUEW-XMMDVVFZSA-N 50366842 CHEMBL1791018 Beta-secretase 1 Homo sapiens 86 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918719 160845944 CHEMBL1791018 ZINC27438473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022638 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C38H55N5O8S/c1-7-24(4)34(40-25(5)44)37(49)42-29(16-17-52-6)36(48)43-30(18-23(2)3)32(45)21-33(46)41-31(20-26-12-9-8-10-13-26)35(47)39-22-27-14-11-15-28(19-27)38(50)51/h8-15,19,23-24,29-32,34,45H,7,16-18,20-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)(H,42,49)(H,43,48)(H,50,51)/t24-,29-,30-,31-,32-,34-/m0/s1 VNMVAZJIAINVLF-HYORAKBMSA-N 50366849 CHEMBL1791011 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56675093 160845951 CHEMBL1791011 ZINC27434449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022639 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C36H51N5O9/c1-7-21(4)32(39-23(6)42)35(48)38-22(5)33(46)41-28(15-20(2)3)30(44)18-31(45)40-29(17-24-11-13-27(43)14-12-24)34(47)37-19-25-9-8-10-26(16-25)36(49)50/h8-14,16,20-22,28-30,32,43-44H,7,15,17-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,42)(H,40,45)(H,41,46)(H,49,50)/t21-,22-,28-,29-,30-,32-/m0/s1 OYUWAAXUJRTVGW-DFNYOQGASA-N 50366847 CHEMBL1791012 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56681734 160845949 CHEMBL1791012 ZINC27436132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022640 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C32H51N5O8/c1-17(2)12-24(36-29(41)20(7)34-30(42)25(13-18(3)4)35-21(8)38)26(39)15-27(40)37-28(19(5)6)31(43)33-16-22-10-9-11-23(14-22)32(44)45/h9-11,14,17-20,24-26,28,39H,12-13,15-16H2,1-8H3,(H,33,43)(H,34,42)(H,35,38)(H,36,41)(H,37,40)(H,44,45)/t20-,24-,25-,26-,28-/m0/s1 XUFSYXVSQNGXSZ-QPGFMSSHSA-N 50136328 3-[((S)-2-{(3S,4S)-4-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL137101 Beta-secretase 1 Homo sapiens 520 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357361 104026622 CHEMBL137101 ZINC27431955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022641 CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C33H53N5O8/c1-8-10-14-25(31(43)34-18-23-12-11-13-24(16-23)33(45)46)37-28(41)17-27(40)26(15-19(3)4)38-30(42)21(6)35-32(44)29(20(5)9-2)36-22(7)39/h11-13,16,19-21,25-27,29,40H,8-10,14-15,17-18H2,1-7H3,(H,34,43)(H,35,44)(H,36,39)(H,37,41)(H,38,42)(H,45,46)/t20-,21-,25-,26-,27-,29-/m0/s1 SJWBFIBKCWCVKR-XEQFBJMUSA-N 50366846 CHEMBL1791009 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678401 160845948 CHEMBL1791009 ZINC27433189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022642 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C38H55N5O9S/c1-7-23(4)34(40-24(5)44)37(50)42-29(15-16-53-6)36(49)43-30(17-22(2)3)32(46)20-33(47)41-31(19-25-11-13-28(45)14-12-25)35(48)39-21-26-9-8-10-27(18-26)38(51)52/h8-14,18,22-23,29-32,34,45-46H,7,15-17,19-21H2,1-6H3,(H,39,48)(H,40,44)(H,41,47)(H,42,50)(H,43,49)(H,51,52)/t23-,29-,30-,31-,32-,34-/m0/s1 PQMAXDFJWOIZOF-UKVQPTFWSA-N 50366843 CHEMBL1791010 Beta-secretase 1 Homo sapiens 91 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918720 160845945 CHEMBL1791010 ZINC95548636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022643 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C31H49N5O8/c1-16(2)12-23(35-28(40)19(7)33-30(42)27(18(5)6)34-20(8)37)24(38)14-25(39)36-26(17(3)4)29(41)32-15-21-10-9-11-22(13-21)31(43)44/h9-11,13,16-19,23-24,26-27,38H,12,14-15H2,1-8H3,(H,32,41)(H,33,42)(H,34,37)(H,35,40)(H,36,39)(H,43,44)/t19-,23-,24-,26-,27-/m0/s1 ZRZMPGJQZBLIMC-CADLLZAKSA-N 50136336 3-[((S)-2-{(3S,4S)-4-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL344932 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357362 104026630 CHEMBL344932 ZINC27431960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022644 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C45H72N8O14S/c1-23(2)20-31(50-42(63)30(18-19-68-8)49-44(65)38(25(5)6)53-40(61)28(46)14-16-35(56)57)33(54)22-34(55)52-37(24(3)4)43(64)47-26(7)39(60)48-29(15-17-36(58)59)41(62)51-32(45(66)67)21-27-12-10-9-11-13-27/h9-13,23-26,28-33,37-38,54H,14-22,46H2,1-8H3,(H,47,64)(H,48,60)(H,49,65)(H,50,63)(H,51,62)(H,52,55)(H,53,61)(H,56,57)(H,58,59)(H,66,67)/t26-,28-,29-,30-,31-,32-,33-,37-,38-/m0/s1 GVHPUMIDRLQFDZ-BBNABJEWSA-N 50136347 CHEMBL335837::Glu-Val-Met-statine-Val-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357569 104026641 CHEMBL335837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022645 CCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C31H49N5O8/c1-8-10-23(34-20(7)37)29(41)33-19(6)28(40)35-24(13-17(2)3)25(38)15-26(39)36-27(18(4)5)30(42)32-16-21-11-9-12-22(14-21)31(43)44/h9,11-12,14,17-19,23-25,27,38H,8,10,13,15-16H2,1-7H3,(H,32,42)(H,33,41)(H,34,37)(H,35,40)(H,36,39)(H,43,44)/t19-,23-,24-,25-,27-/m0/s1 BNFDVVZQUBGLIW-YLGVKUCZSA-N 50136350 3-[((S)-2-{(3S,4S)-4-[(S)-2-((S)-2-Acetylamino-pentanoylamino)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL136868 Beta-secretase 1 Homo sapiens 830 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357363 104026644 CHEMBL136868 ZINC27436258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022646 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022647 CCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C34H55N5O8S/c1-8-11-25(31(43)35-19-23-12-10-13-24(17-23)34(46)47)37-29(42)18-28(41)27(16-20(3)4)39-32(44)26(14-15-48-7)38-33(45)30(21(5)9-2)36-22(6)40/h10,12-13,17,20-21,25-28,30,41H,8-9,11,14-16,18-19H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,45)(H,39,44)(H,46,47)/t21-,25-,26-,27-,28-,30-/m0/s1 SELGEKSPGNJMGE-YFVDCHTDSA-N 50366851 CHEMBL1791016 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56657790 160845953 CHEMBL1791016 ZINC27432060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022648 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C36H51N5O8/c1-7-22(4)32(39-24(6)42)35(47)38-23(5)33(45)41-28(16-21(2)3)30(43)19-31(44)40-29(18-25-12-9-8-10-13-25)34(46)37-20-26-14-11-15-27(17-26)36(48)49/h8-15,17,21-23,28-30,32,43H,7,16,18-20H2,1-6H3,(H,37,46)(H,38,47)(H,39,42)(H,40,44)(H,41,45)(H,48,49)/t22-,23-,28-,29-,30-,32-/m0/s1 CATIEPZEBILMSY-IQWPEFMSSA-N 50366852 CHEMBL1791013 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661313 160845954 CHEMBL1791013 ZINC27436142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022649 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C33H53N5O8/c1-9-20(6)29(36-22(8)39)32(44)35-21(7)30(42)38-25(13-18(2)3)27(40)16-28(41)37-26(14-19(4)5)31(43)34-17-23-11-10-12-24(15-23)33(45)46/h10-12,15,18-21,25-27,29,40H,9,13-14,16-17H2,1-8H3,(H,34,43)(H,35,44)(H,36,39)(H,37,41)(H,38,42)(H,45,46)/t20-,21-,25-,26-,27-,29-/m0/s1 SXKLGECHTFDSFW-XEQFBJMUSA-N 50366841 CHEMBL1791014 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56678402 160845943 CHEMBL1791014 ZINC27434646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022650 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(N)=O InChI=1S/C27H49N7O9/c1-12(2)9-16(18(35)11-20(37)33-22(13(3)4)24(30)40)31-26(42)17(10-19(29)36)32-27(43)23(14(5)6)34-25(41)15(28)7-8-21(38)39/h12-18,22-23,35H,7-11,28H2,1-6H3,(H2,29,36)(H2,30,40)(H,31,42)(H,32,43)(H,33,37)(H,34,41)(H,38,39)/t15-,16-,17-,18-,22-,23-/m0/s1 XWXQHMLHOKKCQJ-MPQCOTKXSA-N 50136325 (S)-4-Amino-4-[(S)-1-((S)-2-carbamoyl-1-{(S)-1-[(S)-2-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-1-hydroxy-ethyl]-3-methyl-butylcarbamoyl}-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-butyric acid::CHEMBL137547 Beta-secretase 1 Homo sapiens 9400 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357540 104026619 CHEMBL137547 ZINC27433885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022651 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(N)=O InChI=1S/C35H61N9O13/c1-15(2)12-21(41-33(55)22(13-24(37)46)42-35(57)29(17(5)6)44-32(54)19(36)8-10-26(48)49)23(45)14-25(47)43-28(16(3)4)34(56)39-18(7)31(53)40-20(30(38)52)9-11-27(50)51/h15-23,28-29,45H,8-14,36H2,1-7H3,(H2,37,46)(H2,38,52)(H,39,56)(H,40,53)(H,41,55)(H,42,57)(H,43,47)(H,44,54)(H,48,49)(H,50,51)/t18-,19-,20-,21-,22-,23-,28-,29-/m0/s1 ICRKLKOXEPPIDU-BLGYDSITSA-N 50136333 (S)-4-{(S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-carbamoyl-propionylamino}-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-butyrylamino]-propionylamino}-4-carbamoyl-butyric acid::CHEMBL343757 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357541 104026627 CHEMBL343757 ZINC95541457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022652 CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C32H51N5O8/c1-9-19(6)28(35-21(8)38)31(43)34-20(7)29(41)36-24(13-17(2)3)25(39)15-26(40)37-27(18(4)5)30(42)33-16-22-11-10-12-23(14-22)32(44)45/h10-12,14,17-20,24-25,27-28,39H,9,13,15-16H2,1-8H3,(H,33,42)(H,34,43)(H,35,38)(H,36,41)(H,37,40)(H,44,45)/t19-,20+,24+,25+,27+,28-/m1/s1 ACDPDEUYTFMJKV-NGFMZXAOSA-N 50366845 CHEMBL1791019 Beta-secretase 1 Homo sapiens >91000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56661314 160845947 CHEMBL1791019 ZINC27432456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022653 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C46H74N8O14S/c1-24(2)20-32(52-43(64)31(18-19-69-8)51-45(66)39(26(5)6)54-41(62)29(47)14-16-37(57)58)35(55)23-36(56)49-33(21-25(3)4)44(65)48-27(7)40(61)50-30(15-17-38(59)60)42(63)53-34(46(67)68)22-28-12-10-9-11-13-28/h9-13,24-27,29-35,39,55H,14-23,47H2,1-8H3,(H,48,65)(H,49,56)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,62)(H,57,58)(H,59,60)(H,67,68)/t27-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1 XEURVBDBIQEOAJ-LMFHWLLXSA-N 50136342 CHEMBL134730::Glu-Val-Met-statine-Leu-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357455 104026636 CHEMBL134730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022654 CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O InChI=1S/C32H51N5O8/c1-17(2)12-24(36-29(41)20(7)34-30(42)25(13-18(3)4)35-21(8)38)26(39)15-27(40)37-28(19(5)6)31(43)33-16-22-10-9-11-23(14-22)32(44)45/h9-11,14,17-20,24-26,28,39H,12-13,15-16H2,1-8H3,(H,33,43)(H,34,42)(H,35,38)(H,36,41)(H,37,40)(H,44,45)/t20-,24+,25+,26+,28+/m1/s1 XUFSYXVSQNGXSZ-QSIITTNHSA-N 50136327 3-[((S)-2-{(3S,4S)-4-[(R)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL334591 Beta-secretase 1 Homo sapiens >91000 ChEMBL 10.1016/j.bmcl.2003.09.037 10.7270/Q2513ZR3 14643321 Hu, J; Cwi, CL; Smiley, DL; Timm, D; Erickson, JA; McGee, JE; Yang, HC; Mendel, D; May, PC; Shapiro, M; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44357330 104026621 CHEMBL334591 ZINC27428233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50022524 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C47H66N8O16/c1-24(2)20-32(52-45(68)38(25(3)4)55-41(64)29(48)16-18-35(56)57)44(67)51-31(21-27-12-8-6-9-13-27)39(62)46(69)53-33(23-37(60)61)43(66)49-26(5)40(63)50-30(17-19-36(58)59)42(65)54-34(47(70)71)22-28-14-10-7-11-15-28/h6-15,24-26,29-34,38-39,62H,16-23,48H2,1-5H3,(H,49,66)(H,50,63)(H,51,67)(H,52,68)(H,53,69)(H,54,65)(H,55,64)(H,56,57)(H,58,59)(H,60,61)(H,70,71)/t26-,29-,30-,31-,32-,33-,34-,38-,39+/m0/s1 XZLFSKMZGRMIHM-OGBCTUIFSA-N 50136233 CHEMBL406146::HGluValLeuPnsAspAlaGluPheOH::KMI-008::Octapeptide analogue Beta-secretase 1 Homo sapiens 413 ChEMBL 10.1016/j.bmcl.2003.09.053 10.7270/Q26H4GTQ 14643307 Shuto, D; Kasai, S; Kimura, T; Liu, P; Hidaka, K; Hamada, T; Shibakawa, S; Hayashi, Y; Hattori, C; Szabo, B; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918718 104026535 CHEMBL406146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025773 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C43H63N5O9/c1-26(2)20-35(45-28(5)49)41(54)47-34(22-30-14-10-7-11-15-30)37(51)23-38(52)46-33(21-29-12-8-6-9-13-29)36(50)24-39(53)48-40(27(3)4)42(55)44-25-31-16-18-32(19-17-31)43(56)57/h7,10-11,14-19,26-27,29,33-37,40,50-51H,6,8-9,12-13,20-25H2,1-5H3,(H,44,55)(H,45,49)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t33-,34-,35-,36-,37-,40-/m0/s1 ZVXCJOOKLVCHKW-KOMDZNNPSA-N 50148337 4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-hydroxy-5-phenyl-pentanoylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL332260 Beta-secretase 1 Homo sapiens 50.0 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343242 104036662 CHEMBL332260 ZINC95541344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025774 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C43H63N5O9/c1-26(2)20-35(45-28(5)49)41(54)47-34(22-30-14-10-7-11-15-30)37(51)23-38(52)46-33(21-29-12-8-6-9-13-29)36(50)24-39(53)48-40(27(3)4)42(55)44-25-31-16-18-32(19-17-31)43(56)57/h7,10-11,14-19,26-27,29,33-37,40,50-51H,6,8-9,12-13,20-25H2,1-5H3,(H,44,55)(H,45,49)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t33-,34-,35-,36-,37-,40-/m0/s1 ZVXCJOOKLVCHKW-KOMDZNNPSA-N 50148337 4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-hydroxy-5-phenyl-pentanoylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL332260 Beta-secretase 1 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343242 104036662 CHEMBL332260 ZINC95541344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025775 CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCSC)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C37H61N5O9S/c1-9-23(6)17-28(41-35(48)29(16-21(2)3)39-24(7)43)31(45)19-32(46)40-27(14-15-52-8)30(44)18-33(47)42-34(22(4)5)36(49)38-20-25-10-12-26(13-11-25)37(50)51/h10-13,21-23,27-31,34,44-45H,9,14-20H2,1-8H3,(H,38,49)(H,39,43)(H,40,46)(H,41,48)(H,42,47)(H,50,51)/t23?,27?,28-,29-,30-,31-,34-/m0/s1 YQMQMGGGCAAQDG-WCMJDDJTSA-N 50148346 4-[((S)-2-{(S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-hydroxy-6-methyl-octanoylamino]-3-hydroxy-6-methylsulfanyl-hexanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL324109 Beta-secretase 1 Homo sapiens 460 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343266 104036671 CHEMBL324109 ZINC27085264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025776 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C40H58N4O9/c1-25(2)36(37(49)41-24-28-16-18-29(19-17-28)38(50)51)44-35(48)23-32(45)30(20-26-12-8-6-9-13-26)42-34(47)22-33(46)31(21-27-14-10-7-11-15-27)43-39(52)53-40(3,4)5/h7,10-11,14-19,25-26,30-33,36,45-46H,6,8-9,12-13,20-24H2,1-5H3,(H,41,49)(H,42,47)(H,43,52)(H,44,48)(H,50,51)/t30-,31-,32-,33-,36-/m0/s1 YJBWLNFJXTYWKI-XOSLRORVSA-N 50148339 4-({(S)-2-[(2S,4S)-4-((3S,4S)-4-tert-Butoxycarbonylamino-3-hydroxy-5-phenyl-pentanoylamino)-5-cyclohexyl-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-methyl)-benzoic acid::CHEMBL326488 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343498 104036664 CHEMBL326488 ZINC27093552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025777 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C39H55N5O9/c1-24(2)37(38(51)41-22-28-14-16-29(17-15-28)39(52)53)44-35(49)21-33(47)30(18-26-10-6-4-7-11-26)42-34(48)20-32(46)31(19-27-12-8-5-9-13-27)43-36(50)23-40-25(3)45/h5,8-9,12-17,24,26,30-33,37,46-47H,4,6-7,10-11,18-23H2,1-3H3,(H,40,45)(H,41,51)(H,42,48)(H,43,50)(H,44,49)(H,52,53)/t30-,31-,32-,33-,37-/m0/s1 RXKVIPFWMWIWMP-CQCRDEEPSA-N 50148341 4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-(2-Acetylamino-acetylamino)-3-hydroxy-5-phenyl-pentanoylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL114147 Beta-secretase 1 Homo sapiens 9000 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343294 104036666 CHEMBL114147 ZINC27084280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025778 CCC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C41H61N5O9/c1-8-26(6)19-31(34(48)22-37(51)46-38(25(4)5)40(53)42-23-29-14-16-30(17-15-29)41(54)55)44-36(50)21-35(49)32(20-28-12-10-9-11-13-28)45-39(52)33(18-24(2)3)43-27(7)47/h9-17,24-26,31-35,38,48-49H,8,18-23H2,1-7H3,(H,42,53)(H,43,47)(H,44,50)(H,45,52)(H,46,51)(H,54,55)/t26?,31-,32-,33-,34-,35-,38-/m0/s1 RGDFSZUFTCYIHO-IQGROLDRSA-N 50148344 4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-hydroxy-5-phenyl-pentanoylamino]-3-hydroxy-6-methyl-octanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL309438 Beta-secretase 1 Homo sapiens 650 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44318039 104036669 CHEMBL309438 ZINC95610247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025779 CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C41H61N5O9/c1-8-26(6)19-31(45-39(52)33(18-24(2)3)43-27(7)47)34(48)21-36(50)44-32(20-28-12-10-9-11-13-28)35(49)22-37(51)46-38(25(4)5)40(53)42-23-29-14-16-30(17-15-29)41(54)55/h9-17,24-26,31-35,38,48-49H,8,18-23H2,1-7H3,(H,42,53)(H,43,47)(H,44,50)(H,45,52)(H,46,51)(H,54,55)/t26?,31-,32-,33-,34-,35-,38-/m0/s1 SVCPLPDXRDYRPF-IQGROLDRSA-N 50148338 4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-hydroxy-6-methyl-octanoylamino]-3-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL332948 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11765692 104036663 CHEMBL332948 ZINC95611190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025780 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C46H61N5O9/c1-29(2)43(45(58)47-28-34-19-21-35(22-20-34)46(59)60)51-42(56)27-39(53)36(23-31-13-7-4-8-14-31)49-41(55)26-40(54)37(24-32-15-9-5-10-16-32)50-44(57)38(48-30(3)52)25-33-17-11-6-12-18-33/h5-6,9-12,15-22,29,31,36-40,43,53-54H,4,7-8,13-14,23-28H2,1-3H3,(H,47,58)(H,48,52)(H,49,55)(H,50,57)(H,51,56)(H,59,60)/t36-,37-,38-,39-,40-,43-/m0/s1 FKNXHXGMMAGECH-CNKJTFKXSA-N 50148343 4-[((S)-2-{(1S,5S)-4-[(2S,4S)-4-((S)-2-Acetylamino-3-phenyl-propionylamino)-3-hydroxy-5-phenyl-pentanoylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL419949 Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343400 104036668 CHEMBL419949 ZINC95543376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025781 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C35H50N4O7/c1-22(2)33(34(44)37-21-25-13-15-26(16-14-25)35(45)46)39-32(43)20-30(41)28(18-24-11-7-4-8-12-24)38-31(42)19-29(40)27(36)17-23-9-5-3-6-10-23/h3,5-6,9-10,13-16,22,24,27-30,33,40-41H,4,7-8,11-12,17-21,36H2,1-2H3,(H,37,44)(H,38,42)(H,39,43)(H,45,46)/t27-,28-,29-,30-,33-/m0/s1 HOSBXUPDQKHHFQ-UGNXYXNMSA-N 50148342 4-({(S)-2-[(2S,4S)-4-((3S,4S)-4-Amino-3-hydroxy-5-phenyl-pentanoylamino)-5-cyclohexyl-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-methyl)-benzoic acid::CHEMBL332713 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343583 104036667 CHEMBL332713 ZINC27097866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025782 CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCS(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C37H61N5O10S/c1-9-23(6)17-28(41-35(48)29(16-21(2)3)39-24(7)43)31(45)19-32(46)40-27(14-15-53(8)52)30(44)18-33(47)42-34(22(4)5)36(49)38-20-25-10-12-26(13-11-25)37(50)51/h10-13,21-23,27-31,34,44-45H,9,14-20H2,1-8H3,(H,38,49)(H,39,43)(H,40,46)(H,41,48)(H,42,47)(H,50,51)/t23?,27?,28-,29-,30-,31-,34-,53?/m0/s1 VYTGBGCTBASQBI-JKRWPQBDSA-N 50148347 4-[((S)-2-{(S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-methyl-pentanoylamino)-3-hydroxy-6-methyl-octanoylamino]-3-hydroxy-6-methanesulfinyl-hexanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL116826 Beta-secretase 1 Homo sapiens 34000 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343317 104036672 CHEMBL116826 ZINC95547078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025783 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C40H57N5O8/c1-25(2)37(39(51)42-24-28-15-17-29(18-16-28)40(52)53)45-36(49)23-33(46)31(20-26-10-5-3-6-11-26)43-35(48)22-34(47)32(21-27-12-7-4-8-13-27)44-38(50)30-14-9-19-41-30/h4,7-8,12-13,15-18,25-26,30-34,37,41,46-47H,3,5-6,9-11,14,19-24H2,1-2H3,(H,42,51)(H,43,48)(H,44,50)(H,45,49)(H,52,53)/t30-,31-,32-,33-,34-,37-/m0/s1 ZNCSVOJXHWNLGG-VGNPQVDOSA-N 50148340 4-{[(S)-2-((2S,4S)-5-Cyclohexyl-3-hydroxy-4-{(3S,4S)-3-hydroxy-5-phenyl-4-[((S)-pyrrolidine-2-carbonyl)-amino]-pentanoylamino}-pentanoylamino)-3-methyl-butyrylamino]-methyl}-benzoic acid::CHEMBL114169 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343292 104036665 CHEMBL114169 ZINC27089408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50025784 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C42H59N5O11/c1-25(2)39(41(56)43-24-29-14-16-30(17-15-29)42(57)58)47-37(52)23-34(49)32(20-27-10-6-4-7-11-27)45-36(51)22-35(50)33(21-28-12-8-5-9-13-28)46-40(55)31(44-26(3)48)18-19-38(53)54/h5,8-9,12-17,25,27,31-35,39,49-50H,4,6-7,10-11,18-24H2,1-3H3,(H,43,56)(H,44,48)(H,45,51)(H,46,55)(H,47,52)(H,53,54)(H,57,58)/t31-,32-,33-,34-,35-,39-/m0/s1 GZHNFIRTIORJKC-CLVZOXNHSA-N 50148345 4-[((S)-2-{(1S,5S)-4-[(2S,4S)-4-((S)-2-Acetylamino-4-carboxy-butyrylamino)-3-hydroxy-5-phenyl-pentanoylamino]-5-cyclohexyl-3-hydroxy-pentanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid::CHEMBL324122 Beta-secretase 1 Homo sapiens 42000 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44343293 104036670 CHEMBL324122 ZINC95542481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50595970 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C42H67N7O12S/c1-22(2)19-30(47-39(57)29(17-18-62-9)46-41(59)35(23(3)4)44-26(8)50)32(51)21-33(52)49-36(24(5)6)40(58)43-25(7)37(55)45-28(15-16-34(53)54)38(56)48-31(42(60)61)20-27-13-11-10-12-14-27/h10-14,22-25,28-32,35-36,51H,15-21H2,1-9H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,49,52)(H,53,54)(H,60,61)/t25-,28-,29-,30-,31-,32-,35-,36-/m0/s1 IUBJRDXEGAYCQB-VZVVEHFOSA-N 50127427 (S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylamino-3-(S)-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-1-oxo-heptylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::(S)-4-[2-((S)-2-{(S)-4-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-4-((S)-methylsulfanyl)-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-(S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL51386 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2004.04.068 10.7270/Q2HX1C3V 15177452 Hu, B; Fan, KY; Bridges, K; Chopra, R; Lovering, F; Cole, D; Zhou, P; Ellingboe, J; Jin, G; Cowling, R; Bard, J Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11018389 104019318 CHEMBL51386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50027470 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C37H56N8O15/c1-17(2)13-24(43-34(55)28(18(3)4)45-31(52)21(38)16-39-37(59)60)33(54)42-23(14-20-9-7-6-8-10-20)29(50)35(56)44-25(15-27(48)49)32(53)40-19(5)30(51)41-22(36(57)58)11-12-26(46)47/h6-10,17-19,21-25,28-29,39,50H,11-16,38H2,1-5H3,(H,40,53)(H,41,51)(H,42,54)(H,43,55)(H,44,56)(H,45,52)(H,46,47)(H,48,49)(H,57,58)(H,59,60)/t19-,21-,22-,23-,24-,25-,28-,29+/m0/s1 FQSVZHGSHMLRDB-JQKAUZOTSA-N 50141550 (S)-2-{(S)-2-[(S)-2-((S)-3-{(S)-2-[(S)-2-(2-Amino-3-carboxyamino-propionylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-2-(R)-hydroxy-4-phenyl-butyrylamino)-3-carboxy-propionylamino]-propionylamino}-pentanedioic acid::CHEMBL39360 Beta-secretase 1 Homo sapiens 84 ChEMBL 10.1016/j.bmcl.2003.12.088 10.7270/Q2V987H4 15006396 Kimura, T; Shuto, D; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Hattori, C; Asai, M; Kitazume, S; Saido, TC; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44285546 104031009 CHEMBL39360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50027471 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O InChI=1S/C32H44N6O9/c1-17(2)13-24(37-29(42)25(18(3)4)38-27(40)22(33)16-34-32(46)47)28(41)36-23(14-19-9-6-5-7-10-19)26(39)30(43)35-21-12-8-11-20(15-21)31(44)45/h5-12,15,17-18,22-26,34,39H,13-14,16,33H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/t22-,23-,24-,25-,26+/m0/s1 IFEJCOHXPPDCST-WBAQKLHDSA-N 50141552 3-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamino)-propionylamino]-3-methyl-butyrylamino}-4-methyl-pentanoylamino)-2-(R)-hydroxy-4-phenyl-butyrylamino]-benzoic acid::CHEMBL38830 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2003.12.088 10.7270/Q2V987H4 15006396 Kimura, T; Shuto, D; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Hattori, C; Asai, M; Kitazume, S; Saido, TC; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44285533 104031011 CHEMBL38830 ZINC29335102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50027472 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C33H44N6O11/c1-16(2)10-24(38-29(43)25(17(3)4)39-27(41)22(34)15-35-33(49)50)28(42)37-23(11-18-8-6-5-7-9-18)26(40)30(44)36-21-13-19(31(45)46)12-20(14-21)32(47)48/h5-9,12-14,16-17,22-26,35,40H,10-11,15,34H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)(H,45,46)(H,47,48)(H,49,50)/t22-,23-,24-,25-,26+/m0/s1 BOEQYSIWEFHEJW-WBAQKLHDSA-N 50141551 5-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamino)-propionylamino]-3-methyl-butyrylamino}-4-methyl-pentanoylamino)-2-(R)-hydroxy-4-phenyl-butyrylamino]-isophthalic acid::CHEMBL288713 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1016/j.bmcl.2003.12.088 10.7270/Q2V987H4 15006396 Kimura, T; Shuto, D; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Hattori, C; Asai, M; Kitazume, S; Saido, TC; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44285580 104031010 CHEMBL288713 ZINC29323944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50027473 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O InChI=1S/C34H45N5O11/c1-17(2)12-25(38-31(45)27(18(3)4)39-29(43)23(35)10-11-26(40)41)30(44)37-24(13-19-8-6-5-7-9-19)28(42)32(46)36-22-15-20(33(47)48)14-21(16-22)34(49)50/h5-9,14-18,23-25,27-28,42H,10-13,35H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,40,41)(H,47,48)(H,49,50)/t23-,24-,25-,27-,28+/m0/s1 PSCOCKHQPVMOFX-WZFFGLSISA-N 50141553 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxybutanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid::5-(3-{(S)-2-[(S)-2-((S)-2-Amino-4-(S,R)-carboxy-butyrylamino)-3-methyl-butyrylamino]-4-methyl-1-oxo-pentylamino}-2-hydroxy-4-phenyl-butyrylamino)-isophthalic acid::CHEMBL288919 Beta-secretase 1 Homo sapiens 55 ChEMBL 10.1016/j.bmcl.2003.12.088 10.7270/Q2V987H4 15006396 Kimura, T; Shuto, D; Kasai, S; Liu, P; Hidaka, K; Hamada, T; Hayashi, Y; Hattori, C; Asai, M; Kitazume, S; Saido, TC; Ishiura, S; Kiso, Y Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44285579 104031012 CHEMBL288919 ZINC29323437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486996 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14ClF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 FGBKLHOHAIWKKJ-SFHVURJKSA-N 230865 US10045974, 1::US10603310, Compound 1::US9346797, 1 Beta-secretase 1 Homo sapiens 18.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317073 336950203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486997 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14F6N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 YODJQLZHGBACFL-SFHVURJKSA-N 230866 US10045974, 2::US10603310, Compound 2::US9346797, 2 Beta-secretase 1 Homo sapiens 23.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317085 336950204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486998 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZQKVKDGKIDOTQN-SFHVURJKSA-N 230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3 Beta-secretase 1 Homo sapiens 8.50 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317100 336950205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486999 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C17H15F5N4O2/c1-8-24-12(7-28-8)14(27)25-9-2-3-11(18)10(6-9)17(15(19)20)16(21,22)5-4-13(23)26-17/h2-3,6-7,15H,4-5H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 BWFWHBMZSDOQJG-KRWDZBQOSA-N 230868 US10045974, 4::US10603310, Compound 4::US9346797, 4 Beta-secretase 1 Homo sapiens 20.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317082 336950206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487000 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 PEEPRUHZLOVBDY-IBGZPJMESA-N 230869 US10045974, 13::US10603310, Compound 13::US9346797, 13::US9346797, 5 Beta-secretase 1 Homo sapiens 6.70 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317061 336950207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487001 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3cnc(cn3)C(F)F)ccc2F)C(F)(F)CC1 InChI=1S/C18H14F7N5O/c19-10-2-1-8(29-15(31)12-7-27-11(6-28-12)14(20)21)5-9(10)18(16(22)23)17(24,25)4-3-13(26)30-18/h1-2,5-7,14,16H,3-4H2,(H2,26,30)(H,29,31)/t18-/m0/s1 ISIOLQNTVCENIT-SFHVURJKSA-N 230870 US10045974, 6::US10603310, Compound 6::US9346797, 6 Beta-secretase 1 Homo sapiens 20.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317083 336950208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487002 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1 LVZMRYZGHRCXBS-IBGZPJMESA-N 230871 US10045974, 7::US10603310, Compound 7::US9346797, 7 Beta-secretase 1 Homo sapiens 7.40 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317086 336950209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487003 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C17H15F5N4OS/c1-8-7-28-14(24-8)13(27)25-9-2-3-11(18)10(6-9)17(15(19)20)16(21,22)5-4-12(23)26-17/h2-3,6-7,15H,4-5H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 FQFYIKGRQWRTRM-KRWDZBQOSA-N 230872 US10045974, 8::US10603310, Compound 8::US9346797, 8 Beta-secretase 1 Homo sapiens 71.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317059 336950210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487004 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-10-7-25-14(26-8-10)15(29)27-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZOJVANVWTPGCGF-SFHVURJKSA-N 228168 (S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypyrimidine-2-carboxamide (Compound 9)::US10045974, 9::US10603310, Compound 9 Beta-secretase 1 Homo sapiens 6.90 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473761 375077111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487005 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 InChI=1S/C19H18F5N5O2/c1-9-15(26-8-14(27-9)31-2)16(30)28-10-3-4-12(20)11(7-10)19(17(21)22)18(23,24)6-5-13(25)29-19/h3-4,7-8,17H,5-6H2,1-2H3,(H2,25,29)(H,28,30)/t19-/m0/s1 OXHGYPKMJMHUJT-IBGZPJMESA-N 230874 US10045974, 10::US10603310, Compound 10::US9346797, 10 Beta-secretase 1 Homo sapiens 16.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317105 336950212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487006 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 BMEKAAPGFZBYOC-FQEVSTJZSA-N 228170 (S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-cyano-3-methylpicolinamide (Compound 11)::BDBM230875::US10045974, 11::US10603310, Compound 11 Beta-secretase 1 Homo sapiens 7.80 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462651 375077113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487007 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 SCASMRHOWHFBAH-SFHVURJKSA-N 230876 US10045974, 12::US10603310, Compound 12::US9346797, 12 Beta-secretase 1 Homo sapiens 6.10 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317075 336950214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487008 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 PEEPRUHZLOVBDY-IBGZPJMESA-N 230869 US10045974, 13::US10603310, Compound 13::US9346797, 13::US9346797, 5 Beta-secretase 1 Homo sapiens 14.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317061 336950207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487009 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZQKVKDGKIDOTQN-SFHVURJKSA-N 230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3 Beta-secretase 1 Homo sapiens 18.0 4.5 25.00 C US Patent 10.7270/Q2T72KF3 aid1795128 US10045974 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317100 336950205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50026589 CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O)C(=O)NCC(C)C InChI=1S/C28H45N3O6/c1-6-10-21(27(35)29-17-19(4)5)15-24(32)22(14-20-11-8-7-9-12-20)30-26(34)16-23(28(36)37)31-25(33)13-18(2)3/h7-9,11-12,18-19,21-24,32H,6,10,13-17H2,1-5H3,(H,29,35)(H,30,34)(H,31,33)(H,36,37)/t21-,22+,23+,24+/m1/s1 KWRXVLZWXUNSLX-SBFWRKJZSA-N 50139110 (S)-N-((1S,2S,4R)-1-Benzyl-2-hydroxy-4-isobutylcarbamoyl-heptyl)-2-(3-methyl-butyrylamino)-succinamic acid::CHEMBL158203 Beta-secretase 1 Homo sapiens 69500 ChEMBL 10.1016/j.bmcl.2003.11.061 10.7270/Q21835X0 14741251 Brady, SF; Singh, S; Crouthamel, MC; Holloway, MK; Coburn, CA; Garsky, VM; Bogusky, M; Pennington, MW; Vacca, JP; Hazuda, D; Lai, MT Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44370558 104029069 CHEMBL158203 C03306 ZINC27657954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50026590 CC(C)CNC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O InChI=1S/C27H43N3O7/c1-17(2)12-24(33)30-22(27(36)37)15-25(34)29-21(13-19-8-6-5-7-9-19)23(32)14-20(10-11-31)26(35)28-16-18(3)4/h5-9,17-18,20-23,31-32H,10-16H2,1-4H3,(H,28,35)(H,29,34)(H,30,33)(H,36,37)/t20-,21+,22+,23+/m1/s1 BIQKMOUAVXIPRL-LDVJMBRRSA-N 50139112 (S)-N-((1S,2S,4R)-1-Benzyl-2,6-dihydroxy-4-isobutylcarbamoyl-hexyl)-2-(3-methyl-butyrylamino)-succinamic acid::CHEMBL347901 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2003.11.061 10.7270/Q21835X0 14741251 Brady, SF; Singh, S; Crouthamel, MC; Holloway, MK; Coburn, CA; Garsky, VM; Bogusky, M; Pennington, MW; Vacca, JP; Hazuda, D; Lai, MT Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44370759 104029071 CHEMBL347901 C03306 ZINC27707002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50026591 CC(C)CNC(=O)[C@H](CCC(O)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O InChI=1S/C28H43N3O8/c1-17(2)12-24(33)31-22(28(38)39)15-25(34)30-21(13-19-8-6-5-7-9-19)23(32)14-20(10-11-26(35)36)27(37)29-16-18(3)4/h5-9,17-18,20-23,32H,10-16H2,1-4H3,(H,29,37)(H,30,34)(H,31,33)(H,35,36)(H,38,39)/t20-,21+,22+,23+/m1/s1 XXRGSFKBMOSNFU-LDVJMBRRSA-N 50139111 (4R,6S,7S)-7-[(S)-3-Carboxy-3-(3-methyl-butyrylamino)-propionylamino]-6-hydroxy-4-isobutylcarbamoyl-8-phenyl-octanoic acid::CHEMBL157575 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2003.11.061 10.7270/Q21835X0 14741251 Brady, SF; Singh, S; Crouthamel, MC; Holloway, MK; Coburn, CA; Garsky, VM; Bogusky, M; Pennington, MW; Vacca, JP; Hazuda, D; Lai, MT Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11757267 104029070 CHEMBL157575 C03306 ZINC27708080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50026592 CC(C)CNC(=O)[C@H](CCOC(C)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O InChI=1S/C29H45N3O8/c1-18(2)13-26(35)32-24(29(38)39)16-27(36)31-23(14-21-9-7-6-8-10-21)25(34)15-22(11-12-40-20(5)33)28(37)30-17-19(3)4/h6-10,18-19,22-25,34H,11-17H2,1-5H3,(H,30,37)(H,31,36)(H,32,35)(H,38,39)/t22-,23+,24+,25+/m1/s1 FQFQVINPQPAWNY-ROHNOIKCSA-N 50139109 (S)-N-((1S,2S,4R)-6-Acetoxy-1-benzyl-2-hydroxy-4-isobutylcarbamoyl-hexyl)-2-(3-methyl-butyrylamino)-succinamic acid::CHEMBL154897 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1016/j.bmcl.2003.11.061 10.7270/Q21835X0 14741251 Brady, SF; Singh, S; Crouthamel, MC; Holloway, MK; Coburn, CA; Garsky, VM; Bogusky, M; Pennington, MW; Vacca, JP; Hazuda, D; Lai, MT Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44370533 104029068 CHEMBL154897 C03306 ZINC27654828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487568 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2csc3cc(cnc23)C#N)ccc1F InChI=1S/C21H20FN5O2S2/c1-20(2)19(24)27-21(3,11-31(20,28)29)14-7-13(4-5-15(14)22)26-16-10-30-17-6-12(8-23)9-25-18(16)17/h4-7,9-10,26H,11H2,1-3H3,(H2,24,27)/t21-/m0/s1 YYLFRZJBVWKHIP-NRFANRHFSA-N 228430 US9556135, 73 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228430&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670489 376220572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487570 COc1cnc2c(Nc3cnc(F)c(c3)C3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2c1 InChI=1S/C21H23FN6O3S/c1-20(2)19(23)28-21(3,11-32(20,29)30)15-8-13(9-26-17(15)22)27-18-16-12(5-6-24-18)7-14(31-4)10-25-16/h5-10H,11H2,1-4H3,(H2,23,28)(H,24,27) DHBVZRBVVXAHOU-UHFFFAOYSA-N 228431 US9556135, 66 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228431&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117884197 376220573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487572 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)cccc2n1 InChI=1S/C22H24FN5O3S/c1-21(2)20(24)28-22(3,12-32(21,29)30)14-10-13(8-9-15(14)23)26-16-6-5-7-17-19(16)25-11-18(27-17)31-4/h5-11,26H,12H2,1-4H3,(H2,24,28)/t22-/m0/s1 PXGUCDPWUSFXIE-QFIPXVFZSA-N 228432 US9556135, 75 Beta-secretase 1 Homo sapiens 11.4 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670827 376220574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487574 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H21F2N5O4S/c1-18(2)17(22)26-19(9-20,10-31(18,28)29)12-6-11(4-5-13(12)21)25-16(27)14-7-24-15(30-3)8-23-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27) XGFNOMGRQYETAF-UHFFFAOYSA-N 228433 US9556135, 31 Beta-secretase 1 Homo sapiens 3.80 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869658 376220575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487576 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)C(C)(C)S(=O)(=O)[C@@H]3F)nccc2c1 InChI=1S/C22H23F2N5O3S/c1-21(2)20(25)29-22(3,19(24)33(21,30)31)15-10-13(5-6-16(15)23)28-18-17-12(7-8-26-18)9-14(32-4)11-27-17/h5-11,19H,1-4H3,(H2,25,29)(H,26,28)/t19-,22+/m0/s1 PBOBNHAKZWFEMD-SIKLNZKXSA-N 228434 US9556135, 44 Beta-secretase 1 Homo sapiens 9.90 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715756 376220576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487578 COc1cnc2c(Nc3ccc(F)c(c3)C3(CF)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2c1 InChI=1S/C22H23F2N5O3S/c1-21(2)20(25)29-22(11-23,12-33(21,30)31)16-9-14(4-5-17(16)24)28-19-18-13(6-7-26-19)8-15(32-3)10-27-18/h4-10H,11-12H2,1-3H3,(H2,25,29)(H,26,28) CFLQCOBPYLKOLW-UHFFFAOYSA-N 228435 US9556135, 61 Beta-secretase 1 Homo sapiens 6.50 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870158 376220577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487580 Cc1nc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2s1 InChI=1S/C20H22FN5O2S2/c1-11-24-16-15(29-11)7-8-23-17(16)25-12-5-6-14(21)13(9-12)20(4)10-30(27,28)19(2,3)18(22)26-20/h5-9H,10H2,1-4H3,(H2,22,26)(H,23,25)/t20-/m0/s1 NWMHRSRMLBRWIN-FQEVSTJZSA-N 228436 US9556135, 54 Beta-secretase 1 Homo sapiens 17.2 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117868996 376220578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487582 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C20H23FN4O4S/c1-19(2)18(22)25-20(3,11-30(19,27)28)14-9-12(5-7-15(14)21)24-17(26)16-8-6-13(29-4)10-23-16/h5-10H,11H2,1-4H3,(H2,22,25)(H,24,26)/t20-/m0/s1 XUTZNLTZWSGTCL-FQEVSTJZSA-N 228437 US9556135, 22 Beta-secretase 1 Homo sapiens 1.50 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669986 376220579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487584 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H20FN5O3S/c1-19(2)18(23)26-20(3,11-30(19,28)29)14-8-13(5-6-15(14)21)25-17(27)16-7-4-12(9-22)10-24-16/h4-8,10H,11H2,1-3H3,(H2,23,26)(H,25,27)/t20-/m0/s1 SQPMMXMVMZGIEG-FQEVSTJZSA-N 209917 US9273042, 6::US9556135, 23 Beta-secretase 1 Homo sapiens 2.70 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562670 328082892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487586 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-7-11(4-5-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 QDKKAFVEGFXSCW-IBGZPJMESA-N 228439 US9556135, 24 Beta-secretase 1 Homo sapiens 0.600 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562571 376220581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487588 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C20H22ClFN4O3S/c1-11-7-12(21)9-24-16(11)17(27)25-13-5-6-15(22)14(8-13)20(4)10-30(28,29)19(2,3)18(23)26-20/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1 CMPRHMPESKXRLY-FQEVSTJZSA-N 228440 US9556135, 25 Beta-secretase 1 Homo sapiens 0.300 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669987 376220582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487590 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H25FN4O4S/c1-5-6-11-32-16-8-10-19(26-13-16)20(29)27-15-7-9-18(24)17(12-15)23(4)14-33(30,31)22(2,3)21(25)28-23/h7-10,12-13H,11,14H2,1-4H3,(H2,25,28)(H,27,29)/t23-/m0/s1 XGXARZWCDVZGOB-QHCPKHFHSA-N 228441 US9556135, 26 Beta-secretase 1 Homo sapiens 0.400 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117884196 376220583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487592 Cc1nc(cs1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C18H21FN4O3S2/c1-10-21-14(8-27-10)15(24)22-11-5-6-13(19)12(7-11)18(4)9-28(25,26)17(2,3)16(20)23-18/h5-8H,9H2,1-4H3,(H2,20,23)(H,22,24)/t18-/m0/s1 RVBIETSKBDUIMW-SFHVURJKSA-N 228442 US9556135, 27 Beta-secretase 1 Homo sapiens 51.0 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669989 375077261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487594 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1 VDJQZEYADVRHBV-IBGZPJMESA-N 228443 US9556135, 38 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562366 375077262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487596 CC1(C)C(N)=N[C@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m1/s1 VDJQZEYADVRHBV-LJQANCHMSA-N 228444 US9556135, 39 Beta-secretase 1 Homo sapiens 1180 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669819 375077263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487598 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-13(8-15(23)16(14)24)28-18-17-11(4-5-26-18)6-12(22)9-27-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,26,28)/t21-/m0/s1 SFYOLSDDWGWULR-NRFANRHFSA-N 228415 US9556135, 69::US9556135, 70 Beta-secretase 1 Homo sapiens 830 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670988 376220557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487600 COc1cnc(cn1)C(=O)Nc1cc(c(F)cn1)C1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C18H21FN6O4S/c1-17(2)16(20)25-18(3,9-30(17,27)28)10-5-13(22-6-11(10)19)24-15(26)12-7-23-14(29-4)8-21-12/h5-8H,9H2,1-4H3,(H2,20,25)(H,22,24,26) NABRQSZDYUIMPY-UHFFFAOYSA-N 228446 US9556135, 41 Beta-secretase 1 Homo sapiens 252 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869837 375077265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487602 COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C18H21FN6O4S/c1-17(2)16(20)25-18(3,9-30(17,27)28)14-10(19)5-6-12(23-14)24-15(26)11-7-22-13(29-4)8-21-11/h5-8H,9H2,1-4H3,(H2,20,25)(H,23,24,26)/t18-/m0/s1 PYROVEFAHOYHPD-SFHVURJKSA-N 228447 US9556135, 40 Beta-secretase 1 Homo sapiens 8200 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670144 375077266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487604 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F InChI=1S/C21H20F4N6O2S/c1-19(2)18(26)31-20(3,10-34(19,32)33)12-8-11(4-5-13(12)22)29-17-16-14(6-7-27-17)30-15(9-28-16)21(23,24)25/h4-9H,10H2,1-3H3,(H2,26,31)(H,27,29)/t20-/m0/s1 FWVGUPXMKCIVMV-FQEVSTJZSA-N 228448 US9556135, 55 Beta-secretase 1 Homo sapiens 5.20 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670321 375077267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487606 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(O)cnc23)cc(F)c1F InChI=1S/C20H20F2N6O3S/c1-19(2)18(23)28-20(3,9-32(19,30)31)11-6-10(7-12(21)15(11)22)26-17-16-13(4-5-24-17)27-14(29)8-25-16/h4-8H,9H2,1-3H3,(H2,23,28)(H,24,26)(H,27,29)/t20-/m0/s1 GVPKIUOCZPFRMD-FQEVSTJZSA-N 228449 US9556135, 71 Beta-secretase 1 Homo sapiens 3.70 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715757 375077268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487608 CC1(C)C(N)=N[C@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(O)cnc23)cc(F)c1F InChI=1S/C20H20F2N6O3S/c1-19(2)18(23)28-20(3,9-32(19,30)31)11-6-10(7-12(21)15(11)22)26-17-16-13(4-5-24-17)27-14(29)8-25-16/h4-8H,9H2,1-3H3,(H2,23,28)(H,24,26)(H,27,29)/t20-/m1/s1 GVPKIUOCZPFRMD-HXUWFJFHSA-N 228450 US9556135, 72 Beta-secretase 1 Homo sapiens 505 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870276 375077269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487610 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2ccc(cc2)C#N)ccc1F InChI=1S/C20H20FN3O3S/c1-19(2)18(23)24-20(3,12-28(19,25)26)16-10-15(8-9-17(16)21)27-14-6-4-13(11-22)5-7-14/h4-10H,12H2,1-3H3,(H2,23,24)/t20-/m0/s1 TVKLUXCEVPTNEE-FQEVSTJZSA-N 228451 US9556135, 96 Beta-secretase 1 Homo sapiens 1800 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715779 375077270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487612 COc1cc(C)ccc1Oc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H25FN2O4S/c1-13-6-9-17(18(10-13)27-5)28-14-7-8-16(22)15(11-14)21(4)12-29(25,26)20(2,3)19(23)24-21/h6-11H,12H2,1-5H3,(H2,23,24)/t21-/m0/s1 PMYFZUAWQPDBFG-NRFANRHFSA-N 228452 US9556135, 97 Beta-secretase 1 Homo sapiens 11700 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870284 375077271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487614 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2cc(F)cc(c2)C(F)(F)F)ccc1F InChI=1S/C20H19F5N2O3S/c1-18(2)17(26)27-19(3,10-31(18,28)29)15-9-13(4-5-16(15)22)30-14-7-11(20(23,24)25)6-12(21)8-14/h4-9H,10H2,1-3H3,(H2,26,27)/t19-/m0/s1 TWFSVWKGHQMBPD-IBGZPJMESA-N 228453 US9556135, 98 Beta-secretase 1 Homo sapiens 135 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869017 375077272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487616 CCc1cccc(Oc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c1 InChI=1S/C21H25FN2O3S/c1-5-14-7-6-8-15(11-14)27-16-9-10-18(22)17(12-16)21(4)13-28(25,26)20(2,3)19(23)24-21/h6-12H,5,13H2,1-4H3,(H2,23,24)/t21-/m0/s1 VBEPVQTXIJTNNI-NRFANRHFSA-N 228454 US9556135, 99 Beta-secretase 1 Homo sapiens 1430 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870103 375077273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487618 CCc1cc(Oc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)ccc1Cl InChI=1S/C21H24ClFN2O3S/c1-5-13-10-14(6-8-17(13)22)28-15-7-9-18(23)16(11-15)21(4)12-29(26,27)20(2,3)19(24)25-21/h6-11H,5,12H2,1-4H3,(H2,24,25)/t21-/m0/s1 WTIFMXYHNPENQZ-NRFANRHFSA-N 228455 US9556135, 100 Beta-secretase 1 Homo sapiens 1550 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870118 375077274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487620 COc1ccc(C)cc1Oc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H25FN2O4S/c1-13-6-9-17(27-5)18(10-13)28-14-7-8-16(22)15(11-14)21(4)12-29(25,26)20(2,3)19(23)24-21/h6-11H,12H2,1-5H3,(H2,23,24)/t21-/m0/s1 KAPIUWUCDLQETH-NRFANRHFSA-N 228456 US9556135, 101 Beta-secretase 1 Homo sapiens 15200 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869619 375077275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487622 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2ccc3ccccc3c2)ccc1F InChI=1S/C23H23FN2O3S/c1-22(2)21(25)26-23(3,14-30(22,27)28)19-13-18(10-11-20(19)24)29-17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,14H2,1-3H3,(H2,25,26)/t23-/m0/s1 NBHYVRPOYDEVFU-QHCPKHFHSA-N 228457 US9556135, 102 Beta-secretase 1 Homo sapiens 2350 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869099 375077276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487624 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2ccccn2)ccc1F InChI=1S/C18H20FN3O3S/c1-17(2)16(20)22-18(3,11-26(17,23)24)13-10-12(7-8-14(13)19)25-15-6-4-5-9-21-15/h4-10H,11H2,1-3H3,(H2,20,22)/t18-/m0/s1 CBOBIRZCTYTCGE-SFHVURJKSA-N 228458 US9556135, 103 Beta-secretase 1 Homo sapiens 119 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715784 375077277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487626 C[C@@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Br)ncc1F InChI=1S/C13H15BrFN3O2S/c1-12(8-5-10(14)17-6-9(8)15)7-21(19,20)13(3-2-4-13)11(16)18-12/h5-6H,2-4,7H2,1H3,(H2,16,18)/t12-/m1/s1 OJSKGLKVCSCGHR-GFCCVEGCSA-N 228459 US9556135, 146 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715848 375077278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487628 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Br)ncc1F InChI=1S/C13H15BrFN3O2S/c1-12(8-5-10(14)17-6-9(8)15)7-21(19,20)13(3-2-4-13)11(16)18-12/h5-6H,2-4,7H2,1H3,(H2,16,18)/t12-/m0/s1 OJSKGLKVCSCGHR-LBPRGKRZSA-N 228460 US9556135, 147 Beta-secretase 1 Homo sapiens 17000 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869600 375077279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487656 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C22H21ClFN5O2S/c1-21(12-32(30,31)22(6-2-7-22)20(25)29-21)16-10-15(3-4-17(16)24)28-19-18-13(5-8-26-19)9-14(23)11-27-18/h3-5,8-11H,2,6-7,12H2,1H3,(H2,25,29)(H,26,28)/t21-/m0/s1 NFQXBOCVCZLPRR-NRFANRHFSA-N 228463 US9556135, 116 Beta-secretase 1 Homo sapiens 1.15 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669640 375077280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487658 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CC(F)(F)C4)C(N)=N3)nccc2n1 InChI=1S/C22H21F3N6O3S/c1-20(11-35(32,33)21(19(26)31-20)9-22(24,25)10-21)13-7-12(3-4-14(13)23)29-18-17-15(5-6-27-18)30-16(34-2)8-28-17/h3-8H,9-11H2,1-2H3,(H2,26,31)(H,27,29)/t20-/m0/s1 PMEOUARKXXNNJH-FQEVSTJZSA-N 228465 US9556135, 128 Beta-secretase 1 Homo sapiens 25.9 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117884191 375077281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487698 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C23H21FN6O2S/c1-22(13-33(31,32)23(7-3-8-23)21(25)30-22)17-11-15(4-5-18(17)24)29-20-19-14(6-9-27-20)10-16(26-2)12-28-19/h4-6,9-12H,3,7-8,13H2,1H3,(H2,25,30)(H,27,29)/t22-/m0/s1 FZBXNKVRSWVQTI-QFIPXVFZSA-N 228466 US9556135, 117 Beta-secretase 1 Homo sapiens 1.89 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134822682 375077282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487704 C[C@]1(CS(=O)(=O)C2(CC(O)C2)C(N)=N1)c1cc(Br)ccc1F InChI=1S/C14H16BrFN2O3S/c1-13(10-4-8(15)2-3-11(10)16)7-22(20,21)14(12(17)18-13)5-9(19)6-14/h2-4,9,19H,5-7H2,1H3,(H2,17,18)/t9?,13-,14?/m0/s1 YDHQDIRNVIUFBX-IMXVTNBVSA-N 228467 US9556135, 112 Beta-secretase 1 Homo sapiens 1190 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715819 375077283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487706 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Br)ccc1F InChI=1S/C14H16BrFN2O2S/c1-13(10-7-9(15)3-4-11(10)16)8-21(19,20)14(5-2-6-14)12(17)18-13/h3-4,7H,2,5-6,8H2,1H3,(H2,17,18)/t13-/m0/s1 OHIZIMKLTSXLIE-ZDUSSCGKSA-N 228468 US9556135, 113 Beta-secretase 1 Homo sapiens 4050 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715829 375077284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487708 C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(Br)ccc1F InChI=1S/C14H15BrF2N2O2S/c1-13(10-4-8(15)2-3-11(10)17)7-22(20,21)14(12(18)19-13)5-9(16)6-14/h2-4,9H,5-7H2,1H3,(H2,18,19)/t9-,13-,14+/m0/s1 BUQDCUIWFVNCKZ-QCZZGDTMSA-N 228469 US9556135, 118 Beta-secretase 1 Homo sapiens 4090 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869730 375077285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487886 COc1cnc(cn1)C(=O)Nc1cc(c(F)cn1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C18H21FN6O4S/c1-17(2)16(20)25-18(3,9-30(17,27)28)10-5-13(22-6-11(10)19)24-15(26)12-7-23-14(29-4)8-21-12/h5-8H,9H2,1-4H3,(H2,20,25)(H,22,24,26)/t18-/m0/s1 NABRQSZDYUIMPY-SFHVURJKSA-N 228470 US9556135, 143 Beta-secretase 1 Homo sapiens 115 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715843 375077286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487888 Cc1c(CNc2cc(c(F)cn2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)nc2ccc(Cl)cn12 InChI=1S/C21H24ClFN6O2S/c1-12-16(27-18-6-5-13(22)10-29(12)18)9-26-17-7-14(15(23)8-25-17)21(4)11-32(30,31)20(2,3)19(24)28-21/h5-8,10H,9,11H2,1-4H3,(H2,24,28)(H,25,26)/t21-/m0/s1 BEXQEAHLLAXTHO-NRFANRHFSA-N 228471 US9556135, 145 Beta-secretase 1 Homo sapiens 440 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715847 375077287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487890 CC(=C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H24ClFN4O3S/c1-12(2)15-8-13(23)10-26-18(15)19(29)27-14-6-7-17(24)16(9-14)22(5)11-32(30,31)21(3,4)20(25)28-22/h6-10H,1,11H2,2-5H3,(H2,25,28)(H,27,29)/t22-/m0/s1 QMWDEUBDGRWATP-QFIPXVFZSA-N 228472 US9556135, 194 Beta-secretase 1 Homo sapiens 5.18 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869872 375077288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487892 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2C=C)ccc1F InChI=1S/C21H22ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h5-10H,1,11H2,2-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1 VXRZMGUMKNUANL-NRFANRHFSA-N 228473 US9556135, 195 Beta-secretase 1 Homo sapiens 0.590 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715938 375077289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487894 CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H24ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h6-10H,5,11H2,1-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1 AOLNFZPTGMFRTP-NRFANRHFSA-N 228474 US9556135, 196 Beta-secretase 1 Homo sapiens 1.81 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715940 375077290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487896 CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H23ClF2N4O3S/c1-4-12-7-13(22)9-26-17(12)18(29)27-14-5-6-16(24)15(8-14)21(10-23)11-32(30,31)20(2,3)19(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t21-/m0/s1 LUSNYVUXJUJPLQ-NRFANRHFSA-N 228476 US9556135, 197 Beta-secretase 1 Homo sapiens 1.46 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715941 375077291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487898 CC(C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H25ClF2N4O3S/c1-12(2)15-7-13(23)9-27-18(15)19(30)28-14-5-6-17(25)16(8-14)22(10-24)11-33(31,32)21(3,4)20(26)29-22/h5-9,12H,10-11H2,1-4H3,(H2,26,29)(H,28,30)/t22-/m0/s1 CHUGCOWDTOLNLI-QFIPXVFZSA-N 228477 US9556135, 198 Beta-secretase 1 Homo sapiens 7.99 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870156 375077292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487984 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F InChI=1S/C20H19ClF2N4O3S/c1-10-7-11(21)9-25-15(10)16(28)26-12-3-4-14(22)13(8-12)19(2)17(23)31(29,30)20(5-6-20)18(24)27-19/h3-4,7-9,17H,5-6H2,1-2H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1 QYVDNDATOSORII-PKOBYXMFSA-N 228478 US9556135, 204 Beta-secretase 1 Homo sapiens 0.870 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715948 375077293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487986 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F InChI=1S/C20H19ClF2N4O3S/c1-10-7-11(21)9-25-15(10)16(28)26-12-3-4-14(22)13(8-12)19(2)17(23)31(29,30)20(5-6-20)18(24)27-19/h3-4,7-9,17H,5-6H2,1-2H3,(H2,24,27)(H,26,28)/t17-,19-/m1/s1 QYVDNDATOSORII-IEBWSBKVSA-N 228479 US9556135, 205 Beta-secretase 1 Homo sapiens 0.440 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870324 375077294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487996 COc1cnc(cn1)C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 InChI=1S/C19H21FN6O4S/c1-18(10-31(28,29)19(4-3-5-19)17(21)26-18)11-6-14(23-7-12(11)20)25-16(27)13-8-24-15(30-2)9-22-13/h6-9H,3-5,10H2,1-2H3,(H2,21,26)(H,23,25,27)/t18-/m1/s1 HPMOGCJWKPUVLV-GOSISDBHSA-N 228867 US9556135, 142 Beta-secretase 1 Homo sapiens 10000 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118374925 376220584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487998 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H23F3N4O4S/c1-11-7-13(32-19(23)24)9-26-16(11)17(29)27-12-5-6-15(22)14(8-12)21(4)10-33(30,31)20(2,3)18(25)28-21/h5-9,19H,10H2,1-4H3,(H2,25,28)(H,27,29)/t21-/m0/s1 QMZHIBMRYCHSHF-NRFANRHFSA-N 228868 US9556135, 144 Beta-secretase 1 Homo sapiens 0.600 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715845 376220585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488000 C[C@]1(CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF3N4O3S/c1-18(10-32(30,31)19(17(25)28-18)8-20(23,24)9-19)13-6-12(3-4-14(13)22)27-16(29)15-5-2-11(21)7-26-15/h2-7H,8-10H2,1H3,(H2,25,28)(H,27,29)/t18-/m0/s1 NEKASRYLAHQPAG-SFHVURJKSA-N 228869 US9556135, 120 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715822 376220586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488002 C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H19ClF2N4O3S/c1-19(10-31(29,30)20(18(24)27-19)7-12(22)8-20)14-6-13(3-4-15(14)23)26-17(28)16-5-2-11(21)9-25-16/h2-6,9,12H,7-8,10H2,1H3,(H2,24,27)(H,26,28)/t12-,19-,20+/m0/s1 YTVUICUDVYWPCU-OCCQLPPTSA-N 228963 US9556135, 125 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869759 376220587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488004 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1 InChI=1S/C21H20ClF3N4O3S/c1-11-5-12(22)7-27-16(11)17(30)28-13-3-4-15(23)14(6-13)19(2)10-33(31,32)20(18(26)29-19)8-21(24,25)9-20/h3-7H,8-10H2,1-2H3,(H2,26,29)(H,28,30)/t19-/m0/s1 LIEUHWJVKMRNLL-IBGZPJMESA-N 228965 US9556135, 124 Beta-secretase 1 Homo sapiens <2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715825 376220588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488006 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1 InChI=1S/C22H21F5N4O4S/c1-11-5-13(35-19(24)25)7-29-16(11)17(32)30-12-3-4-15(23)14(6-12)20(2)10-36(33,34)21(18(28)31-20)8-22(26,27)9-21/h3-7,19H,8-10H2,1-2H3,(H2,28,31)(H,30,32)/t20-/m0/s1 CIYSZCCLXAWHAY-FQEVSTJZSA-N 229017 US9556135, 126 Beta-secretase 1 Homo sapiens 3.76 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715826 376220589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488008 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 InChI=1S/C21H22ClFN4O3S/c1-12-8-13(22)10-25-17(12)18(28)26-14-4-5-16(23)15(9-14)20(2)11-31(29,30)21(6-3-7-21)19(24)27-20/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1 MVICEUFADZTSAW-FQEVSTJZSA-N 229049 US9556135, 127 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715828 376220590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488010 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H22F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-4-5-15(23)14(7-12)21(9-22)10-34(31,32)20(2,3)18(26)29-21/h4-8,19H,9-10H2,1-3H3,(H2,26,29)(H,28,30)/t21-/m0/s1 YATGLEBLYQGPBI-NRFANRHFSA-N 229050 US9556135, 148 Beta-secretase 1 Homo sapiens 1.63 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715850 376220591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488012 Cc1cc(OCC2CCC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C25H30F2N4O4S/c1-15-9-18(35-12-16-5-4-6-16)11-29-21(15)22(32)30-17-7-8-20(27)19(10-17)25(13-26)14-36(33,34)24(2,3)23(28)31-25/h7-11,16H,4-6,12-14H2,1-3H3,(H2,28,31)(H,30,32)/t25-/m0/s1 ZGJKNLMPEGHVNB-VWLOTQADSA-N 229051 US9556135, 151 Beta-secretase 1 Homo sapiens 1.70 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715857 376220592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488070 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C18H19ClF3N5O3S/c1-17(2)15(23)25-18(3,8-31(17,29)30)10-6-9(4-5-12(10)20)24-14(28)13-11(19)7-27(26-13)16(21)22/h4-7,16H,8H2,1-3H3,(H2,23,25)(H,24,28)/t18-/m0/s1 BJYRWTYXIXEUJH-SFHVURJKSA-N 229052 US9556135, 106 Beta-secretase 1 Homo sapiens 1.74 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715808 376220593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488072 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H22FN5O3S/c1-11-8-23-15(9-22-11)16(26)24-12-5-6-14(20)13(7-12)19(4)10-29(27,28)18(2,3)17(21)25-19/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 ZPCAFYZFQQTHRZ-IBGZPJMESA-N 229053 US9556135, 110 Beta-secretase 1 Homo sapiens 20.2 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715813 376220594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488074 Cc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c(C)n1 InChI=1S/C20H24FN5O3S/c1-11-9-23-16(12(2)24-11)17(27)25-13-6-7-15(21)14(8-13)20(5)10-30(28,29)19(3,4)18(22)26-20/h6-9H,10H2,1-5H3,(H2,22,26)(H,25,27)/t20-/m0/s1 QFXRRZXIFOIBTD-FQEVSTJZSA-N 229054 US9556135, 111 Beta-secretase 1 Homo sapiens 18.2 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117884198 376220595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488078 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 InChI=1S/C22H23F3N4O4S/c1-12-8-14(33-20(24)25)10-27-17(12)18(30)28-13-4-5-16(23)15(9-13)21(2)11-34(31,32)22(6-3-7-22)19(26)29-21/h4-5,8-10,20H,3,6-7,11H2,1-2H3,(H2,26,29)(H,28,30)/t21-/m0/s1 NWLKWMIOANRJMJ-NRFANRHFSA-N 229055 US9556135, 121 Beta-secretase 1 Homo sapiens 3.11 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715823 376220596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488080 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C#N InChI=1S/C22H22FN5O3S/c1-13-8-14(10-24)11-26-18(13)19(29)27-15-4-5-17(23)16(9-15)21(2)12-32(30,31)22(6-3-7-22)20(25)28-21/h4-5,8-9,11H,3,6-7,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-/m0/s1 FCAJFEVSAAPDNX-NRFANRHFSA-N 229056 US9556135, 122 Beta-secretase 1 Homo sapiens 0.760 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117884192 376220597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488082 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C(F)F InChI=1S/C22H23F3N4O3S/c1-12-8-13(18(24)25)10-27-17(12)19(30)28-14-4-5-16(23)15(9-14)21(2)11-33(31,32)22(6-3-7-22)20(26)29-21/h4-5,8-10,18H,3,6-7,11H2,1-2H3,(H2,26,29)(H,28,30)/t21-/m0/s1 GBTIXGYLFIAQBU-NRFANRHFSA-N 229057 US9556135, 123 Beta-secretase 1 Homo sapiens 4.57 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715824 376220598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488084 C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H19ClF2N4O3S/c1-19(17(23)31(29,30)20(7-2-8-20)18(24)27-19)13-9-12(4-5-14(13)22)26-16(28)15-6-3-11(21)10-25-15/h3-6,9-10,17H,2,7-8H2,1H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1 AHIGVHHQOKEZTN-PKOBYXMFSA-N 229389 US9556135, 131 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870248 376220599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488086 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F InChI=1S/C22H22F4N4O4S/c1-11-8-13(34-20(25)26)10-28-16(11)17(31)29-12-4-5-15(23)14(9-12)21(2)18(24)35(32,33)22(6-3-7-22)19(27)30-21/h4-5,8-10,18,20H,3,6-7H2,1-2H3,(H2,27,30)(H,29,31)/t18-,21+/m0/s1 VLNSKUPESHNHGD-GHTZIAJQSA-N 229390 US9556135, 132 Beta-secretase 1 Homo sapiens 2.97 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715833 376220600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488088 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)C(F)F InChI=1S/C22H22F4N4O3S/c1-11-8-12(17(24)25)10-28-16(11)18(31)29-13-4-5-15(23)14(9-13)21(2)19(26)34(32,33)22(6-3-7-22)20(27)30-21/h4-5,8-10,17,19H,3,6-7H2,1-2H3,(H2,27,30)(H,29,31)/t19-,21+/m0/s1 JXWDDAQIVXREKO-PZJWPPBQSA-N 229451 US9556135, 136 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715836 376220601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488090 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)C3(CCC3)S(=O)(=O)[C@@H]2F)c(C)c1 InChI=1S/C22H24F2N4O4S/c1-12-9-14(32-3)11-26-17(12)18(29)27-13-5-6-16(23)15(10-13)21(2)19(24)33(30,31)22(7-4-8-22)20(25)28-21/h5-6,9-11,19H,4,7-8H2,1-3H3,(H2,25,28)(H,27,29)/t19-,21+/m0/s1 YHPZIOBDKFXWDX-PZJWPPBQSA-N 229472 US9556135, 137 Beta-secretase 1 Homo sapiens 3.63 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715837 376220602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488092 COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F InChI=1S/C21H21ClF2N4O4S/c1-20(18(24)33(30,31)21(6-3-7-21)19(25)28-20)13-9-12(4-5-14(13)23)27-17(29)16-15(32-2)8-11(22)10-26-16/h4-5,8-10,18H,3,6-7H2,1-2H3,(H2,25,28)(H,27,29)/t18-,20+/m0/s1 LXUKIMSDNGFQGI-AZUAARDMSA-N 229499 US9556135, 139 Beta-secretase 1 Homo sapiens 3.80 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715839 376220603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488094 C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C20H19F4N5O3S/c1-19(17(24)33(31,32)20(5-2-6-20)18(25)29-19)11-7-10(3-4-12(11)21)28-16(30)14-9-26-13(8-27-14)15(22)23/h3-4,7-9,15,17H,2,5-6H2,1H3,(H2,25,29)(H,28,30)/t17-,19+/m0/s1 AONMHFMVNVUCSG-PKOBYXMFSA-N 229500 US9556135, 140 Beta-secretase 1 Homo sapiens 8.80 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715840 376220604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488098 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2c(Cl)sc3cc(cnc23)C#N)ccc1F InChI=1S/C21H19ClFN5O2S2/c1-20(2)19(25)28-21(3,10-32(20,29)30)13-7-12(4-5-14(13)23)27-17-16-15(31-18(17)22)6-11(8-24)9-26-16/h4-7,9,27H,10H2,1-3H3,(H2,25,28)/t21-/m0/s1 YWQKMOGPNKSUQL-NRFANRHFSA-N 229504 US9556135, 167 Beta-secretase 1 Homo sapiens 13.9 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869681 376220605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488100 CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(N)ccc1F InChI=1S/C13H17F2N3O2S/c1-12(2)11(17)18-13(3,10(15)21(12,19)20)8-6-7(16)4-5-9(8)14/h4-6,10H,16H2,1-3H3,(H2,17,18)/t10-,13+/m0/s1 DTWGNXLJROVSFE-GXFFZTMASA-N 229505 US9556135, 164 Beta-secretase 1 Homo sapiens 3720 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715887 376220606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488102 CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,18(24)32(20,30)31)14-9-13(4-5-15(14)23)28-17-16-11(6-7-26-17)8-12(22)10-27-16/h4-10,18H,1-3H3,(H2,25,29)(H,26,28)/t18-,21+/m0/s1 DKWWUJQETSSBOG-GHTZIAJQSA-N 229508 US9556135, 168 Beta-secretase 1 Homo sapiens 0.920 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715889 376220607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488106 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C18H21ClF3N5O2S/c1-17(2)15(23)25-18(3,9-30(17,28)29)11-6-10(4-5-13(11)20)24-7-14-12(19)8-27(26-14)16(21)22/h4-6,8,16,24H,7,9H2,1-3H3,(H2,23,25)/t18-/m0/s1 NNVXUHHPIYPUAZ-SFHVURJKSA-N 229509 US9556135, 107 Beta-secretase 1 Homo sapiens 2.27 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715809 376220608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488108 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NCc2nn(CC(F)(F)F)cc2Cl)ccc1F InChI=1S/C19H22ClF4N5O2S/c1-17(2)16(25)27-18(3,10-32(17,30)31)12-6-11(4-5-14(12)21)26-7-15-13(20)8-29(28-15)9-19(22,23)24/h4-6,8,26H,7,9-10H2,1-3H3,(H2,25,27)/t18-/m0/s1 BYCGRWDQAIQLBC-SFHVURJKSA-N 229510 US9556135, 108 Beta-secretase 1 Homo sapiens 45.2 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715811 376220609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488110 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NCc2c(Cl)cnn2CC(F)(F)F)ccc1F InChI=1S/C19H22ClF4N5O2S/c1-17(2)16(25)28-18(3,10-32(17,30)31)12-6-11(4-5-14(12)21)26-8-15-13(20)7-27-29(15)9-19(22,23)24/h4-7,26H,8-10H2,1-3H3,(H2,25,28)/t18-/m0/s1 RNZSYUYPQWEROT-SFHVURJKSA-N 229511 US9556135, 109 Beta-secretase 1 Homo sapiens 208 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715812 376220610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488112 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)C(=O)Nc1ccc(cc1O)C#N InChI=1S/C21H21FN4O4S/c1-20(2)19(24)26-21(3,11-31(20,29)30)14-9-13(5-6-15(14)22)18(28)25-16-7-4-12(10-23)8-17(16)27/h4-9,27H,11H2,1-3H3,(H2,24,26)(H,25,28)/t21-/m0/s1 AFLCZLQKLWUSJR-NRFANRHFSA-N 229512 US9556135, 173 Beta-secretase 1 Homo sapiens 2290 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715899 376220611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488116 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(OCC(F)F)cnc23)ccc1F InChI=1S/C23H24F3N5O3S/c1-22(2)21(27)31-23(3,12-35(22,32)33)16-9-14(4-5-17(16)24)30-20-19-13(6-7-28-20)8-15(10-29-19)34-11-18(25)26/h4-10,18H,11-12H2,1-3H3,(H2,27,31)(H,28,30)/t23-/m0/s1 WWCLLGGJCZRPHV-QHCPKHFHSA-N 229513 US9556135, 161 Beta-secretase 1 Homo sapiens 14.3 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715877 376220612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488124 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nncc3cc(Br)cnc23)ccc1F InChI=1S/C20H20BrFN6O2S/c1-19(2)18(23)27-20(3,10-31(19,29)30)14-7-13(4-5-15(14)22)26-17-16-11(8-25-28-17)6-12(21)9-24-16/h4-9H,10H2,1-3H3,(H2,23,27)(H,26,28)/t20-/m0/s1 UISLUELHNUWQTH-FQEVSTJZSA-N 229566 US9556135, 162 Beta-secretase 1 Homo sapiens 2.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73671458 376220613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488125 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nncc3cc(Br)cnc23)ccc1F InChI=1S/C20H20BrFN6O2S/c1-19(2)18(23)27-20(3,10-31(19,29)30)14-7-13(4-5-15(14)22)26-17-16-11(8-25-28-17)6-12(21)9-24-16/h4-9H,10H2,1-3H3,(H2,23,27)(H,26,28)/t20-/m0/s1 UISLUELHNUWQTH-FQEVSTJZSA-N 229566 US9556135, 162 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73671458 376220613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488127 C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H18ClF2N5O2S/c1-19(10-31(29,30)20(2,23)18(24)28-19)14-8-13(3-4-15(14)22)27-17-16-11(5-6-25-17)7-12(21)9-26-16/h3-9H,10H2,1-2H3,(H2,24,28)(H,25,27)/t19-,20+/m0/s1 PUPKLJHGAQYUEI-VQTJNVASSA-N 229582 US9556135, 174 Beta-secretase 1 Homo sapiens 0.330 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715900 376220614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488129 C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H17ClF2N6O2S/c1-18(8-31(29,30)19(2,22)17(23)28-18)12-6-11(3-4-13(12)21)27-16-15-14(25-9-26-16)5-10(20)7-24-15/h3-7,9H,8H2,1-2H3,(H2,23,28)(H,25,26,27)/t18-,19+/m0/s1 QLCTXMOGOSGYHT-RBUKOAKNSA-N 229980 US9556135, 175 Beta-secretase 1 Homo sapiens 3.88 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870471 376220615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488131 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(F)C(N)=N3)ncnc2c1 InChI=1S/C20H20F2N6O3S/c1-19(9-32(29,30)20(2,22)18(23)28-19)13-6-11(4-5-14(13)21)27-17-16-15(25-10-26-17)7-12(31-3)8-24-16/h4-8,10H,9H2,1-3H3,(H2,23,28)(H,25,26,27)/t19-,20+/m0/s1 DYKMPQOLZUUJCU-VQTJNVASSA-N 229981 US9556135, 177 Beta-secretase 1 Homo sapiens 2.68 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669146 376220616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488133 C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F InChI=1S/C20H17F2N7O2S/c1-19(9-32(30,31)20(2,22)18(24)29-19)13-6-12(3-4-14(13)21)28-17-16-15(26-10-27-17)5-11(7-23)8-25-16/h3-6,8,10H,9H2,1-2H3,(H2,24,29)(H,26,27,28)/t19-,20+/m0/s1 WPCLUBBPEIMAEU-VQTJNVASSA-N 229982 US9556135, 180 Beta-secretase 1 Homo sapiens 1.10 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715904 376220617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488153 CC1(C)C(N)=N[C@]2(C[C@H]2S1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C21H19ClFN5O2S/c1-20(2)19(24)28-21(9-16(21)31(20,29)30)14-8-13(3-4-15(14)23)27-18-17-11(5-6-25-18)7-12(22)10-26-17/h3-8,10,16H,9H2,1-2H3,(H2,24,28)(H,25,27)/t16-,21-/m1/s1 ZRXYVXDSMKZFAM-IIBYNOLFSA-N 229984 US9556135, 183 Beta-secretase 1 Homo sapiens 3.05 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715911 376220618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488155 Cc1c(CNc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)nc2ccc(Cl)cn12 InChI=1S/C22H25ClFN5O2S/c1-13-18(27-19-8-5-14(23)11-29(13)19)10-26-15-6-7-17(24)16(9-15)22(4)12-32(30,31)21(2,3)20(25)28-22/h5-9,11,26H,10,12H2,1-4H3,(H2,25,28)/t22-/m0/s1 WUOCCTDFBZVOJZ-QFIPXVFZSA-N 229985 US9556135, 152 Beta-secretase 1 Homo sapiens 2940 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715859 376220619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488157 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cc1 InChI=1S/C20H21ClFN3O3S/c1-19(2)18(23)25-20(3,11-29(19,27)28)15-10-12(4-9-16(15)22)17(26)24-14-7-5-13(21)6-8-14/h4-10H,11H2,1-3H3,(H2,23,25)(H,24,26)/t20-/m0/s1 GPMHJBFQZHRDBP-FQEVSTJZSA-N 229986 US9556135, 153 Beta-secretase 1 Homo sapiens 4680 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715865 376220620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488159 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cccc(Br)c1 InChI=1S/C14H17BrN2O2S/c1-13(10-4-2-5-11(15)8-10)9-20(18,19)14(6-3-7-14)12(16)17-13/h2,4-5,8H,3,6-7,9H2,1H3,(H2,16,17)/t13-/m0/s1 GTCYTRFEGKKVMJ-ZDUSSCGKSA-N 229987 US9556135, 154 Beta-secretase 1 Homo sapiens 6060 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715867 376220621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488161 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)CS(=O)(=O)C(C)(C)C(N)=N2)c(OC)n1 InChI=1S/C20H23F2N5O5S/c1-19(2)18(23)27-20(9-21,10-33(19,29)30)12-7-11(5-6-13(12)22)25-16(28)15-17(32-4)26-14(31-3)8-24-15/h5-8H,9-10H2,1-4H3,(H2,23,27)(H,25,28)/t20-/m0/s1 WLCPZZQNGUUBFN-FQEVSTJZSA-N 229988 US9556135, 155 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715869 376220622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488163 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C22H25F2N5O4S/c1-21(2)20(25)29-22(11-23,12-34(21,31)32)15-7-14(5-6-16(15)24)28-19(30)17-8-27-18(9-26-17)33-10-13-3-4-13/h5-9,13H,3-4,10-12H2,1-2H3,(H2,25,29)(H,28,30)/t22-/m0/s1 PMGIWZUHKJEQBF-QFIPXVFZSA-N 229989 US9556135, 156 Beta-secretase 1 Homo sapiens 0.500 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715872 376220623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488165 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C22H19F3N6O2S/c1-21(2)20(26)31-22(10-23,11-34(21,32)33)15-7-12(4-5-16(15)24)30-19-18-14(17(25)9-29-19)6-13(27-3)8-28-18/h4-9H,10-11H2,1-2H3,(H2,26,31)(H,29,30)/t22-/m0/s1 NHKCRUPPNKXUDV-QFIPXVFZSA-N 229990 US9556135, 157 Beta-secretase 1 Homo sapiens 0.560 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134822683 376220624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488167 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H22ClF2N5O3S/c1-12-18(28-17-7-4-13(23)9-30(12)17)19(31)27-14-5-6-16(25)15(8-14)22(10-24)11-34(32,33)21(2,3)20(26)29-22/h4-9H,10-11H2,1-3H3,(H2,26,29)(H,27,31)/t22-/m0/s1 WUZKSYMVLBIGGM-QFIPXVFZSA-N 229991 US9556135, 158 Beta-secretase 1 Homo sapiens 3.03 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715875 376220625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488169 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)CS(=O)(=O)C(C)(C)C(N)=N3)ncc(F)c2c1 InChI=1S/C22H22F3N5O3S/c1-21(2)20(26)30-22(10-23,11-34(21,31)32)15-6-12(4-5-16(15)24)29-19-18-14(17(25)9-28-19)7-13(33-3)8-27-18/h4-9H,10-11H2,1-3H3,(H2,26,30)(H,28,29)/t22-/m0/s1 CGRNTTZUEFAJIQ-QFIPXVFZSA-N 229992 US9556135, 159 Beta-secretase 1 Homo sapiens 0.550 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73671623 376220626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488187 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Sc2ccccn2)ccc1F InChI=1S/C18H20FN3O2S2/c1-17(2)16(20)22-18(3,11-26(17,23)24)13-10-12(7-8-14(13)19)25-15-6-4-5-9-21-15/h4-10H,11H2,1-3H3,(H2,20,22)/t18-/m0/s1 JZTWOZKJEIIJQZ-SFHVURJKSA-N 229993 US9556135, 163 Beta-secretase 1 Homo sapiens 3250 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715883 376220627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488203 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(OCC4CC4)cnc23)ccc1F InChI=1S/C24H27FN6O3S/c1-23(2)22(26)31-24(3,12-35(23,32)33)17-8-15(6-7-18(17)25)30-21-20-19(28-13-29-21)9-16(10-27-20)34-11-14-4-5-14/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,26,31)(H,28,29,30)/t24-/m0/s1 AQKBNJGDNOKVKN-DEOSSOPVSA-N 229994 US9556135, 104 Beta-secretase 1 Homo sapiens 1.54 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715785 376220628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488215 Cc1cc(OCCF)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H25F3N4O4S/c1-13-8-15(33-7-6-23)10-27-18(13)19(30)28-14-4-5-17(25)16(9-14)22(11-24)12-34(31,32)21(2,3)20(26)29-22/h4-5,8-10H,6-7,11-12H2,1-3H3,(H2,26,29)(H,28,30)/t22-/m0/s1 ZVXDDTFGVIKAOF-QFIPXVFZSA-N 229996 US9556135, 149 Beta-secretase 1 Homo sapiens 2.71 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715852 376220629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488217 Cc1cc(OC2COC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H26F2N4O5S/c1-13-6-15(34-16-9-33-10-16)8-27-19(13)20(30)28-14-4-5-18(25)17(7-14)23(11-24)12-35(31,32)22(2,3)21(26)29-23/h4-8,16H,9-12H2,1-3H3,(H2,26,29)(H,28,30)/t23-/m0/s1 YXIOIUVAJDYVMY-QHCPKHFHSA-N 229997 US9556135, 150 Beta-secretase 1 Homo sapiens 44.5 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715855 376220630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488219 Cc1nc(F)c(cc1Br)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C13H17BrFN3O2S/c1-7-9(14)5-8(10(15)17-7)13(4)6-21(19,20)12(2,3)11(16)18-13/h5H,6H2,1-4H3,(H2,16,18)/t13-/m0/s1 NPDBAZCFJFOQCI-ZDUSSCGKSA-N 229998 US9556135, 184 Beta-secretase 1 Homo sapiens 8110 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869616 376220631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488221 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(C#C[Si](C)(C)C)c3cc(Cl)cnc23)ccc1F InChI=1S/C26H29ClFN5O2SSi/c1-25(2)24(29)33-26(3,15-36(25,34)35)20-12-18(7-8-21(20)28)32-23-22-19(11-17(27)14-30-22)16(13-31-23)9-10-37(4,5)6/h7-8,11-14H,15H2,1-6H3,(H2,29,33)(H,31,32)/t26-/m0/s1 VWVMZMPBDKXPAQ-SANMLTNESA-N 229999 US9556135, 189 Beta-secretase 1 Homo sapiens 6.80 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=229999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=229999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715929 376220632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488223 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Br)c3cc(Cl)cnc23)ccc1F InChI=1S/C21H20BrClFN5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-16(14)24)28-18-17-13(15(22)9-27-18)6-11(23)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1 GQRMAQJIJHVHCU-NRFANRHFSA-N 230000 US9556135, 188 Beta-secretase 1 Homo sapiens 0.830 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715928 376220633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488225 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Cl)c3cc(Cl)cnc23)ccc1F InChI=1S/C21H20Cl2FN5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-16(14)24)28-18-17-13(15(23)9-27-18)6-11(22)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1 WSNGUTIKROPSFW-NRFANRHFSA-N 230001 US9556135, 192 Beta-secretase 1 Homo sapiens 0.700 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715936 376220634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488227 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(C#C)c3cc(Cl)cnc23)ccc1F InChI=1S/C23H21ClFN5O2S/c1-5-13-10-28-20(19-16(13)8-14(24)11-27-19)29-15-6-7-18(25)17(9-15)23(4)12-33(31,32)22(2,3)21(26)30-23/h1,6-11H,12H2,2-4H3,(H2,26,30)(H,28,29)/t23-/m0/s1 YRKSHDWEEZASJD-QHCPKHFHSA-N 230002 US9556135, 190 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715930 376220635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488229 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(CO)c3cc(Cl)cnc23)ccc1F InChI=1S/C22H23ClFN5O3S/c1-21(2)20(25)29-22(3,11-33(21,31)32)16-7-14(4-5-17(16)24)28-19-18-15(6-13(23)9-26-18)12(10-30)8-27-19/h4-9,30H,10-11H2,1-3H3,(H2,25,29)(H,27,28)/t22-/m0/s1 NXLWXVFLRRTCTG-QFIPXVFZSA-N 230003 US9556135, 191 Beta-secretase 1 Homo sapiens 4.47 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715933 376220636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488231 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C20H21ClFN3O3S/c1-19(2)18(23)25-20(3,11-29(19,27)28)15-10-14(8-9-16(15)22)24-17(26)12-4-6-13(21)7-5-12/h4-10H,11H2,1-3H3,(H2,23,25)(H,24,26)/t20-/m0/s1 NTOUGJLSZMJNRG-FQEVSTJZSA-N 230004 US9556135, 212 Beta-secretase 1 Homo sapiens 10.2 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562669 376220637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488233 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2F)ccc1F InChI=1S/C20H20ClF2N3O3S/c1-19(2)18(24)26-20(3,10-30(19,28)29)14-9-12(5-7-15(14)22)25-17(27)13-6-4-11(21)8-16(13)23/h4-9H,10H2,1-3H3,(H2,24,26)(H,25,27)/t20-/m0/s1 FIUKVVRPTUGAEA-FQEVSTJZSA-N 230005 US9556135, 213 Beta-secretase 1 Homo sapiens 12.3 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869917 376220638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488235 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)N2CCC=CC2)ccc1F InChI=1S/C19H25FN4O3S/c1-18(2)16(21)23-19(3,12-28(18,26)27)14-11-13(7-8-15(14)20)22-17(25)24-9-5-4-6-10-24/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H2,21,23)(H,22,25)/t19-/m0/s1 VFKFPWKBDXZDTL-IBGZPJMESA-N 230006 US9556135, 160 Beta-secretase 1 Homo sapiens 575 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870548 376220639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488239 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Br)c[nH]c1=O 230007 US9556135, 169 Beta-secretase 1 Homo sapiens 21100 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134822684 376220640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488241 COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H22ClN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)13-7-12(9-23-16(13)29-4)24-15(26)14-6-5-11(20)8-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 SKKJSYAOMMCVPJ-IBGZPJMESA-N 230008 US9556135, 170 Beta-secretase 1 Homo sapiens 22.5 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869335 376220641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488245 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(c(=O)n(C)c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C21H25F2N5O5S/c1-11-6-13(33-19(22)23)8-25-15(11)16(29)26-12-7-14(17(30)28(5)9-12)21(4)10-34(31,32)20(2,3)18(24)27-21/h6-9,19H,10H2,1-5H3,(H2,24,27)(H,26,29)/t21-/m0/s1 AGNHNLMQMVREAH-NRFANRHFSA-N 230009 US9556135, 171 Beta-secretase 1 Homo sapiens 9.27 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869650 376220642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488249 C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F InChI=1S/C20H17ClF3N5O2S/c1-19(9-32(30,31)20(2,24)18(25)29-19)13-6-11(3-4-14(13)22)28-17-16-12(15(23)8-27-17)5-10(21)7-26-16/h3-8H,9H2,1-2H3,(H2,25,29)(H,27,28)/t19-,20+/m0/s1 XBPCDYOAQXDGTK-VQTJNVASSA-N 230011 US9556135, 178 Beta-secretase 1 Homo sapiens 0.380 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870507 376220643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488251 C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C21H17F3N6O2S/c1-20(10-33(31,32)21(2,24)19(26)30-20)14-6-12(3-4-15(14)22)29-18-17-13(16(23)9-28-18)5-11(7-25)8-27-17/h3-6,8-9H,10H2,1-2H3,(H2,26,30)(H,28,29)/t20-,21+/m0/s1 ZFPMCSWQYHOKDP-LEWJYISDSA-N 230012 US9556135, 179 Beta-secretase 1 Homo sapiens 0.800 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870365 376220644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488257 C[C@]1(CS(=O)(=O)C2(CC2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 PFXZPNOPENCWPS-SFHVURJKSA-N 230013 US9556135, 199 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71531923 376220645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488259 CC(C)(C)S(=O)N[C@@](C)(CS(=O)(=O)C1(CC1)C#N)c1cc(Br)cnc1F InChI=1S/C16H21BrFN3O3S2/c1-14(2,3)25(22)21-15(4,12-7-11(17)8-20-13(12)18)10-26(23,24)16(9-19)5-6-16/h7-8,21H,5-6,10H2,1-4H3/t15-,25?/m0/s1 MTLOEYIZRZLACA-JMTKMGNOSA-N 230014 US9556135, 186 Beta-secretase 1 Homo sapiens 2.40 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715918 376220646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488261 C[C@]1(CS(=O)(=O)C2(CCOC2)C(N)=N1)c1cc(Br)ccc1F InChI=1S/C14H16BrFN2O3S/c1-13(10-6-9(15)2-3-11(10)16)8-22(19,20)14(12(17)18-13)4-5-21-7-14/h2-3,6H,4-5,7-8H2,1H3,(H2,17,18)/t13-,14?/m0/s1 BTMBZGLBDZUKFW-LSLKUGRBSA-N 230015 US9556135, 181 Beta-secretase 1 Homo sapiens 16300 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117868984 376220647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488263 C[C@]1(CS(=O)(=O)C2(CCOC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C22H21ClFN5O3S/c1-21(12-33(30,31)22(20(25)29-21)5-7-32-11-22)16-9-15(2-3-17(16)24)28-19-18-13(4-6-26-19)8-14(23)10-27-18/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29)(H,26,28)/t21-,22?/m0/s1 HCCLBAOQBAWWLH-HMTLIYDFSA-N 230016 US9556135, 182 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715905 376220648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488265 C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF2N4O3S/c1-18(16(22)30(28,29)19(6-7-19)17(23)26-18)12-8-11(3-4-13(12)21)25-15(27)14-5-2-10(20)9-24-14/h2-5,8-9,16H,6-7H2,1H3,(H2,23,26)(H,25,27)/t16-,18+/m0/s1 PJSHPTRQHVPEPY-FUHWJXTLSA-N 230017 US9556135, 200 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869615 376220649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488267 C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF2N4O3S/c1-18(16(22)30(28,29)19(6-7-19)17(23)26-18)12-8-11(3-4-13(12)21)25-15(27)14-5-2-10(20)9-24-14/h2-5,8-9,16H,6-7H2,1H3,(H2,23,26)(H,25,27)/t16-,18-/m1/s1 PJSHPTRQHVPEPY-SJLPKXTDSA-N 230018 US9556135, 201 Beta-secretase 1 Homo sapiens 0.620 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869663 376220650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488269 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F InChI=1S/C21H20F4N4O4S/c1-10-7-12(33-19(24)25)9-27-15(10)16(30)28-11-3-4-14(22)13(8-11)20(2)17(23)34(31,32)21(5-6-21)18(26)29-20/h3-4,7-9,17,19H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t17-,20+/m0/s1 WBZVEMSHCJGUDR-FXAWDEMLSA-N 230019 US9556135, 202 Beta-secretase 1 Homo sapiens 1.50 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869380 376220651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488271 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F InChI=1S/C21H20F4N4O4S/c1-10-7-12(33-19(24)25)9-27-15(10)16(30)28-11-3-4-14(22)13(8-11)20(2)17(23)34(31,32)21(5-6-21)18(26)29-20/h3-4,7-9,17,19H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t17-,20-/m1/s1 WBZVEMSHCJGUDR-YLJYHZDGSA-N 230020 US9556135, 203 Beta-secretase 1 Homo sapiens 0.480 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869604 376220652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488273 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)C(F)F InChI=1S/C21H20F4N4O3S/c1-10-7-11(16(23)24)9-27-15(10)17(30)28-12-3-4-14(22)13(8-12)20(2)18(25)33(31,32)21(5-6-21)19(26)29-20/h3-4,7-9,16,18H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t18-,20+/m0/s1 MVBXQCNEACOSKV-AZUAARDMSA-N 230021 US9556135, 206 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869570 376220653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488275 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)C(F)F InChI=1S/C21H20F4N4O3S/c1-10-7-11(16(23)24)9-27-15(10)17(30)28-12-3-4-14(22)13(8-12)20(2)18(25)33(31,32)21(5-6-21)19(26)29-20/h3-4,7-9,16,18H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t18-,20-/m1/s1 MVBXQCNEACOSKV-UYAOXDASSA-N 230022 US9556135, 207 Beta-secretase 1 Homo sapiens 0.920 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869711 376220654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488277 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)C4(CC4)S(=O)(=O)[C@@H]3F)nccc2n1 InChI=1S/C21H20F2N6O3S/c1-20(18(23)33(30,31)21(6-7-21)19(24)29-20)12-9-11(3-4-13(12)22)27-17-16-14(5-8-25-17)28-15(32-2)10-26-16/h3-5,8-10,18H,6-7H2,1-2H3,(H2,24,29)(H,25,27)/t18-,20+/m0/s1 ISOALTVRHNZJGS-AZUAARDMSA-N 230023 US9556135, 209 Beta-secretase 1 Homo sapiens 8.50 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869414 376220655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488279 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)C4(CC4)S(=O)(=O)[C@H]3F)nccc2n1 InChI=1S/C21H20F2N6O3S/c1-20(18(23)33(30,31)21(6-7-21)19(24)29-20)12-9-11(3-4-13(12)22)27-17-16-14(5-8-25-17)28-15(32-2)10-26-16/h3-5,8-10,18H,6-7H2,1-2H3,(H2,24,29)(H,25,27)/t18-,20-/m1/s1 ISOALTVRHNZJGS-UYAOXDASSA-N 230024 US9556135, 208 Beta-secretase 1 Homo sapiens <2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73671457 376220656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488287 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(9-21,10-30(18,28)29)13-7-12(4-5-14(13)22)25-16(27)15-6-3-11(20)8-24-15/h3-8H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t19-/m0/s1 ZIZZFUSKMYDZFQ-IBGZPJMESA-N 230025 US9556135, 193 Beta-secretase 1 Homo sapiens 0.760 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715937 376220657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488289 NC1=N[C@](CF)(CS(=O)(=O)C11CC1)c1cc(Br)ccc1F InChI=1S/C13H13BrF2N2O2S/c14-8-1-2-10(16)9(5-8)12(6-15)7-21(19,20)13(3-4-13)11(17)18-12/h1-2,5H,3-4,6-7H2,(H2,17,18)/t12-/m1/s1 HASZGPPRQBDQIB-GFCCVEGCSA-N 230026 US9556135, 214a Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715954 376220658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488293 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 InChI=1S/C20H19ClF2N4O3S/c1-11-6-12(21)8-25-16(11)17(28)26-13-2-3-15(23)14(7-13)19(9-22)10-31(29,30)20(4-5-20)18(24)27-19/h2-3,6-8H,4-5,9-10H2,1H3,(H2,24,27)(H,26,28)/t19-/m1/s1 HIOAMQKHKQDBLK-LJQANCHMSA-N 230027 US9556135, 215 Beta-secretase 1 Homo sapiens 212 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86715956 376220659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488295 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 InChI=1S/C20H19ClF2N4O3S/c1-11-6-12(21)8-25-16(11)17(28)26-13-2-3-15(23)14(7-13)19(9-22)10-31(29,30)20(4-5-20)18(24)27-19/h2-3,6-8H,4-5,9-10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 HIOAMQKHKQDBLK-IBGZPJMESA-N 230028 US9556135, 216 Beta-secretase 1 Homo sapiens 0.540 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869390 376220660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488297 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 InChI=1S/C21H20F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-2-3-15(23)14(7-12)20(9-22)10-34(31,32)21(4-5-21)18(26)29-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,26,29)(H,28,30)/t20-/m0/s1 LBGDDVHLKDWVLV-FQEVSTJZSA-N 230029 US9556135, 217 Beta-secretase 1 Homo sapiens 1.20 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870011 376220661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488299 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 InChI=1S/C21H20F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-2-3-15(23)14(7-12)20(9-22)10-34(31,32)21(4-5-21)18(26)29-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,26,29)(H,28,30)/t20-/m1/s1 LBGDDVHLKDWVLV-HXUWFJFHSA-N 230030 US9556135, 218 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869668 376220662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488301 NC1=N[C@@](CF)(CS(=O)(=O)C11CCC1)c1cc(Br)ccc1F InChI=1S/C14H15BrF2N2O2S/c15-9-2-3-11(17)10(6-9)13(7-16)8-22(20,21)14(4-1-5-14)12(18)19-13/h2-3,6H,1,4-5,7-8H2,(H2,18,19)/t13-/m0/s1 JIQOMEZTLUIJJJ-ZDUSSCGKSA-N 230031 US9556135, 172 Beta-secretase 1 Homo sapiens 3560 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869692 376220663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488309 CC1(C)C(N)=N[C@](C)(c2cc(Br)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C15H18BrFN2O2S/c1-13(2)12(18)19-14(3,15(6-7-15)22(13,20)21)10-8-9(16)4-5-11(10)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19)/t14-/m1/s1 QQQYRABKMPHPEW-CQSZACIVSA-N 230032 US9556135, 187 Beta-secretase 1 Homo sapiens 30700 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117881621 376220664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488311 CO[C@H]1C[C@]2(C1)C(N)=N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2C)ccc1F InChI=1S/C22H24ClFN4O4S/c1-12-6-13(23)10-26-18(12)19(29)27-14-4-5-17(24)16(7-14)21(2)11-33(30,31)22(20(25)28-21)8-15(9-22)32-3/h4-7,10,15H,8-9,11H2,1-3H3,(H2,25,28)(H,27,29)/t15-,21-,22-/m0/s1 BAJOCVYOAOMRLZ-RXYZOABWSA-N 230033 US9556135, 460 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117873113 376220665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488313 CO[C@H]1C[C@]2(C1)C(N)=N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(OC)cc2C)ccc1F InChI=1S/C23H27FN4O5S/c1-13-7-15(32-3)11-26-19(13)20(29)27-14-5-6-18(24)17(8-14)22(2)12-34(30,31)23(21(25)28-22)9-16(10-23)33-4/h5-8,11,16H,9-10,12H2,1-4H3,(H2,25,28)(H,27,29)/t16-,22-,23-/m0/s1 BXFOZGAERDRZHZ-GMWOSMDTSA-N 230034 US9556135, 461 Beta-secretase 1 Homo sapiens 15.7 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117872161 376220666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488317 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)[C@@]3(C[C@H](F)C3)C(N)=N2)c(C)c1 InChI=1S/C22H24F2N4O4S/c1-12-6-15(32-3)10-26-18(12)19(29)27-14-4-5-17(24)16(7-14)21(2)11-33(30,31)22(20(25)28-21)8-13(23)9-22/h4-7,10,13H,8-9,11H2,1-3H3,(H2,25,28)(H,27,29)/t13-,21-,22+/m0/s1 CXJJJAHUELECCL-QVXRUGPVSA-N 230035 US9556135, 463 Beta-secretase 1 Homo sapiens 4.60 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117873082 376220667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 488319 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1 InChI=1S/C23H22ClF2N5O3S/c1-12-19(29-18-6-3-13(24)10-31(12)18)20(32)28-15-4-5-17(26)16(7-15)22(2)11-35(33,34)23(21(27)30-22)8-14(25)9-23/h3-7,10,14H,8-9,11H2,1-2H3,(H2,27,30)(H,28,32)/t14-,22-,23+/m0/s1 OCWYQNWQJVJWRS-AETJINEWSA-N 230036 US9556135, 464 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118374934 376220668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486199 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H19F2N3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-4-3-9(17)5-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1 ZSTDDUYXLHRAMA-RSAASHCRSA-N 227968 US10047098, 1 Beta-secretase 1 Homo sapiens 629 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331641 374884908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486201 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F InChI=1S/C22H21F2N5O4/c1-29-20(30)15-6-13(10-31-2)32-11-22(15,28-21(29)26)14-7-18(17(24)8-16(14)23)33-19-5-12(9-25)3-4-27-19/h3-5,7-8,13,15H,6,10-11H2,1-2H3,(H2,26,28)/t13-,15+,22-/m1/s1 AHGJFIJKACDGHF-QOAZOABKSA-N 227969 US10047098, 2 Beta-secretase 1 Homo sapiens 3.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473737 374884909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486203 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F InChI=1S/C21H21F3N4O4/c1-28-19(29)13-6-11(9-30-2)31-10-21(13,27-20(28)25)12-7-17(16(24)8-15(12)23)32-18-14(22)4-3-5-26-18/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H2,25,27)/t11-,13+,21-/m1/s1 DPUFKFOVJMFSFY-FKQSZABXSA-N 227970 US10047098, 3 Beta-secretase 1 Homo sapiens 1.000 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331666 374884910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486205 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(OC)ccn2)c(F)cc1F InChI=1S/C22H24F2N4O5/c1-28-20(29)15-6-13(10-30-2)32-11-22(15,27-21(28)25)14-8-18(17(24)9-16(14)23)33-19-7-12(31-3)4-5-26-19/h4-5,7-9,13,15H,6,10-11H2,1-3H3,(H2,25,27)/t13-,15+,22-/m1/s1 VEFPFUWXGCRWJT-QOAZOABKSA-N 227971 US10047098, 4 Beta-secretase 1 Homo sapiens 20.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473695 374884911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486207 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)c(F)cc1F InChI=1S/C20H25F2N3O4/c1-25-18(26)14-5-12(9-27-2)29-10-20(14,24-19(25)23)13-6-17(16(22)7-15(13)21)28-8-11-3-4-11/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H2,23,24)/t12-,14+,20-/m1/s1 RBLJMOCKZFVTAA-TUXXCZFBSA-N 227972 US10047098, 5 Beta-secretase 1 Homo sapiens 68.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473675 374884912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486209 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1ccc(F)cc1F InChI=1S/C17H19F2N3O2/c1-22-15(23)12-7-14(9-2-3-9)24-8-17(12,21-16(22)20)11-5-4-10(18)6-13(11)19/h4-6,9,12,14H,2-3,7-8H2,1H3,(H2,20,21)/t12-,14+,17+/m0/s1 WORKKXMFZKXEBZ-DXCKQFNASA-N 227974 US10047098, 6 Beta-secretase 1 Homo sapiens 99.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473676 374884914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486211 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1ccc(F)cc1F InChI=1S/C15H15F4N3O2/c1-22-13(23)9-5-11(12(18)19)24-6-15(9,21-14(22)20)8-3-2-7(16)4-10(8)17/h2-4,9,11-12H,5-6H2,1H3,(H2,20,21)/t9-,11+,15+/m0/s1 KLDYYVMZIHWOGO-ZVWUFJHRSA-N 227975 US10047098, 7 Beta-secretase 1 Homo sapiens 312 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473589 374884915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486213 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1cc(C)no1)c1cc(F)ccc1F InChI=1S/C18H18F2N4O3/c1-9-5-15(27-23-9)14-7-12-16(25)24(2)17(21)22-18(12,8-26-14)11-6-10(19)3-4-13(11)20/h3-6,12,14H,7-8H2,1-2H3,(H2,21,22)/t12-,14+,18+/m0/s1 YSCBUXLXXGLHGV-WPKBUWHJSA-N 227976 US10047098, 8 Beta-secretase 1 Homo sapiens 131 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473590 374884916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486215 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F InChI=1S/C21H19F2N5O3/c1-11-5-14-19(29)28(2)20(25)27-21(14,10-30-11)13-7-17(16(23)8-15(13)22)31-18-6-12(9-24)3-4-26-18/h3-4,6-8,11,14H,5,10H2,1-2H3,(H2,25,27)/t11-,14-,21+/m0/s1 PWNMHRVQZBYILN-YLTSQODRSA-N 227977 US10047098, 9 Beta-secretase 1 Homo sapiens 2.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473586 374884917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486217 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F InChI=1S/C20H19F3N4O3/c1-10-6-12-18(28)27(2)19(24)26-20(12,9-29-10)11-7-16(15(23)8-14(11)22)30-17-13(21)4-3-5-25-17/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,24,26)/t10-,12-,20+/m0/s1 URORKUMOZRGJRM-GXUQNELRSA-N 227978 US10047098, 10 Beta-secretase 1 Homo sapiens 4.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331809 374884918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486219 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C15H17F2N3O2/c1-8-5-11-13(21)20(2)14(18)19-15(11,7-22-8)10-4-3-9(16)6-12(10)17/h3-4,6,8,11H,5,7H2,1-2H3,(H2,18,19)/t8-,11-,15+/m0/s1 SFPZMGVJWZNXQD-PEGZWESCSA-N 227979 US10047098, 11 Beta-secretase 1 Homo sapiens 110 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473581 374884919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486221 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F InChI=1S/C15H17BrFN3O2/c1-8-5-11-13(21)20(2)14(18)19-15(11,7-22-8)10-6-9(16)3-4-12(10)17/h3-4,6,8,11H,5,7H2,1-2H3,(H2,18,19)/t8-,11-,15+/m0/s1 LKCAELLRAREUBA-PEGZWESCSA-N 227980 US10047098, 12 Beta-secretase 1 Homo sapiens 562 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473735 374884920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486223 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ncn2)-n2cccn2)ccc1F InChI=1S/C24H24FN7O3/c1-31-22(33)17-10-19(14-3-4-14)34-12-24(17,30-23(31)26)16-9-15(5-6-18(16)25)35-21-11-20(27-13-28-21)32-8-2-7-29-32/h2,5-9,11,13-14,17,19H,3-4,10,12H2,1H3,(H2,26,30)/t17-,19+,24+/m0/s1 FLICNROLCQURSA-RGZWJVDOSA-N 227981 US10047098, 13 Beta-secretase 1 Homo sapiens 52.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473729 374884921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486225 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C23H22FN5O3/c1-29-21(30)17-10-19(14-2-3-14)31-12-23(17,28-22(29)26)16-9-15(4-5-18(16)24)32-20-8-13(11-25)6-7-27-20/h4-9,14,17,19H,2-3,10,12H2,1H3,(H2,26,28)/t17-,19+,23+/m0/s1 RMQDVPITFBMMSZ-GEQKSPFYSA-N 227982 US10047098, 14 Beta-secretase 1 Homo sapiens 2.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473731 374884922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486227 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C22H22F2N4O3/c1-28-20(29)15-10-18(12-4-5-12)30-11-22(15,27-21(28)25)14-9-13(6-7-16(14)23)31-19-17(24)3-2-8-26-19/h2-3,6-9,12,15,18H,4-5,10-11H2,1H3,(H2,25,27)/t15-,18+,22+/m0/s1 LJECMCKNCBEXLI-QXATTWAWSA-N 227983 US10047098, 15 Beta-secretase 1 Homo sapiens 2.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331345 374884923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486229 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)-n2cncn2)ccc1F InChI=1S/C24H24FN7O3/c1-31-22(33)18-10-20(14-2-3-14)34-11-24(18,30-23(31)26)17-8-15(4-5-19(17)25)35-16-6-7-28-21(9-16)32-13-27-12-29-32/h4-9,12-14,18,20H,2-3,10-11H2,1H3,(H2,26,30)/t18-,20+,24+/m0/s1 QOKJSKLGOKNOFU-MFSJNOQSSA-N 227984 US10047098, 16 Beta-secretase 1 Homo sapiens 43.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473730 374884924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487492 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)CC(N)=N1 InChI=1S/C17H18FN5O4S/c1-17(9-28(25,26)8-14(19)23-17)11-5-10(3-4-12(11)18)22-16(24)13-6-21-15(27-2)7-20-13/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 VABUCLWUOFWUDO-KRWDZBQOSA-N 228391 US9556135, 28 Beta-secretase 1 Homo sapiens 14.9 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669310 376220534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487494 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4O3S/c1-17(9-27(25,26)8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 BERFIAGDNHYWRI-KRWDZBQOSA-N 209915 US9273042, 3::US9556135, 29 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72548199 328082890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487496 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)CC(N)=N3)nccc2c1 InChI=1S/C20H20FN5O3S/c1-20(11-30(27,28)10-17(22)26-20)15-8-13(3-4-16(15)21)25-19-18-12(5-6-23-19)7-14(29-2)9-24-18/h3-9H,10-11H2,1-2H3,(H2,22,26)(H,23,25)/t20-/m0/s1 YLAKICNJYVJNSW-FQEVSTJZSA-N 228393 US9556135, 56 Beta-secretase 1 Homo sapiens 62.7 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670145 376220536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486231 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(C)n2)ccc1F InChI=1S/C22H24FN5O3/c1-12-9-25-10-19(26-12)31-14-5-6-17(23)15(7-14)22-11-30-18(13-3-4-13)8-16(22)20(29)28(2)21(24)27-22/h5-7,9-10,13,16,18H,3-4,8,11H2,1-2H3,(H2,24,27)/t16-,18+,22+/m0/s1 OUMDSJCHVFFIET-AQOAWAETSA-N 227985 US10047098, 17 Beta-secretase 1 Homo sapiens 12.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473740 374884925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486233 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C22H21F3N4O3/c1-29-20(30)15-8-18(11-2-3-11)31-10-22(15,28-21(29)26)14-7-13(4-5-16(14)24)32-19-17(25)6-12(23)9-27-19/h4-7,9,11,15,18H,2-3,8,10H2,1H3,(H2,26,28)/t15-,18+,22+/m0/s1 AMGVHZXWRAGKDW-QXATTWAWSA-N 227986 US10047098, 18 Beta-secretase 1 Homo sapiens 11.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473741 374884926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486235 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C20H20F2N4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-15(13)21)29-17-16(22)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1 GDTFUUSWOQATGB-UHBVIIIMSA-N 227987 US10047098, 19 Beta-secretase 1 Homo sapiens 7.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473742 374884927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486237 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)C(F)F)ccc1F InChI=1S/C23H23F3N4O3/c1-30-21(31)16-10-19(12-2-3-12)32-11-23(16,29-22(30)27)15-8-13(4-5-17(15)24)33-14-6-7-28-18(9-14)20(25)26/h4-9,12,16,19-20H,2-3,10-11H2,1H3,(H2,27,29)/t16-,19+,23+/m0/s1 LAJAZVRVPIQBGI-XKDCRVNJSA-N 227988 US10047098, 20 Beta-secretase 1 Homo sapiens 60.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473743 374884928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486239 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C21H20FN5O3/c1-12-7-16-19(28)27(2)20(24)26-21(16,11-29-12)15-9-14(3-4-17(15)22)30-18-8-13(10-23)5-6-25-18/h3-6,8-9,12,16H,7,11H2,1-2H3,(H2,24,26)/t12-,16-,21+/m0/s1 SJELKKVCITZMQX-LBJGKRIESA-N 227989 US10047098, 21 Beta-secretase 1 Homo sapiens 6.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473738 374884929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486241 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(C)n2)ccc1F InChI=1S/C22H24FN5O3/c1-12-25-8-7-19(26-12)31-14-5-6-17(23)15(9-14)22-11-30-18(13-3-4-13)10-16(22)20(29)28(2)21(24)27-22/h5-9,13,16,18H,3-4,10-11H2,1-2H3,(H2,24,27)/t16-,18+,22+/m0/s1 JVIROZAKFRONKD-AQOAWAETSA-N 227990 US10047098, 22 Beta-secretase 1 Homo sapiens 57.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473745 374884930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486243 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1 XHTUJRHTDXVYCK-SGJUXQJHSA-N 227991 US10047098, 23::US10047098, 92 Beta-secretase 1 Homo sapiens 13.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473434 374884931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486245 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2)ccc1F InChI=1S/C21H26FN3O3/c1-25-19(26)16-9-18(13-4-5-13)28-11-21(16,24-20(25)23)15-8-14(6-7-17(15)22)27-10-12-2-3-12/h6-8,12-13,16,18H,2-5,9-11H2,1H3,(H2,23,24)/t16-,18+,21+/m0/s1 OWGBQKKKRZVLLM-YRISNDGFSA-N 227993 US10047098, 24 Beta-secretase 1 Homo sapiens 11.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473427 374884933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486247 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)C#N)ccc1F InChI=1S/C24H23FN4O3/c1-29-22(30)19-11-21(15-5-6-15)31-13-24(19,28-23(29)27)18-10-17(7-8-20(18)25)32-16-4-2-3-14(9-16)12-26/h2-4,7-10,15,19,21H,5-6,11,13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1 ONNIBYSFQOVAKA-XZDHIHRUSA-N 227994 US10047098, 25 Beta-secretase 1 Homo sapiens 27.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473431 374884934 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486249 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F InChI=1S/C22H25FN4O3/c1-13-5-16-18(28)27(2)19(25)26-22(16,12-29-13)15-6-14(3-4-17(15)23)30-11-21-7-20(8-21,9-21)10-24/h3-4,6,13,16H,5,7-9,11-12H2,1-2H3,(H2,25,26)/t13-,16-,20?,21?,22+/m0/s1 HVCZHIZDKPIJER-CFTRSLMZSA-N 227995 US10047098, 26 Beta-secretase 1 Homo sapiens 8.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227995&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473428 374884935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486251 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(c2)C#N)ccc1F InChI=1S/C23H22FN5O3/c1-29-21(30)18-8-20(14-2-3-14)31-12-23(18,28-22(29)26)17-7-15(4-5-19(17)24)32-16-6-13(9-25)10-27-11-16/h4-7,10-11,14,18,20H,2-3,8,12H2,1H3,(H2,26,28)/t18-,20+,23+/m0/s1 SHCRILHOSNODGR-JXHRLWIKSA-N 227996 US10047098, 27 Beta-secretase 1 Homo sapiens 10.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473732 374884936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486253 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)-c1cncnc1 InChI=1S/C21H22FN5O2/c1-27-19(28)16-7-18(12-2-3-12)29-10-21(16,26-20(27)23)15-6-13(4-5-17(15)22)14-8-24-11-25-9-14/h4-6,8-9,11-12,16,18H,2-3,7,10H2,1H3,(H2,23,26)/t16-,18+,21+/m0/s1 LTXGFFXQSKLSPS-YRISNDGFSA-N 227997 US10047098, 28 Beta-secretase 1 Homo sapiens 136 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227997&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462408 374884937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486255 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(n2)C(F)F)ccc1F InChI=1S/C22H22F3N5O3/c1-30-20(31)14-7-17(11-2-3-11)32-10-22(14,29-21(30)26)13-6-12(4-5-15(13)23)33-18-9-27-8-16(28-18)19(24)25/h4-6,8-9,11,14,17,19H,2-3,7,10H2,1H3,(H2,26,29)/t14-,17+,22+/m0/s1 MPTZEBVFNVJXDP-WTBBCNCBSA-N 227999 US10047098, 29 Beta-secretase 1 Homo sapiens 16.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473728 374884939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486257 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C22H22FN5O4/c1-28-20(29)17-9-15(11-30-2)31-12-22(17,27-21(28)25)16-8-14(3-4-18(16)23)32-19-7-13(10-24)5-6-26-19/h3-8,15,17H,9,11-12H2,1-2H3,(H2,25,27)/t15-,17+,22-/m1/s1 SEDSCYCTKHCWOK-ULYRPOKDSA-N 228000 US10047098, 30 Beta-secretase 1 Homo sapiens 3.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473733 374884940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486259 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C21H22F2N4O4/c1-27-19(28)15-9-13(10-29-2)30-11-21(15,26-20(27)24)14-8-12(5-6-16(14)22)31-18-17(23)4-3-7-25-18/h3-8,13,15H,9-11H2,1-2H3,(H2,24,26)/t13-,15+,21-/m1/s1 XJKFDLWEBWQJNA-VWVPQACVSA-N 228001 US10047098, 31 Beta-secretase 1 Homo sapiens 4.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473583 374884941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486261 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F InChI=1S/C20H26FN3O4/c1-24-18(25)16-8-14(10-26-2)28-11-20(16,23-19(24)22)15-7-13(5-6-17(15)21)27-9-12-3-4-12/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H2,22,23)/t14-,16+,20-/m1/s1 MHJRFSUXUKZQFM-PTSWNOGYSA-N 228002 US10047098, 32::US10047098, 90 Beta-secretase 1 Homo sapiens 21.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473580 374884942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486263 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F InChI=1S/C16H19BrFN3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-5-9(17)3-4-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1 ALMVURYVJCETEZ-RSAASHCRSA-N 228003 US10047098, 33::US10047098, 89 Beta-secretase 1 Homo sapiens 909 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462151 374884943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486265 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(n2)-n2cccn2)ccc1F InChI=1S/C25H25FN6O3/c1-31-23(33)18-13-20(15-6-7-15)34-14-25(18,30-24(31)27)17-12-16(8-9-19(17)26)35-22-5-2-4-21(29-22)32-11-3-10-28-32/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,27,30)/t18-,20+,25+/m0/s1 JZALFYMKSGBBQK-DMJCMNNJSA-N 228006 US10047098, 34 Beta-secretase 1 Homo sapiens 2.20 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462583 374884944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486267 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)-c2cocn2)ccc1F InChI=1S/C26H25FN4O4/c1-31-24(32)20-11-23(15-5-6-15)34-13-26(20,30-25(31)28)19-10-18(7-8-21(19)27)35-17-4-2-3-16(9-17)22-12-33-14-29-22/h2-4,7-10,12,14-15,20,23H,5-6,11,13H2,1H3,(H2,28,30)/t20-,23+,26+/m0/s1 ZTCFAYGMXHYGOE-VAPDBKPJSA-N 228007 US10047098, 35 Beta-secretase 1 Homo sapiens 13.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462561 374884945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486269 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-17-16(23)6-11(21)8-25-17/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1 OCDQCVOMXQIOQL-ZNUZLIQOSA-N 228008 US10047098, 36::US10047098, 79 Beta-secretase 1 Homo sapiens 8.90 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473744 374884946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486271 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F InChI=1S/C24H27FN4O3/c1-29-20(30)17-7-19(14-2-3-14)32-13-24(17,28-21(29)27)16-6-15(4-5-18(16)25)31-12-23-8-22(9-23,10-23)11-26/h4-6,14,17,19H,2-3,7-10,12-13H2,1H3,(H2,27,28)/t17-,19+,22?,23?,24+/m0/s1 UMJLKSFEAGVNAX-GGQLVBMXSA-N 228009 US10047098, 37 Beta-secretase 1 Homo sapiens 9.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473746 374884947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486273 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)C#N InChI=1S/C18H19FN4O2/c1-23-16(24)13-7-15(11-3-4-11)25-9-18(13,22-17(23)21)12-6-10(8-20)2-5-14(12)19/h2,5-6,11,13,15H,3-4,7,9H2,1H3,(H2,21,22)/t13-,15+,18+/m0/s1 WGWMVBFIFOTEES-JCKWVBRZSA-N 228010 US10047098, 38 Beta-secretase 1 Homo sapiens 206 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331715 374884948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486275 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cnccn2)ccc1F InChI=1S/C21H22FN5O3/c1-27-19(28)15-9-17(12-2-3-12)29-11-21(15,26-20(27)23)14-8-13(4-5-16(14)22)30-18-10-24-6-7-25-18/h4-8,10,12,15,17H,2-3,9,11H2,1H3,(H2,23,26)/t15-,17+,21+/m0/s1 VKDFHCGFHOAGDV-LUQKVYGDSA-N 228011 US10047098, 39 Beta-secretase 1 Homo sapiens 13.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331452 374884949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486277 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccncc2)ccc1F InChI=1S/C22H23FN4O3/c1-27-20(28)17-11-19(13-2-3-13)29-12-22(17,26-21(27)24)16-10-15(4-5-18(16)23)30-14-6-8-25-9-7-14/h4-10,13,17,19H,2-3,11-12H2,1H3,(H2,24,26)/t17-,19+,22+/m0/s1 IMEOUUXECCTHGS-LRXVAGHRSA-N 228012 US10047098, 40 Beta-secretase 1 Homo sapiens 54.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473615 374884950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486279 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnnc2)ccc1F InChI=1S/C21H22FN5O3/c1-27-19(28)16-9-18(12-2-3-12)29-11-21(16,26-20(27)23)15-8-13(4-5-17(15)22)30-14-6-7-24-25-10-14/h4-8,10,12,16,18H,2-3,9,11H2,1H3,(H2,23,26)/t16-,18+,21+/m0/s1 ZAHJIHACZITMNN-YRISNDGFSA-N 228013 US10047098, 41 Beta-secretase 1 Homo sapiens 106 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473616 374884951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486281 COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1 InChI=1S/C22H24FN5O4/c1-28-20(29)15-8-17(12-3-4-12)31-11-22(15,27-21(28)24)14-7-13(5-6-16(14)23)32-19-10-25-9-18(26-19)30-2/h5-7,9-10,12,15,17H,3-4,8,11H2,1-2H3,(H2,24,27)/t15-,17+,22+/m0/s1 GBFSOMOOYFFZFW-LBUQITIBSA-N 228014 US10047098, 42 Beta-secretase 1 Homo sapiens 7.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462619 374884952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486283 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccn2)ccc1F InChI=1S/C21H22FN5O3/c1-27-18(28)15-10-17(12-3-4-12)29-11-21(15,26-19(27)23)14-9-13(5-6-16(14)22)30-20-24-7-2-8-25-20/h2,5-9,12,15,17H,3-4,10-11H2,1H3,(H2,23,26)/t15-,17+,21+/m0/s1 SXBDKZSAVIKRML-LUQKVYGDSA-N 228015 US10047098, 43 Beta-secretase 1 Homo sapiens 52.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473617 374884953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486285 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CCC2)ccc1F InChI=1S/C22H28FN3O3/c1-26-20(27)17-10-19(14-5-6-14)29-12-22(17,25-21(26)24)16-9-15(7-8-18(16)23)28-11-13-3-2-4-13/h7-9,13-14,17,19H,2-6,10-12H2,1H3,(H2,24,25)/t17-,19+,22+/m0/s1 RPALTLKKQSHUIW-LRXVAGHRSA-N 228017 US10047098, 44 Beta-secretase 1 Homo sapiens 30.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473618 374884955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486287 CC(C)COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1 InChI=1S/C21H28FN3O3/c1-12(2)10-27-14-6-7-17(22)15(8-14)21-11-28-18(13-4-5-13)9-16(21)19(26)25(3)20(23)24-21/h6-8,12-13,16,18H,4-5,9-11H2,1-3H3,(H2,23,24)/t16-,18+,21+/m0/s1 COGFGPSRPZHREO-YRISNDGFSA-N 228019 US10047098, 45 Beta-secretase 1 Homo sapiens 45.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473454 374884957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486289 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)F)ccc1F InChI=1S/C19H22F3N3O3/c1-25-17(26)13-7-15(10-2-3-10)28-9-19(13,24-18(25)23)12-6-11(4-5-14(12)20)27-8-16(21)22/h4-6,10,13,15-16H,2-3,7-9H2,1H3,(H2,23,24)/t13-,15+,19+/m0/s1 PWLVIVOCYSQWGJ-ZBQZNYHESA-N 228020 US10047098, 46 Beta-secretase 1 Homo sapiens 40.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473443 374884958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486291 COC[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H19F2N3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-4-3-9(17)5-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12-,16+/m0/s1 ZSTDDUYXLHRAMA-KNHMANMVSA-N 228021 US10047098, 47 Beta-secretase 1 Homo sapiens 5722 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473444 374884959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486293 COC(=O)[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C16H17F2N3O4/c1-21-13(22)10-6-12(14(23)24-2)25-7-16(10,20-15(21)19)9-4-3-8(17)5-11(9)18/h3-5,10,12H,6-7H2,1-2H3,(H2,19,20)/t10-,12-,16+/m0/s1 AXXJWDBVUZBQMA-KNHMANMVSA-N 228022 US10047098, 48 Beta-secretase 1 Homo sapiens 1106 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473449 374884960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486295 CCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1 InChI=1S/C20H26FN3O3/c1-3-8-26-13-6-7-16(21)14(9-13)20-11-27-17(12-4-5-12)10-15(20)18(25)24(2)19(22)23-20/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3,(H2,22,23)/t15-,17+,20+/m0/s1 FZDLGVCJJOWLEU-XAUMDUMWSA-N 228023 US10047098, 49 Beta-secretase 1 Homo sapiens 66.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331755 374884961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486297 COCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1 InChI=1S/C20H26FN3O4/c1-24-18(25)15-10-17(12-3-4-12)28-11-20(15,23-19(24)22)14-9-13(5-6-16(14)21)27-8-7-26-2/h5-6,9,12,15,17H,3-4,7-8,10-11H2,1-2H3,(H2,22,23)/t15-,17+,20+/m0/s1 ZKQCIWVOCSLNMY-XAUMDUMWSA-N 228024 US10047098, 50 Beta-secretase 1 Homo sapiens 92.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473596 374884962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486299 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC(F)(F)C2)ccc1F InChI=1S/C22H26F3N3O3/c1-28-19(29)16-7-18(13-2-3-13)31-11-22(16,27-20(28)26)15-6-14(4-5-17(15)23)30-10-12-8-21(24,25)9-12/h4-6,12-13,16,18H,2-3,7-11H2,1H3,(H2,26,27)/t16-,18+,22+/m0/s1 COMJXCVCOJPHMX-AQOAWAETSA-N 228025 US10047098, 51 Beta-secretase 1 Homo sapiens 55.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473591 374884963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486301 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2(F)F)ccc1F InChI=1S/C21H24F3N3O3/c1-27-18(28)15-7-17(11-2-3-11)30-10-20(15,26-19(27)25)14-6-13(4-5-16(14)22)29-9-12-8-21(12,23)24/h4-6,11-12,15,17H,2-3,7-10H2,1H3,(H2,25,26)/t12?,15-,17+,20+/m0/s1 ZNMXVXCOFTXNAL-GHRXZKGRSA-N 228026 US10047098, 52 Beta-secretase 1 Homo sapiens 31.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462277 374884964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486303 COC1CC(COc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)C1 InChI=1S/C23H30FN3O4/c1-27-21(28)18-10-20(14-3-4-14)31-12-23(18,26-22(27)25)17-9-15(5-6-19(17)24)30-11-13-7-16(8-13)29-2/h5-6,9,13-14,16,18,20H,3-4,7-8,10-12H2,1-2H3,(H2,25,26)/t13?,16?,18-,20+,23+/m0/s1 YFAUFWQOCWQQGA-OPECPVASSA-N 228027 US10047098, 53 Beta-secretase 1 Homo sapiens 180 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473592 374884965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486305 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)C3)ccc1F InChI=1S/C23H28FN3O3/c1-27-20(28)17-7-19(14-2-3-14)30-12-23(17,26-21(27)25)16-6-15(4-5-18(16)24)29-11-22-8-13(9-22)10-22/h4-6,13-14,17,19H,2-3,7-12H2,1H3,(H2,25,26)/t13?,17-,19+,22?,23+/m0/s1 HRCMDHXPZIIDQW-NLCLAXHPSA-N 228028 US10047098, 54 Beta-secretase 1 Homo sapiens 21.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473597 374884966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486307 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)(F)F)ccc1F InChI=1S/C19H21F4N3O3/c1-26-16(27)13-7-15(10-2-3-10)29-8-18(13,25-17(26)24)12-6-11(4-5-14(12)20)28-9-19(21,22)23/h4-6,10,13,15H,2-3,7-9H2,1H3,(H2,24,25)/t13-,15+,18+/m0/s1 NJPSRIKFWGSVNB-JCKWVBRZSA-N 228029 US10047098, 55 Beta-secretase 1 Homo sapiens 636 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473593 374884967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511949 C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F4N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18-,19+/m0/s1 XALHHBCHONQAFO-ZYSHUDEJSA-N 270545 N-(3-((2R,3S,5S)-6-Amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-fluoropicolinamide::US10059669, Compound 1 Beta-secretase 1 Homo sapiens 30.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334926 378152428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511950 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F InChI=1S/C19H20F3N5O2/c1-18(22)7-14(21)19(2,27-17(18)23)11-6-10(4-5-12(11)20)26-16(28)13-8-25-15(29-3)9-24-13/h4-6,8-9,14H,7H2,1-3H3,(H2,23,27)(H,26,28)/t14-,18-,19+/m0/s1 LMPPAZCPPBTWFD-ZOCIIQOWSA-N 270546 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide::US10059669, Compound 2::US10059669, Compound 20 Beta-secretase 1 Homo sapiens 26.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334876 378152429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511951 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F InChI=1S/C20H21F3N4O2/c1-19(23)9-16(22)20(2,27-18(19)24)13-8-11(4-6-14(13)21)26-17(28)15-7-5-12(29-3)10-25-15/h4-8,10,16H,9H2,1-3H3,(H2,24,27)(H,26,28)/t16-,19-,20+/m0/s1 SDCQRHRAPZSMRH-FFZOFVMBSA-N 270547 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypicolinamide::US10059669, Compound 19::US10059669, Compound 3 Beta-secretase 1 Homo sapiens 23.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334929 378152430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511952 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F4N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18+,19+/m0/s1 XALHHBCHONQAFO-KFKAGJAMSA-N 270548 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-fluoropicolinamide::US10059669, Compound 4 Beta-secretase 1 Homo sapiens 98.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334905 378152431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511953 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C19H20F3N5O2/c1-18(22)7-14(21)19(2,27-17(18)23)11-6-10(4-5-12(11)20)26-16(28)13-8-25-15(29-3)9-24-13/h4-6,8-9,14H,7H2,1-3H3,(H2,23,27)(H,26,28)/t14-,18+,19+/m0/s1 LMPPAZCPPBTWFD-GDIGMMSISA-N 270549 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide::US10059669, Compound 5 Beta-secretase 1 Homo sapiens 51.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334898 378152432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511954 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C18H19F3N4O2/c1-9-23-13(8-27-9)15(26)24-10-4-5-12(19)11(6-10)18(3)14(20)7-17(2,21)16(22)25-18/h4-6,8,14H,7H2,1-3H3,(H2,22,25)(H,24,26)/t14-,17+,18+/m0/s1 DUWARKGMDBBTAR-BMGDILEWSA-N 270550 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-2-methyloxazole-4-carboxamide::US10059669, Compound 6 Beta-secretase 1 Homo sapiens 58.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334878 378152433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511955 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C20H21F3N4O2/c1-19(23)9-16(22)20(2,27-18(19)24)13-8-11(4-6-14(13)21)26-17(28)15-7-5-12(29-3)10-25-15/h4-8,10,16H,9H2,1-3H3,(H2,24,27)(H,26,28)/t16-,19+,20+/m0/s1 SDCQRHRAPZSMRH-PWIZWCRZSA-N 270551 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypicolinamide::US10059669, Compound 7::US10059669, Compound 8 Beta-secretase 1 Homo sapiens 39.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334881 378152434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511956 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C20H21F3N4O2/c1-19(23)9-16(22)20(2,27-18(19)24)13-8-11(4-6-14(13)21)26-17(28)15-7-5-12(29-3)10-25-15/h4-8,10,16H,9H2,1-3H3,(H2,24,27)(H,26,28)/t16-,19+,20+/m0/s1 SDCQRHRAPZSMRH-PWIZWCRZSA-N 270551 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypicolinamide::US10059669, Compound 7::US10059669, Compound 8 Beta-secretase 1 Homo sapiens 58.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334881 378152434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511957 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClF3N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18+,19+/m0/s1 DIXLFUORGJSFSS-KFKAGJAMSA-N 270553 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-chloropicolinamide::US10059669, Compound 9 Beta-secretase 1 Homo sapiens 36.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334970 378152435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511958 Cn1ccnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C18H20F3N5O/c1-17(21)9-13(20)18(2,25-16(17)22)11-8-10(4-5-12(11)19)24-15(27)14-23-6-7-26(14)3/h4-8,13H,9H2,1-3H3,(H2,22,25)(H,24,27)/t13-,17+,18+/m0/s1 KEFHXOJLHUSKMT-MORSLUCNSA-N 270554 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-1-methyl-1H-imidazole-2-carboxamide::US10059669, Compound 10 Beta-secretase 1 Homo sapiens 820 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334875 378152436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511959 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H17F6N5O/c1-17(22)6-13(21)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)12-7-28-14(8-27-12)19(23,24)25/h3-5,7-8,13H,6H2,1-2H3,(H2,26,30)(H,29,31)/t13-,17+,18+/m0/s1 TWSSURVTORVDAY-MORSLUCNSA-N 270555 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-(trifluoromethyl)pyrazine-2-carboxamide::US10059669, Compound 11 Beta-secretase 1 Homo sapiens 190 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342608 378152437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511960 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C18H19F3N4OS/c1-9-8-27-15(23-9)14(26)24-10-4-5-12(19)11(6-10)18(3)13(20)7-17(2,21)16(22)25-18/h4-6,8,13H,7H2,1-3H3,(H2,22,25)(H,24,26)/t13-,17+,18+/m0/s1 XBWMYCLVICZUPJ-MORSLUCNSA-N 270556 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-4-methylthiazole-2-carboxamide::US10059669, Compound 12 Beta-secretase 1 Homo sapiens 99.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334884 378152438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511961 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C18H17F5N4O2/c1-17(23)6-12(20)18(2,27-16(17)24)9-5-8(3-4-10(9)19)25-14(28)11-7-29-15(26-11)13(21)22/h3-5,7,12-13H,6H2,1-2H3,(H2,24,27)(H,25,28)/t12-,17+,18+/m0/s1 MKALVGUITDWCBU-JBBXEZCESA-N 270557 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-2-(difluoromethyl)oxazole-4-carboxamide::US10059669, Compound 13 Beta-secretase 1 Homo sapiens 62.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334943 378152439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511962 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C18H18F5N5O/c1-17(23)8-13(20)18(2,26-15(17)24)10-7-9(3-4-11(10)19)25-14(29)12-5-6-28(27-12)16(21)22/h3-7,13,16H,8H2,1-2H3,(H2,24,26)(H,25,29)/t13-,17+,18+/m0/s1 WXDMVGSXLBQAFT-MORSLUCNSA-N 270558 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide::US10059669, Compound 14 Beta-secretase 1 Homo sapiens 45.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342592 378152440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511963 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H18F5N5O/c1-18(24)6-14(21)19(2,29-17(18)25)10-5-9(3-4-11(10)20)28-16(30)13-8-26-12(7-27-13)15(22)23/h3-5,7-8,14-15H,6H2,1-2H3,(H2,25,29)(H,28,30)/t14-,18+,19+/m0/s1 IZSBODGCPPAGMN-GDIGMMSISA-N 270559 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamide::US10059669, Compound 15 Beta-secretase 1 Homo sapiens 100.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334983 378152441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511964 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C20H19ClF3N3O/c1-19(24)10-16(23)20(2,27-18(19)25)14-9-13(7-8-15(14)22)26-17(28)11-3-5-12(21)6-4-11/h3-9,16H,10H2,1-2H3,(H2,25,27)(H,26,28)/t16-,19+,20+/m0/s1 AJGVZETZKUVYKJ-PWIZWCRZSA-N 270560 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-4-chlorobenzamide::US10059669, Compound 16 Beta-secretase 1 Homo sapiens 220 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342609 378152442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511965 C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18F3N5O/c1-19(23)8-16(22)20(2,28-18(19)25)13-7-12(4-5-14(13)21)27-17(29)15-6-3-11(9-24)10-26-15/h3-7,10,16H,8H2,1-2H3,(H2,25,28)(H,27,29)/t16-,19+,20+/m0/s1 WCPDIWUESCJJQB-PWIZWCRZSA-N 270561 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-cyanopicolinamide::US10059669, Compound 17 Beta-secretase 1 Homo sapiens 39.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342593 378152443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511966 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F InChI=1S/C20H20F4N4O2/c1-19(24)8-15(22)20(2,28-18(19)25)12-6-10(7-13(21)16(12)23)27-17(29)14-5-4-11(30-3)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,29)/t15-,19+,20+/m0/s1 SQIQRCLIEUFUQX-CWFSZBLJSA-N 270562 N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-(methoxy-d3)picolinamide::US10059669, Compound 18 Beta-secretase 1 Homo sapiens 6.80 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136213672 378152444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511967 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F InChI=1S/C20H21F3N4O2/c1-19(23)9-16(22)20(2,27-18(19)24)13-8-11(4-6-14(13)21)26-17(28)15-7-5-12(29-3)10-25-15/h4-8,10,16H,9H2,1-3H3,(H2,24,27)(H,26,28)/t16-,19-,20+/m0/s1 SDCQRHRAPZSMRH-FFZOFVMBSA-N 270547 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypicolinamide::US10059669, Compound 19::US10059669, Compound 3 Beta-secretase 1 Homo sapiens 20.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334929 378152430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511968 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F InChI=1S/C19H20F3N5O2/c1-18(22)7-14(21)19(2,27-17(18)23)11-6-10(4-5-12(11)20)26-16(28)13-8-25-15(29-3)9-24-13/h4-6,8-9,14H,7H2,1-3H3,(H2,23,27)(H,26,28)/t14-,18-,19+/m0/s1 LMPPAZCPPBTWFD-ZOCIIQOWSA-N 270546 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide::US10059669, Compound 2::US10059669, Compound 20 Beta-secretase 1 Homo sapiens 21.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334876 378152429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511969 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F)C#N InChI=1S/C21H20F3N5O/c1-11-6-12(9-25)10-27-17(11)18(30)28-13-4-5-15(22)14(7-13)21(3)16(23)8-20(2,24)19(26)29-21/h4-7,10,16H,8H2,1-3H3,(H2,26,29)(H,28,30)/t16-,20-,21+/m0/s1 GPCCSHQCGAPDPR-ORYQWCPZSA-N 270565 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-cyano-3-methylpicolinamide::US10059669, Compound 21 Beta-secretase 1 Homo sapiens 4.10 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342585 378152445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511970 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F InChI=1S/C20H20F4N4O2/c1-19(24)8-15(22)20(2,28-18(19)25)12-6-10(7-13(21)16(12)23)27-17(29)14-5-4-11(30-3)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,29)/t15-,19-,20+/m0/s1 SQIQRCLIEUFUQX-RYGJVYDSSA-N 270566 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-(methoxy-d3)picolinamide::US10059669, Compound 22 Beta-secretase 1 Homo sapiens 3.60 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136213673 378152446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511971 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@H]1F InChI=1S/C20H21F3N4O2/c1-19(23)9-16(22)20(2,27-18(19)24)13-8-11(4-6-14(13)21)26-17(28)15-7-5-12(29-3)10-25-15/h4-8,10,16H,9H2,1-3H3,(H2,24,27)(H,26,28)/t16-,19+,20-/m1/s1 SDCQRHRAPZSMRH-LSTHTHJFSA-N 270567 N-(3-((2R,3R,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-(methoxy-d3)picolinamide::US10059669, Compound 23 Beta-secretase 1 Homo sapiens 81.0 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136213674 378152447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 511972 C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H18BrF3N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18-,19+/m0/s1 PXUGYMSJXYXUKE-ZYSHUDEJSA-N 270568 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-bromopicolinamide::US10059669, Compound 24 Beta-secretase 1 Homo sapiens 4.30 4.5 25.00 C US Patent 10.7270/Q2K35WPJ aid1795422 US10059669 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334947 378152448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487498 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CSCC(N)=N1 InChI=1S/C17H18FN5O2S/c1-17(9-26-8-14(19)23-17)11-5-10(3-4-12(11)18)22-16(24)13-6-21-15(25-2)7-20-13/h3-7H,8-9H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 OWJAYQBHYVORLX-KRWDZBQOSA-N 228394 US9556135, 43 Beta-secretase 1 Homo sapiens 23.6 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669983 376220537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487500 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C19H17ClFN5O2S/c1-19(10-29(27,28)9-16(22)26-19)14-7-13(2-3-15(14)21)25-18-17-11(4-5-23-18)6-12(20)8-24-17/h2-8H,9-10H2,1H3,(H2,22,26)(H,23,25)/t19-/m0/s1 RDMQQBSWRLGLCI-IBGZPJMESA-N 228395 US9556135, 57 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670146 376220538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487502 Cc1nc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)CC(N)=N3)nccc2s1 InChI=1S/C18H18FN5O2S2/c1-10-22-16-14(27-10)5-6-21-17(16)23-11-3-4-13(19)12(7-11)18(2)9-28(25,26)8-15(20)24-18/h3-7H,8-9H2,1-2H3,(H2,20,24)(H,21,23)/t18-/m0/s1 GZZVUBUZQXEFBF-SFHVURJKSA-N 228397 US9556135, 58 Beta-secretase 1 Homo sapiens 190 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870660 376220539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487504 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 HVMRBCNORJDLCW-IBGZPJMESA-N 209918 US9273042, 7::US9556135, 17 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562573 328082893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487506 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C21H21ClFN5O2S/c1-20(2)19(24)28-21(3,11-31(20,29)30)15-9-14(4-5-16(15)23)27-18-17-12(6-7-25-18)8-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,24,28)(H,25,27)/t21-/m0/s1 MDJRVFPOIGBFMX-NRFANRHFSA-N 228399 US9556135, 45 Beta-secretase 1 Homo sapiens 0.590 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670147 376220541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487508 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2c1 InChI=1S/C22H24FN5O3S/c1-21(2)20(24)28-22(3,12-32(21,29)30)16-10-14(5-6-17(16)23)27-19-18-13(7-8-25-19)9-15(31-4)11-26-18/h5-11H,12H2,1-4H3,(H2,24,28)(H,25,27)/t22-/m0/s1 NRKYSFHKOOCVCC-QFIPXVFZSA-N 228400 US9556135, 46 Beta-secretase 1 Homo sapiens 5.40 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670148 376220542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487510 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H20F2N4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 IXNHXYGWJABLFS-IBGZPJMESA-N 228401 US9556135, 18 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562572 376220543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487512 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LMHDJRUKZXENER-IBGZPJMESA-N 50012660 CHEMBL3261078::US9273042, 5::US9556135, 19 Beta-secretase 1 Homo sapiens 0.850 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562362 103924913 CHEMBL3261078 ZINC29414433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487514 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2n1 InChI=1S/C21H23FN6O3S/c1-20(2)19(23)28-21(3,11-32(20,29)30)13-9-12(5-6-14(13)22)26-18-17-15(7-8-24-18)27-16(31-4)10-25-17/h5-10H,11H2,1-4H3,(H2,23,28)(H,24,26)/t21-/m0/s1 WUVSAUZYJJNVFU-NRFANRHFSA-N 228403 US9556135, 47 Beta-secretase 1 Homo sapiens 2.90 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670317 376220545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487516 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C22H21FN6O2S/c1-21(2)20(25)29-22(3,12-32(21,30)31)16-9-15(4-5-17(16)23)28-19-18-14(6-7-26-19)8-13(10-24)11-27-18/h4-9,11H,12H2,1-3H3,(H2,25,29)(H,26,28)/t22-/m0/s1 NBABUUDFADODMC-QFIPXVFZSA-N 228404 US9556135, 48 Beta-secretase 1 Homo sapiens 0.540 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670320 376220546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487518 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)C(N)=N1 InChI=1S/C18H20FN5O4S/c1-10-16(20)24-18(2,9-29(10,26)27)12-6-11(4-5-13(12)19)23-17(25)14-7-22-15(28-3)8-21-14/h4-8,10H,9H2,1-3H3,(H2,20,24)(H,23,25)/t10?,18-/m0/s1 NYFJERLLXFNMNO-MPNQORANSA-N 228405 US9556135, 82 Beta-secretase 1 Homo sapiens 7.50 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869723 376220547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487520 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CS(=O)(=O)C(C)(C)C(N)=N1)C(F)(F)F InChI=1S/C19H19F4N5O4S/c1-17(2)16(24)28-18(19(21,22)23,9-33(17,30)31)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(32-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t18-/m1/s1 LTAOWGDKMDXDMM-GOSISDBHSA-N 228406 US9556135, 34 Beta-secretase 1 Homo sapiens 883 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669817 376220548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487522 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CS(=O)(=O)C(C)(C)C(N)=N3)C(F)(F)F)nccc2c1 InChI=1S/C22H21F4N5O3S/c1-20(2)19(27)31-21(22(24,25)26,11-35(20,32)33)15-9-13(4-5-16(15)23)30-18-17-12(6-7-28-18)8-14(34-3)10-29-17/h4-10H,11H2,1-3H3,(H2,27,31)(H,28,30)/t21-/m1/s1 ONYVTUACXURQKI-OAQYLSRUSA-N 228407 US9556135, 64 Beta-secretase 1 Homo sapiens 8690 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670319 376220549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487524 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(CS(=O)(=O)C(C)(C)C(N)=N1)C(F)F InChI=1S/C19H20F3N5O4S/c1-18(2)17(23)27-19(16(21)22,9-32(18,29)30)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28) XCNQMVNUQKTPJS-UHFFFAOYSA-N 228408 US9556135, 32 Beta-secretase 1 Homo sapiens 53.1 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117870167 376220550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487526 COc1cnc2c(Nc3ccc(F)c(c3)C3(CS(=O)(=O)C(C)(C)C(N)=N3)C(F)F)nccc2c1 InChI=1S/C22H22F3N5O3S/c1-21(2)20(26)30-22(19(24)25,11-34(21,31)32)15-9-13(4-5-16(15)23)29-18-17-12(6-7-27-18)8-14(33-3)10-28-17/h4-10,19H,11H2,1-3H3,(H2,26,30)(H,27,29) ZOLKWRSHZILJTI-UHFFFAOYSA-N 228409 US9556135, 62 Beta-secretase 1 Homo sapiens 241 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117869817 376220551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487528 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CCCC4)C(N)=N3)nccc2c1 InChI=1S/C24H26FN5O3S/c1-23(14-34(31,32)24(22(26)30-23)8-3-4-9-24)18-12-16(5-6-19(18)25)29-21-20-15(7-10-27-21)11-17(33-2)13-28-20/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H2,26,30)(H,27,29)/t23-/m0/s1 BSDDBIUNPGLDBP-QHCPKHFHSA-N 228410 US9556135, 84 Beta-secretase 1 Homo sapiens 23.4 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670486 376220552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487530 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)nccc2c1 InChI=1S/C22H22FN5O3S/c1-21(12-32(29,30)22(6-7-22)20(24)28-21)16-10-14(3-4-17(16)23)27-19-18-13(5-8-25-19)9-15(31-2)11-26-18/h3-5,8-11H,6-7,12H2,1-2H3,(H2,24,28)(H,25,27)/t21-/m0/s1 LAZMSGKXGPDNCL-NRFANRHFSA-N 228411 US9556135, 86 Beta-secretase 1 Homo sapiens 13.6 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670488 376220553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487532 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(F)C(N)=N3)nccc2c1 InChI=1S/C21H21F2N5O3S/c1-20(11-32(29,30)21(2,23)19(24)28-20)15-9-13(4-5-16(15)22)27-18-17-12(6-7-25-18)8-14(31-3)10-26-17/h4-10H,11H2,1-3H3,(H2,24,28)(H,25,27)/t20-,21+/m0/s1 GZCQBQMVTZSNEW-LEWJYISDSA-N 228412 US9556135, 74 Beta-secretase 1 Homo sapiens 13.7 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670491 376220554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487534 CC1(C)C(N)=N[C@](C)(CS1(=O)=O)c1cc(Nc2noc3cc(Cl)cnc23)ccc1F InChI=1S/C19H19ClFN5O3S/c1-18(2)17(22)25-19(3,9-30(18,27)28)12-7-11(4-5-13(12)21)24-16-15-14(29-26-16)6-10(20)8-23-15/h4-8H,9H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m1/s1 AHNAGPOEEVGRTP-LJQANCHMSA-N 228413 US9556135, 78 Beta-secretase 1 Homo sapiens 13.8 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670487 376220555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487536 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-15(14)23)28-18-17-13(16(24)9-27-18)6-11(22)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1 QSMLHPBJXBLGPR-NRFANRHFSA-N 228414 US9556135, 49 Beta-secretase 1 Homo sapiens 0.560 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670490 376220556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487538 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-13(8-15(23)16(14)24)28-18-17-11(4-5-26-18)6-12(22)9-27-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,26,28)/t21-/m0/s1 SFYOLSDDWGWULR-NRFANRHFSA-N 228415 US9556135, 69::US9556135, 70 Beta-secretase 1 Homo sapiens 1.40 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670988 376220557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487540 CC1(C)C(N)=NC(C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27) VDJQZEYADVRHBV-UHFFFAOYSA-N 228416 US9556135, 35 Beta-secretase 1 Homo sapiens 2.70 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77143051 376220558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487542 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CS(=O)(=O)C(C)(C)C(N)=N1)C(F)F InChI=1S/C19H20F3N5O4S/c1-18(2)17(23)27-19(16(21)22,9-32(18,29)30)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28)/t19-/m0/s1 XCNQMVNUQKTPJS-IBGZPJMESA-N 228417 US9556135, 36 Beta-secretase 1 Homo sapiens 20.2 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670142 376220559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487544 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(CS(=O)(=O)C(C)(C)C(N)=N3)C(F)F)nccc2c1 InChI=1S/C22H22F3N5O3S/c1-21(2)20(26)30-22(19(24)25,11-34(21,31)32)15-9-13(4-5-16(15)23)29-18-17-12(6-7-27-18)8-14(33-3)10-28-17/h4-10,19H,11H2,1-3H3,(H2,26,30)(H,27,29)/t22-/m0/s1 ZOLKWRSHZILJTI-QFIPXVFZSA-N 228418 US9556135, 67 Beta-secretase 1 Homo sapiens 68.0 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670318 376220560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487546 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C22H20F2N6O2S/c1-21(2)20(25)30-22(3,11-33(21,31)32)15-8-12(5-6-16(15)23)29-19-18-14(17(24)10-28-19)7-13(26-4)9-27-18/h5-10H,11H2,1-3H3,(H2,25,30)(H,28,29)/t22-/m0/s1 YTSPYAQXAIBPJH-QFIPXVFZSA-N 228419 US9556135, 76 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134822681 376220561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487548 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(F)C(N)=N1 InChI=1S/C18H19F2N5O4S/c1-17(9-30(27,28)18(2,20)16(21)25-17)11-6-10(4-5-12(11)19)24-15(26)13-7-23-14(29-3)8-22-13/h4-8H,9H2,1-3H3,(H2,21,25)(H,24,26)/t17-,18+/m0/s1 GYWDJTAJBDZTRL-ZWKOTPCHSA-N 228420 US9556135, 30 Beta-secretase 1 Homo sapiens 3.10 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117868813 376220562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487550 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Sc2cccc3ccccc23)ccc1F InChI=1S/C23H23FN2O2S2/c1-22(2)21(25)26-23(3,14-30(22,27)28)18-13-16(11-12-19(18)24)29-20-10-6-8-15-7-4-5-9-17(15)20/h4-13H,14H2,1-3H3,(H2,25,26)/t23-/m0/s1 KFMSKOLCGJIAOI-QHCPKHFHSA-N 228421 US9556135, 79 Beta-secretase 1 Homo sapiens 2500 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670651 376220563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487552 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(F)C(N)=N3)nccc2n1 InChI=1S/C20H20F2N6O3S/c1-19(10-32(29,30)20(2,22)18(23)28-19)12-8-11(4-5-13(12)21)26-17-16-14(6-7-24-17)27-15(31-3)9-25-16/h4-9H,10H2,1-3H3,(H2,23,28)(H,24,26)/t19-,20+/m0/s1 SLAUXFIOHFVTOQ-VQTJNVASSA-N 228422 US9556135, 59 Beta-secretase 1 Homo sapiens 3.30 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670653 376220564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487554 C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F2N6O2S/c1-20(11-32(30,31)21(2,23)19(25)29-20)15-8-14(3-4-16(15)22)28-18-17-13(5-6-26-18)7-12(9-24)10-27-17/h3-8,10H,11H2,1-2H3,(H2,25,29)(H,26,28)/t20-,21+/m0/s1 AASUEZGNCWEKAR-LEWJYISDSA-N 228423 US9556135, 60 Beta-secretase 1 Homo sapiens <2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670654 376220565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487556 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F InChI=1S/C20H21F3N4O3S/c1-19(2)18(24)27-20(3,10-31(19,29)30)13-8-12(5-6-14(13)21)26-17(28)15-7-4-11(9-25-15)16(22)23/h4-9,16H,10H2,1-3H3,(H2,24,27)(H,26,28)/t20-/m0/s1 UMMQRTSNPOPIGV-FQEVSTJZSA-N 228424 US9556135, 20 Beta-secretase 1 Homo sapiens 2.70 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73669984 376220566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487558 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)ncc(F)c2c1 InChI=1S/C22H23F2N5O3S/c1-21(2)20(25)29-22(3,11-33(21,30)31)15-7-12(5-6-16(15)23)28-19-18-14(17(24)10-27-19)8-13(32-4)9-26-18/h5-10H,11H2,1-4H3,(H2,25,29)(H,27,28)/t22-/m0/s1 CVUPXLCRFMZZCL-QFIPXVFZSA-N 228425 US9556135, 50 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670655 376220567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487560 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)ncnc2c1 InChI=1S/C21H23FN6O3S/c1-20(2)19(23)28-21(3,10-32(20,29)30)14-7-12(5-6-15(14)22)27-18-17-16(25-11-26-18)8-13(31-4)9-24-17/h5-9,11H,10H2,1-4H3,(H2,23,28)(H,25,26,27)/t21-/m0/s1 MAUGPWOQYVUTBD-NRFANRHFSA-N 228426 US9556135, 51 Beta-secretase 1 Homo sapiens 2.70 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670823 376220568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487562 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C20H20ClFN6O2S/c1-19(2)18(23)28-20(3,9-31(19,29)30)13-7-12(4-5-14(13)22)27-17-16-15(25-10-26-17)6-11(21)8-24-16/h4-8,10H,9H2,1-3H3,(H2,23,28)(H,25,26,27)/t20-/m0/s1 KYECLCZQTNURAW-FQEVSTJZSA-N 228427 US9556135, 52 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670825 376220569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487564 COc1cc(F)c2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)ncnc2c1 InChI=1S/C22H23F2N5O3S/c1-21(2)20(25)29-22(3,10-33(21,30)31)14-7-12(5-6-15(14)23)28-19-18-16(24)8-13(32-4)9-17(18)26-11-27-19/h5-9,11H,10H2,1-4H3,(H2,25,29)(H,26,27,28)/t22-/m0/s1 DHMOSWCCFOUHTG-QFIPXVFZSA-N 228428 US9556135, 53 Beta-secretase 1 Homo sapiens 739 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73670824 376220570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 487566 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H19F4N5O3S/c1-17(2)16(24)28-18(3,9-32(17,30)31)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(8-25-13)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t18-/m0/s1 YWTKWRVWZMDOMN-SFHVURJKSA-N 228429 US9556135, 21 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q2X0691F aid1795140 US9556135 Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562364 376220571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510696 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H15ClF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1 MLHBJYSBEAENRB-QGZVFWFLSA-N 269485 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-chloropicolinamide::US10058540, 1 Beta-secretase 1 Homo sapiens 5.70 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334324 378151575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510697 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H15F5N4O/c19-9-17(18(22,23)6-5-15(24)27-17)12-7-11(2-3-13(12)21)26-16(28)14-4-1-10(20)8-25-14/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1 XXMLNKQOAFDTFR-QGZVFWFLSA-N 269486 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-5-fluoropicolinamide ::US10058540, 2 Beta-secretase 1 Homo sapiens 22.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334269 378151576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510698 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C18H17F4N5O2/c1-29-15-8-24-13(7-25-15)16(28)26-10-2-3-12(20)11(6-10)17(9-19)18(21,22)5-4-14(23)27-17/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m1/s1 BQSURONVBRBQGH-QGZVFWFLSA-N 269487 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-5-methoxypyrazine-2-carboxamide ::US10058540, 3 Beta-secretase 1 Homo sapiens 13.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342539 378151577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510699 NC1=N[C@](CF)(c2cc(NC(=O)c3ccn(n3)C(F)F)ccc2F)C(F)(F)CC1 InChI=1S/C17H15F6N5O/c18-8-16(17(22,23)5-3-13(24)26-16)10-7-9(1-2-11(10)19)25-14(29)12-4-6-28(27-12)15(20)21/h1-2,4,6-7,15H,3,5,8H2,(H2,24,26)(H,25,29)/t16-/m1/s1 YABHBFKTFCFJMS-MRXNPFEDSA-N 269488 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide ::US10058540, 4 Beta-secretase 1 Homo sapiens 25.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342570 378151578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510700 NC1=N[C@](CF)(c2cc(NC(=O)c3coc(n3)C(F)F)ccc2F)C(F)(F)CC1 InChI=1S/C17H14F6N4O2/c18-7-16(17(22,23)4-3-12(24)27-16)9-5-8(1-2-10(9)19)25-14(28)11-6-29-15(26-11)13(20)21/h1-2,5-6,13H,3-4,7H2,(H2,24,27)(H,25,28)/t16-/m1/s1 GMRBDRHLQSXBSJ-MRXNPFEDSA-N 269489 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-2-(difluoromethyl)oxazole-4-carboxamide ::US10058540, 5 Beta-secretase 1 Homo sapiens 15.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334295 378151579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510701 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 InChI=1S/C19H15F4N5O/c20-10-18(19(22,23)6-5-16(25)28-18)13-7-12(2-3-14(13)21)27-17(29)15-4-1-11(8-24)9-26-15/h1-4,7,9H,5-6,10H2,(H2,25,28)(H,27,29)/t18-/m1/s1 MKGIGVAZBLMJAS-GOSISDBHSA-N 269490 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-5-cyanopicolinamide ::US10058540, 6 Beta-secretase 1 Homo sapiens 20.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334347 378151580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510702 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C17H16F4N4O2/c1-9-23-13(7-27-9)15(26)24-10-2-3-12(19)11(6-10)16(8-18)17(20,21)5-4-14(22)25-16/h2-3,6-7H,4-5,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 PKUJERONITWLTF-MRXNPFEDSA-N 269491 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-2-methyloxazole-4-carboxamide ::US10058540, 7 Beta-secretase 1 Homo sapiens 32.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334294 378151581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510703 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C18H17F4N5O2/c1-29-11-7-24-15(25-8-11)16(28)26-10-2-3-13(20)12(6-10)17(9-19)18(21,22)5-4-14(23)27-17/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m1/s1 HWWJZFVCOSXARA-QGZVFWFLSA-N 269492 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-5-methoxypyrimidine-2-carboxamide ::US10058540, 8 Beta-secretase 1 Homo sapiens 29.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334283 378151582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510704 NC1=N[C@](CF)(c2cc(NC(=O)c3ncc(cn3)C(F)F)ccc2F)C(F)(F)CC1 InChI=1S/C18H15F6N5O/c19-8-17(18(23,24)4-3-13(25)29-17)11-5-10(1-2-12(11)20)28-16(30)15-26-6-9(7-27-15)14(21)22/h1-2,5-7,14H,3-4,8H2,(H2,25,29)(H,28,30)/t17-/m1/s1 ZORFGRSYCJDIMX-QGZVFWFLSA-N 269493 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluoro-phenyl)-5-(difluoromethyl)pyrazine-2-carboxamide ::US10058540, 9 Beta-secretase 1 Homo sapiens 30.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132176030 378151583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510705 Cc1nc(co1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C17H15F5N4O2/c1-8-24-12(6-28-8)15(27)25-9-4-10(14(20)11(19)5-9)16(7-18)17(21,22)3-2-13(23)26-16/h4-6H,2-3,7H2,1H3,(H2,23,26)(H,25,27)/t16-/m1/s1 TXGMNDLMLSSDJP-MRXNPFEDSA-N 269494 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-2-methyloxazole-4-carboxamide ::US10058540, 10 Beta-secretase 1 Homo sapiens 55.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334255 378151584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510706 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C18H16F5N5O2/c1-30-14-7-25-12(6-26-14)16(29)27-9-4-10(15(21)11(20)5-9)17(8-19)18(22,23)3-2-13(24)28-17/h4-7H,2-3,8H2,1H3,(H2,24,28)(H,27,29)/t17-/m1/s1 QFCCTWFJQRIXMZ-QGZVFWFLSA-N 269495 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-methoxypyrazine-2-carboxamide ::US10058540, 11 Beta-secretase 1 Homo sapiens 14.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334305 378151585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510707 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(F)cn3)cc(F)c2F)C(F)(F)CC1 InChI=1S/C18H14F6N4O/c19-8-17(18(23,24)4-3-14(25)28-17)11-5-10(6-12(21)15(11)22)27-16(29)13-2-1-9(20)7-26-13/h1-2,5-7H,3-4,8H2,(H2,25,28)(H,27,29)/t17-/m1/s1 WKYPZLBJTZQTPX-QGZVFWFLSA-N 269496 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-fluoropicolinamide ::US10058540, 12 Beta-secretase 1 Homo sapiens 84.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334303 378151586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510708 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)C(F)(F)CC1 InChI=1S/C18H14ClF5N4O/c19-9-1-2-13(26-7-9)16(29)27-10-5-11(15(22)12(21)6-10)17(8-20)18(23,24)4-3-14(25)28-17/h1-2,5-7H,3-4,8H2,(H2,25,28)(H,27,29)/t17-/m1/s1 RIAITRPIYOMRPY-QGZVFWFLSA-N 269497 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-chloropicolinamide ::US10058540, 13 Beta-secretase 1 Homo sapiens 22.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334354 378151587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510709 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)cc(F)c2F)C(F)(F)CC1 InChI=1S/C19H14F5N5O/c20-9-18(19(23,24)4-3-15(26)29-18)12-5-11(6-13(21)16(12)22)28-17(30)14-2-1-10(7-25)8-27-14/h1-2,5-6,8H,3-4,9H2,(H2,26,29)(H,28,30)/t18-/m1/s1 CEPKQLPHFDLHIP-GOSISDBHSA-N 269498 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-cyanopicolinamide ::US10058540, 14 Beta-secretase 1 Homo sapiens 23.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334260 378151588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510710 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/t18-/m1/s1 DBPLGCLZFJNQQI-GOSISDBHSA-N 269499 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-methoxypicolinamide ::US10058540, 15::US10058540, 16 Beta-secretase 1 Homo sapiens 9.00 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342541 378151589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510711 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/t18-/m1/s1 DBPLGCLZFJNQQI-GOSISDBHSA-N 269499 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-methoxypicolinamide ::US10058540, 15::US10058540, 16 Beta-secretase 1 Homo sapiens 21.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121342541 378151589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510712 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F)C#N InChI=1S/C20H16F5N5O/c1-10-4-11(7-26)8-28-17(10)18(31)29-12-5-13(16(23)14(22)6-12)19(9-21)20(24,25)3-2-15(27)30-19/h4-6,8H,2-3,9H2,1H3,(H2,27,30)(H,29,31)/t19-/m1/s1 LMIGOORDVCJEAW-LJQANCHMSA-N 269501 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4,5-difluorophenyl)-5-cyano-3-methylpicolinamide ::US10058540, 17 Beta-secretase 1 Homo sapiens 16.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334335 378151590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510713 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F InChI=1S/C19H18F4N4O2/c1-29-12-3-5-15(25-9-12)17(28)26-11-2-4-14(21)13(8-11)18(10-20)19(22,23)7-6-16(24)27-18/h2-5,8-9H,6-7,10H2,1H3,(H2,24,27)(H,26,28)/t18-/m1/s1 NCIZADDAAFQNOA-GOSISDBHSA-N 269502 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-(methoxy-d3)picolinamide ::US10058540, 18 Beta-secretase 1 Homo sapiens 25.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136213606 378151591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 510714 NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H15BrF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1 RQWHBVQMBAWLCW-QGZVFWFLSA-N 269503 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-bromopicolinamide ::US10058540, 19 Beta-secretase 1 Homo sapiens 11.0 4.5 25.00 C US Patent 10.7270/Q2GB262J aid1795405 US10058540 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=269503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=269503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334258 378151592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486309 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)-n2cccn2)ccc1F InChI=1S/C25H25FN6O3/c1-31-23(33)19-13-21(15-3-4-15)34-14-25(19,30-24(31)27)18-12-17(5-6-20(18)26)35-22-11-16(7-9-28-22)32-10-2-8-29-32/h2,5-12,15,19,21H,3-4,13-14H2,1H3,(H2,27,30)/t19-,21+,25+/m0/s1 FSWLLLVMFNJJOV-PIBDYAPNSA-N 228030 US10047098, 56 Beta-secretase 1 Homo sapiens 9.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473623 374884968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486311 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OC2CC(F)(F)C2)ccc1F InChI=1S/C21H24F3N3O3/c1-27-18(28)15-7-17(11-2-3-11)29-10-21(15,26-19(27)25)14-6-12(4-5-16(14)22)30-13-8-20(23,24)9-13/h4-6,11,13,15,17H,2-3,7-10H2,1H3,(H2,25,26)/t15-,17+,21+/m0/s1 OCGHEMXCNCCFCN-LUQKVYGDSA-N 228031 US10047098, 57 Beta-secretase 1 Homo sapiens 43.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473620 374884969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486313 CN1C(=N)N[C@]2(CO[C@H](CC2C1=O)C1CC1)c1cc(Oc2ncncc2F)ccc1F InChI=1S/C21H21F2N5O3/c1-28-19(29)14-7-17(11-2-3-11)30-9-21(14,27-20(28)24)13-6-12(4-5-15(13)22)31-18-16(23)8-25-10-26-18/h4-6,8,10-11,14,17H,2-3,7,9H2,1H3,(H2,24,27)/t14?,17-,21-/m1/s1 FNEBTEGFFRVSOP-OOJFQMAISA-N 228032 US10047098, 58 Beta-secretase 1 Homo sapiens 13.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331746 374884970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486315 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)c(F)cc1F InChI=1S/C21H20F4N4O4/c1-29-19(30)13-4-11(8-31-2)32-9-21(13,28-20(29)26)12-5-16(15(24)6-14(12)23)33-17-3-10(22)7-27-18(17)25/h3,5-7,11,13H,4,8-9H2,1-2H3,(H2,26,28)/t11-,13+,21-/m1/s1 MXWOYPFCWXGUAA-FKQSZABXSA-N 228033 US10047098, 59 Beta-secretase 1 Homo sapiens 3.00 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462367 374884971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486317 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(C)cc2F)ccc1F InChI=1S/C23H24F2N4O3/c1-12-7-18(25)20(27-10-12)32-14-5-6-17(24)15(8-14)23-11-31-19(13-3-4-13)9-16(23)21(30)29(2)22(26)28-23/h5-8,10,13,16,19H,3-4,9,11H2,1-2H3,(H2,26,28)/t16-,19+,23+/m0/s1 UUODINZURHGQHB-XKDCRVNJSA-N 228034 US10047098, 60 Beta-secretase 1 Homo sapiens 121 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473624 374884972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486319 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C20H17F5N4O3/c1-29-18(30)12-6-15(16(24)25)31-8-20(12,28-19(29)26)11-5-10(2-3-13(11)22)32-17-14(23)4-9(21)7-27-17/h2-5,7,12,15-16H,6,8H2,1H3,(H2,26,28)/t12-,15+,20+/m0/s1 UDDVRYDFAFVYKC-PGICJIBASA-N 228035 US10047098, 61 Beta-secretase 1 Homo sapiens 41.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473622 374884973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486321 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(O)ccc1F InChI=1S/C15H18FN3O3/c1-8-5-11-13(21)19(2)14(17)18-15(11,7-22-8)10-6-9(20)3-4-12(10)16/h3-4,6,8,11,20H,5,7H2,1-2H3,(H2,17,18)/t8-,11-,15+/m0/s1 KVRJDMCWWRIZGI-PEGZWESCSA-N 228036 US10047098, 64 Beta-secretase 1 Homo sapiens 358 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86729411 374884974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486323 COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)n1 InChI=1S/C20H22FN5O4/c1-11-6-14-18(27)26(2)19(22)25-20(14,10-29-11)13-7-12(4-5-15(13)21)30-17-9-23-8-16(24-17)28-3/h4-5,7-9,11,14H,6,10H2,1-3H3,(H2,22,25)/t11-,14-,20+/m0/s1 XVLOAAIDAZKWDR-UHBVIIIMSA-N 228037 US10047098, 65 Beta-secretase 1 Homo sapiens 6.60 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86729413 374884975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486325 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccn2)ccc1F InChI=1S/C19H20FN5O3/c1-11-7-14-17(26)25(2)18(21)24-19(14,10-27-11)13-8-12(3-4-15(13)20)28-16-9-22-5-6-23-16/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,21,24)/t11-,14-,19+/m0/s1 PPOPRQRMXDLJFK-NXPJVHOHSA-N 228038 US10047098, 66 Beta-secretase 1 Homo sapiens 11.8 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86729414 374884976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486327 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(C)n2)ccc1F InChI=1S/C20H22FN5O3/c1-11-8-23-9-17(24-11)29-13-4-5-16(21)14(7-13)20-10-28-12(2)6-15(20)18(27)26(3)19(22)25-20/h4-5,7-9,12,15H,6,10H2,1-3H3,(H2,22,25)/t12-,15-,20+/m0/s1 XCYZCECBYYYMEH-NRKGENKXSA-N 228039 US10047098, 67 Beta-secretase 1 Homo sapiens 13.3 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473598 374884977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486329 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccc(F)cn2)ccc1F InChI=1S/C20H20F2N4O3/c1-11-7-15-18(27)26(2)19(23)25-20(15,10-28-11)14-8-13(4-5-16(14)22)29-17-6-3-12(21)9-24-17/h3-6,8-9,11,15H,7,10H2,1-2H3,(H2,23,25)/t11-,15-,20+/m0/s1 OKTSVCWCQOMADW-UYHHGJEOSA-N 228040 US10047098, 68 Beta-secretase 1 Homo sapiens 157 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86729415 374884978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486331 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncncc2F)ccc1F InChI=1S/C19H19F2N5O3/c1-10-5-13-17(27)26(2)18(22)25-19(13,8-28-10)12-6-11(3-4-14(12)20)29-16-15(21)7-23-9-24-16/h3-4,6-7,9-10,13H,5,8H2,1-2H3,(H2,22,25)/t10-,13-,19+/m0/s1 FYRKOIOLQIQLEH-WSHAHDTKSA-N 228041 US10047098, 69 Beta-secretase 1 Homo sapiens 11.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462244 374884979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486333 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2nccnc2C)ccc1F InChI=1S/C20H22FN5O3/c1-11-8-15-18(27)26(3)19(22)25-20(15,10-28-11)14-9-13(4-5-16(14)21)29-17-12(2)23-6-7-24-17/h4-7,9,11,15H,8,10H2,1-3H3,(H2,22,25)/t11-,15-,20+/m0/s1 KWMKTUUNBHQYMA-UYHHGJEOSA-N 228042 US10047098, 70 Beta-secretase 1 Homo sapiens 402 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462057 374884980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486335 COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)c1 InChI=1S/C21H23FN4O4/c1-12-8-16-19(27)26(2)20(23)25-21(16,11-29-12)15-9-14(4-5-17(15)22)30-18-10-13(28-3)6-7-24-18/h4-7,9-10,12,16H,8,11H2,1-3H3,(H2,23,25)/t12-,16-,21+/m0/s1 VXJSYEVMQIHXJU-LBJGKRIESA-N 228043 US10047098, 71 Beta-secretase 1 Homo sapiens 39.9 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462528 374884981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486337 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2Cl)ccc1F InChI=1S/C20H20ClFN4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-16(13)22)29-17-15(21)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1 MPMYXKPWNXPHGK-UHBVIIIMSA-N 228044 US10047098, 72 Beta-secretase 1 Homo sapiens 37.6 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462398 375076987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486339 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2C)ccc1F InChI=1S/C21H23FN4O3/c1-12-5-4-8-24-18(12)29-14-6-7-17(22)15(10-14)21-11-28-13(2)9-16(21)19(27)26(3)20(23)25-21/h4-8,10,13,16H,9,11H2,1-3H3,(H2,23,25)/t13-,16-,21+/m0/s1 DLAYSYYSFHNTLY-UYTHQXMGSA-N 228045 US10047098, 73 Beta-secretase 1 Homo sapiens 295 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473626 375076988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486341 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccncc2F)ccc1F InChI=1S/C20H20F2N4O3/c1-11-7-14-18(27)26(2)19(23)25-20(14,10-28-11)13-8-12(3-4-15(13)21)29-17-5-6-24-9-16(17)22/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1 BTRBKDUNBZYNMZ-UHBVIIIMSA-N 228046 US10047098, 74 Beta-secretase 1 Homo sapiens 44.3 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462502 375076989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486343 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccc2Cl)ccc1F InChI=1S/C20H20ClFN4O3/c1-11-7-14-18(27)26(2)19(23)25-20(14,10-28-11)13-8-12(3-4-16(13)22)29-17-9-24-6-5-15(17)21/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1 CAKNGAICVGTTOJ-UHBVIIIMSA-N 228047 US10047098, 75 Beta-secretase 1 Homo sapiens 58.2 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462058 375076990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486345 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccccn2)ccc1F InChI=1S/C20H21FN4O3/c1-12-9-15-18(26)25(2)19(22)24-20(15,11-27-12)14-10-13(6-7-16(14)21)28-17-5-3-4-8-23-17/h3-8,10,12,15H,9,11H2,1-2H3,(H2,22,24)/t12-,15-,20+/m0/s1 APEGKTYHDHGMKK-NRKGENKXSA-N 228048 US10047098, 76 Beta-secretase 1 Homo sapiens 31.7 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462215 375076991 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486347 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc3ccccc3cn2)ccc1F InChI=1S/C24H23FN4O3/c1-14-9-19-22(30)29(2)23(26)28-24(19,13-31-14)18-11-17(7-8-20(18)25)32-21-10-15-5-3-4-6-16(15)12-27-21/h3-8,10-12,14,19H,9,13H2,1-2H3,(H2,26,28)/t14-,19-,24+/m0/s1 HNIYAYQXHSUWDI-BSTGMLCMSA-N 228049 US10047098, 77 Beta-secretase 1 Homo sapiens 1454 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473455 375076992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486349 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(F)c2)ccc1F InChI=1S/C20H20F2N4O3/c1-11-5-16-18(27)26(2)19(23)25-20(16,10-28-11)15-7-13(3-4-17(15)22)29-14-6-12(21)8-24-9-14/h3-4,6-9,11,16H,5,10H2,1-2H3,(H2,23,25)/t11-,16-,20+/m0/s1 OIYMHMGKTPNAPS-XITNVPRNSA-N 228050 US10047098, 78 Beta-secretase 1 Homo sapiens 20.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462214 375076993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486351 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-17-16(23)6-11(21)8-25-17/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1 OCDQCVOMXQIOQL-ZNUZLIQOSA-N 228008 US10047098, 36::US10047098, 79 Beta-secretase 1 Homo sapiens 43.5 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473744 374884946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486353 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)ccc1F InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-16-6-11(21)8-25-17(16)23/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1 OMWGOLGOTCVVQB-ZNUZLIQOSA-N 228052 US10047098, 80 Beta-secretase 1 Homo sapiens 8.50 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473537 375076995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486355 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cccnc2)ccc1F InChI=1S/C20H21FN4O3/c1-12-8-16-18(26)25(2)19(22)24-20(16,11-27-12)15-9-13(5-6-17(15)21)28-14-4-3-7-23-10-14/h3-7,9-10,12,16H,8,11H2,1-2H3,(H2,22,24)/t12-,16-,20+/m0/s1 GIQNJTDYMYDSED-SLSDUTBNSA-N 228053 US10047098, 81 Beta-secretase 1 Homo sapiens 26.8 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462279 375076996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486357 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)ccc2F)ccc1F InChI=1S/C21H20F3N3O3/c1-11-7-15-19(28)27(2)20(25)26-21(15,10-29-11)14-9-13(4-6-16(14)23)30-18-8-12(22)3-5-17(18)24/h3-6,8-9,11,15H,7,10H2,1-2H3,(H2,25,26)/t11-,15-,21+/m0/s1 ROOLSEHAGCDPSC-DQLGPHAMSA-N 228054 US10047098, 82 Beta-secretase 1 Homo sapiens 45.7 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462208 375076997 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486359 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(Br)ccc1F InChI=1S/C20H18BrF2N3O2/c1-26-18(27)15-9-17(11-2-5-13(22)6-3-11)28-10-20(15,25-19(26)24)14-8-12(21)4-7-16(14)23/h2-8,15,17H,9-10H2,1H3,(H2,24,25)/t15-,17+,20+/m0/s1 SKZDRYFHZBARIE-XAUMDUMWSA-N 228055 US10047098, 83 Beta-secretase 1 Homo sapiens 60.5 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473543 375076998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486361 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(O)ccc1F InChI=1S/C20H19F2N3O3/c1-25-18(27)15-9-17(11-2-4-12(21)5-3-11)28-10-20(15,24-19(25)23)14-8-13(26)6-7-16(14)22/h2-8,15,17,26H,9-10H2,1H3,(H2,23,24)/t15-,17+,20+/m0/s1 FNVRKZGZEPXWMJ-XAUMDUMWSA-N 228056 US10047098, 84 Beta-secretase 1 Homo sapiens 70.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462281 375076999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486363 CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F InChI=1S/C24H25F2N3O3/c1-29-22(30)19-11-21(15-4-6-16(25)7-5-15)32-13-24(19,28-23(29)27)18-10-17(8-9-20(18)26)31-12-14-2-3-14/h4-10,14,19,21H,2-3,11-13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1 OREYUDLTBQMRAY-XZDHIHRUSA-N 228057 US10047098, 85 Beta-secretase 1 Homo sapiens 3.20 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462285 375077000 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486365 CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Br)ccc1F InChI=1S/C14H15BrFN3O2/c1-19-12(20)9-4-5-21-7-14(9,18-13(19)17)10-6-8(15)2-3-11(10)16/h2-3,6,9H,4-5,7H2,1H3,(H2,17,18)/t9-,14-/m0/s1 MPURLLWZGNOYII-XPTSAGLGSA-N 228058 US10047098, 86 Beta-secretase 1 Homo sapiens 1202 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473451 375077001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486367 CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C19H18F2N4O3/c1-25-17(26)12-6-8-27-10-19(12,24-18(25)22)13-9-11(4-5-14(13)20)28-16-15(21)3-2-7-23-16/h2-5,7,9,12H,6,8,10H2,1H3,(H2,22,24)/t12-,19-/m0/s1 KDBMQQCRDVDADY-BUXKBTBVSA-N 228059 US10047098, 87 Beta-secretase 1 Homo sapiens 27.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473452 375077002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486369 CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(OCC2CC2)ccc1F InChI=1S/C18H22FN3O3/c1-22-16(23)13-6-7-24-10-18(13,21-17(22)20)14-8-12(4-5-15(14)19)25-9-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,20,21)/t13-,18-/m0/s1 BMOQAXVOVWGXHF-UGSOOPFHSA-N 228060 US10047098, 88 Beta-secretase 1 Homo sapiens 44.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473453 375077003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486371 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F InChI=1S/C16H19BrFN3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-5-9(17)3-4-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1 ALMVURYVJCETEZ-RSAASHCRSA-N 228003 US10047098, 33::US10047098, 89 Beta-secretase 1 Homo sapiens 910 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462151 374884943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486373 COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F InChI=1S/C20H26FN3O4/c1-24-18(25)16-8-14(10-26-2)28-11-20(16,23-19(24)22)15-7-13(5-6-17(15)21)27-9-12-3-4-12/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H2,22,23)/t14-,16+,20-/m1/s1 MHJRFSUXUKZQFM-PTSWNOGYSA-N 228002 US10047098, 32::US10047098, 90 Beta-secretase 1 Homo sapiens 21.0 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473580 374884942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486375 COc1cc(c(F)cn1)[C@]12CO[C@@H](C)C[C@H]1C(=O)N(C)C(=N)N2 InChI=1S/C15H19FN4O3/c1-8-4-10-13(21)20(2)14(17)19-15(10,7-23-8)9-5-12(22-3)18-6-11(9)16/h5-6,8,10H,4,7H2,1-3H3,(H2,17,19)/t8-,10-,15+/m0/s1 XSKBYVFOMBLZTA-KPWYMIHSSA-N 228063 US10047098, 91 Beta-secretase 1 Homo sapiens 468 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90331801 375077006 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486377 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1 XHTUJRHTDXVYCK-SGJUXQJHSA-N 227991 US10047098, 23::US10047098, 92 Beta-secretase 1 Homo sapiens 11.1 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473434 374884931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486379 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCCC=C)ncc1F InChI=1S/C18H23FN4O3/c1-4-5-6-25-15-8-12(14(19)9-21-15)18-10-26-11(2)7-13(18)16(24)23(3)17(20)22-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,22)/t11-,13-,18+/m0/s1 PDYDILSFAGHKRH-RRUGBERISA-N 228065 US10047098, 93 Beta-secretase 1 Homo sapiens 16.1 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473547 375077008 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486381 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CC2CC2)cc1F InChI=1S/C18H23FN4O3/c1-10-5-13-16(25)22(2)17(20)21-18(13,9-26-10)12-6-15(24)23(8-14(12)19)7-11-3-4-11/h6,8,10-11,13H,3-5,7,9H2,1-2H3,(H2,20,21)/t10-,13-,18+/m0/s1 JMHCSDPMHNNNMA-OGJWQKAUSA-N 228066 US10047098, 94 Beta-secretase 1 Homo sapiens 4181 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473548 375077009 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486383 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CCC=C)cc1F InChI=1S/C18H23FN4O3/c1-4-5-6-23-9-14(19)12(8-15(23)24)18-10-26-11(2)7-13(18)16(25)22(3)17(20)21-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,21)/t11-,13-,18+/m0/s1 UVNMRTMDDORJBS-RRUGBERISA-N 228067 US10047098, 95 Beta-secretase 1 Homo sapiens 8404 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473673 375077010 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 486385 C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ncc1F InChI=1S/C19H19F2N5O3/c1-10-6-12-17(27)26(2)18(22)25-19(12,9-28-10)11-7-15(24-8-14(11)21)29-16-13(20)4-3-5-23-16/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,22,25)/t10-,12-,19+/m0/s1 MLIDTEFWYFWTME-MAZUYXTBSA-N 228068 US10047098, 96 Beta-secretase 1 Homo sapiens 145 5 US Patent 10.7270/Q2V69MMC aid1795117 US10047098 Dai, X; Cumming, JN; Liu, H; Scott, JD Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462242 375077011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50550599 N[C@@H](Cc1c[nH]c2ccccc12)Cn1cc(nn1)-c1ccc(Cl)c(Cl)c1 InChI=1S/C19H17Cl2N5/c20-16-6-5-12(8-17(16)21)19-11-26(25-24-19)10-14(22)7-13-9-23-18-4-2-1-3-15(13)18/h1-6,8-9,11,14,23H,7,10,22H2/t14-/m0/s1 WGRLNCTVKFHINW-AWEZNQCLSA-N 50209784 CHEMBL3884069 Beta-secretase 1 Homo sapiens 20750 ChEMBL 10.1016/j.bmc.2016.12.027 10.7270/Q2K07675 28043778 Jiaranaikulwanitch, J; Tadtong, S; Govitrapong, P; Fokin, VV; Vajragupta, O Chiang Mai University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134130905 375982466 CHEMBL3884069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50550600 Oc1ccc(\C=C\C(=O)NCc2cn(C[C@@H]3Cc4c(CN3)[nH]c3ccccc43)nn2)cc1O InChI=1S/C24H24N6O3/c31-22-7-5-15(9-23(22)32)6-8-24(33)26-11-17-14-30(29-28-17)13-16-10-19-18-3-1-2-4-20(18)27-21(19)12-25-16/h1-9,14,16,25,27,31-32H,10-13H2,(H,26,33)/b8-6+/t16-/m0/s1 COAMHZJQGVWEHK-BVBGJJFLSA-N 50209785 CHEMBL3884327 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1016/j.bmc.2016.12.027 10.7270/Q2K07675 28043778 Jiaranaikulwanitch, J; Tadtong, S; Govitrapong, P; Fokin, VV; Vajragupta, O Chiang Mai University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134130755 375982467 CHEMBL3884327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50550601 OC[C@@H]1Cc2c(CN1Cc1cn(C[C@@H]3Cc4c(CN3)[nH]c3ccccc43)nn1)[nH]c1ccccc21 InChI=1S/C27H29N7O/c35-16-19-10-23-21-6-2-4-8-25(21)30-27(23)15-33(19)12-18-14-34(32-31-18)13-17-9-22-20-5-1-3-7-24(20)29-26(22)11-28-17/h1-8,14,17,19,28-30,35H,9-13,15-16H2/t17-,19-/m0/s1 VMHAGOQRZSEUCK-HKUYNNGSSA-N 50209786 CHEMBL3883958 Beta-secretase 1 Homo sapiens 16730 ChEMBL 10.1016/j.bmc.2016.12.027 10.7270/Q2K07675 28043778 Jiaranaikulwanitch, J; Tadtong, S; Govitrapong, P; Fokin, VV; Vajragupta, O Chiang Mai University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132547257 375982468 CHEMBL3883958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482810 CC1(C)C[C@](C)(NC(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H22FN5O2/c1-19(2)11-20(3,26-18(23)28-19)14-8-13(5-6-15(14)21)25-17(27)16-7-4-12(9-22)10-24-16/h4-8,10,18,26H,11,23H2,1-3H3,(H,25,27)/t18?,20-/m0/s1 CAUUXWGRBCRNEV-IJHRGXPZSA-N 204932 I-1 Beta-secretase 1 Homo sapiens 94.2 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134814203 375976914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482811 CC12OC1[C@](CF)(NC(N)O2)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F2N5O3/c1-18-16(28-18)19(9-20,26-17(23)29-18)12-6-11(3-4-13(12)21)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8,16-17,26H,9,23H2,1H3,(H,25,27)/t16?,17?,18?,19-/m1/s1 NBEDXMMODRCRSS-GLCUGAKSSA-N 204933 I-2 Beta-secretase 1 Homo sapiens 77.3 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134814204 375976915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482812 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CC(C)(C)OC(N)N1)C(F)F)C#N InChI=1S/C21H22F3N5O2/c1-11-6-12(8-25)9-27-16(11)17(30)28-13-4-5-15(22)14(7-13)21(18(23)24)10-20(2,3)31-19(26)29-21/h4-7,9,18-19,29H,10,26H2,1-3H3,(H,28,30)/t19?,21-/m0/s1 JBNHMGYCCAOTHW-QWAKEFERSA-N 204934 I-4 Beta-secretase 1 Homo sapiens 90.2 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134814205 375976916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482813 NC1=CC(CCCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F3N4O2/c21-15-4-3-13(27-18(28)16-5-2-12(10-24)11-26-16)8-14(15)20(19(22)23)6-1-7-29-17(25)9-20/h2-5,8-9,11,19H,1,6-7,25H2,(H,27,28) QMYTZBWROMULLK-UHFFFAOYSA-N 204935 I-13 Beta-secretase 1 Homo sapiens 153 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399598 375976917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482814 NC1=N[C@](CCO1)(C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H13FN6O2/c19-14-3-2-12(24-16(26)15-4-1-11(8-20)9-23-15)7-13(14)18(10-21)5-6-27-17(22)25-18/h1-4,7,9H,5-6H2,(H2,22,25)(H,24,26)/t18-/m1/s1 CUJSBKBIJKEMQZ-GOSISDBHSA-N 204938 I-14 Beta-secretase 1 Homo sapiens 96.8 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134814206 375976918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482815 NC1=N[C@@](C#C)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H14FN5O2/c1-2-20(14-8-17(14)28-19(23)26-20)13-7-12(4-5-15(13)21)25-18(27)16-6-3-11(9-22)10-24-16/h1,3-7,10,14,17H,8H2,(H2,23,26)(H,25,27)/t14-,17+,20+/m0/s1 USKPPLKTZAAGIU-JNAXZKDPSA-N 204939 I-21 Beta-secretase 1 Homo sapiens 65.4 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399560 375976919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482816 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-19(16(22)15(7-20)29-18(24)27-19)12-6-11(3-4-13(12)21)26-17(28)14-5-2-10(8-23)9-25-14/h2-6,9,15-16H,7H2,1H3,(H2,24,27)(H,26,28)/t15-,16+,19-/m1/s1 WGFFOASKSASUPL-JTDSTZFVSA-N 204940 I-25 Beta-secretase 1 Homo sapiens 22.8 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222429 375976920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482817 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)10-4-9(2-3-11(10)21)26-16(28)12-6-25-14(7-24-12)29-8-20/h2-4,6-7,13,15H,5,8H2,1H3,(H2,23,27)(H,26,28)/t13-,15+,18-/m1/s1 CZFHVTRHAUEYMV-QIIPPGSGSA-N 204994 I-27 Beta-secretase 1 Homo sapiens 35.5 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399612 375976921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482818 CO[C@H]1[C@@H](CF)OC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O3/c1-20(17(29-2)16(8-21)30-19(24)27-20)13-7-12(4-5-14(13)22)26-18(28)15-6-3-11(9-23)10-25-15/h3-7,10,16-17H,8H2,1-2H3,(H2,24,27)(H,26,28)/t16-,17+,20-/m1/s1 OKVDXCCPCFSPRO-FUHIMQAGSA-N 204996 I-28 Beta-secretase 1 Homo sapiens 27.6 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399566 375976922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482819 COC[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O3/c1-20(17(22)16(10-29-2)30-19(24)27-20)13-7-12(4-5-14(13)21)26-18(28)15-6-3-11(8-23)9-25-15/h3-7,9,16-17H,10H2,1-2H3,(H2,24,27)(H,26,28)/t16-,17+,20-/m1/s1 RTRLKXJUOZLFHE-FUHIMQAGSA-N 204998 I-29 Beta-secretase 1 Homo sapiens 25.8 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399626 375976923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482820 C[C@]1(CC2(COC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18FN5O3/c1-19(9-20(10-28-11-20)29-18(23)26-19)14-6-13(3-4-15(14)21)25-17(27)16-5-2-12(7-22)8-24-16/h2-6,8H,9-11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 ASNPQHDANJEQLU-IBGZPJMESA-N 204999 I-56 Beta-secretase 1 Homo sapiens 25 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204999&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399653 375976924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482821 NC1=N[C@@](C#C)([C@H]2COC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H17F2N5O4/c1-2-20(13-8-29-9-16(13)31-19(23)27-20)12-5-11(3-4-14(12)22)26-18(28)15-6-25-17(7-24-15)30-10-21/h1,3-7,13,16H,8-10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 SOYARSISURDFSW-GQWAEJPESA-N 205000 I-72 Beta-secretase 1 Homo sapiens 13.6 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399639 375976925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482822 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C17H15F5N4O3/c1-17(12(20)11(5-18)29-16(23)26-17)8-4-7(2-3-9(8)19)24-14(27)10-6-28-15(25-10)13(21)22/h2-4,6,11-13H,5H2,1H3,(H2,23,26)(H,24,27)/t11-,12+,17-/m1/s1 WCEJZWFSSCZALB-BWACUDIHSA-N 205001 I-86 Beta-secretase 1 Homo sapiens 32.9 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399723 375976926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482823 C[C@@]1(N=C(N)OC2(COC2)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F2N5O3/c1-19(17(22)20(9-29-10-20)30-18(24)27-19)13-6-12(3-4-14(13)21)26-16(28)15-5-2-11(7-23)8-25-15/h2-6,8,17H,9-10H2,1H3,(H2,24,27)(H,26,28)/t17-,19-/m1/s1 CAOIKBMZGWUTGW-IEBWSBKVSA-N 205002 I-95 Beta-secretase 1 Homo sapiens 20.7 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399736 375976927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 482824 C[C@H]1OC(N)=N[C@@](CF)([C@H]1CF)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18F3N5O2/c1-11-15(7-21)20(10-22,28-19(25)30-11)14-6-13(3-4-16(14)23)27-18(29)17-5-2-12(8-24)9-26-17/h2-6,9,11,15H,7,10H2,1H3,(H2,25,28)(H,27,29)/t11-,15+,20-/m1/s1 BQBBOJMULMDYEB-LQGCGHSZSA-N 205003 I-100 Beta-secretase 1 Homo sapiens 113 5 30.00 C US Patent 10.7270/Q21V5H0N aid1795096 US9540359 Kusakabe, K; Yoshida, S; Nakahara, K; Hasegawa, T; Tadano, G; Fuchino, K Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399641 375976928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529660 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2S/c20-15-3-2-13(24-17(26)16-4-1-11(8-21)9-23-16)7-14(15)19-12(5-6-27-19)10-28-18(22)25-19/h1-4,7,9,12H,5-6,10H2,(H2,22,25)(H,24,26)/t12-,19+/m0/s1 HYMAQOIAWBBUEQ-HXPMCKFVSA-N 50203703 CHEMBL3980733 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762160 375980193 CHEMBL3980733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529661 NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 NIDRNVHMMDAAIK-YPMLDQLKSA-N 50012647 CHEMBL2396989 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3YS 4X7I 49837968 103924900 CHEMBL2396989 ZINC29415484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529662 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccccn2)ccc1F InChI=1S/C18H17FN4O2S/c19-14-5-4-12(22-16(24)15-3-1-2-7-21-15)9-13(14)18-11(6-8-25-18)10-26-17(20)23-18/h1-5,7,9,11H,6,8,10H2,(H2,20,23)(H,22,24)/t11-,18+/m0/s1 JTMLYHWFKNEJFA-BBATYDOGSA-N 50203704 CHEMBL3897492 Beta-secretase 1 Homo sapiens 860 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762162 375980194 CHEMBL3897492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529663 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 NWARWEGTXXMRLX-XTZNXHDOSA-N 50203705 CHEMBL3959813 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762161 375980195 CHEMBL3959813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529664 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H16ClFN4O2S/c19-12-1-2-15(22-8-12)16(25)23-14-6-11(5-13(20)7-14)18-10(3-4-26-18)9-27-17(21)24-18/h1-2,5-8,10H,3-4,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 FCQIBOAFXQYMPL-XTZNXHDOSA-N 50203706 CHEMBL3900541 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134133911 375980196 CHEMBL3900541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529665 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(F)cc(NC(=O)c2ccc(F)cn2)c1 InChI=1S/C18H16F2N4O2S/c19-12-1-2-15(22-8-12)16(25)23-14-6-11(5-13(20)7-14)18-10(3-4-26-18)9-27-17(21)24-18/h1-2,5-8,10H,3-4,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 DNDJOTIQAMAWJC-XTZNXHDOSA-N 50203707 CHEMBL3928503 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134141814 375980197 CHEMBL3928503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529666 NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 NIDRNVHMMDAAIK-YPMLDQLKSA-N 50012647 CHEMBL2396989 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3YS 4X7I 49837968 103924900 CHEMBL2396989 ZINC29415484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529667 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529668 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 DACRJCISVSMZQT-XTZNXHDOSA-N 50203708 CHEMBL3919597 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7H3 5TOL 89576898 375980198 CHEMBL3919597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529669 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2FN4O2S/c19-10-5-13(20)15(23-7-10)16(26)24-11-1-2-14(21)12(6-11)18-9(3-4-27-18)8-28-17(22)25-18/h1-2,5-7,9H,3-4,8H2,(H2,22,25)(H,24,26)/t9-,18+/m0/s1 JSQMALFUWKNJFX-NIVTXAMTSA-N 50203709 CHEMBL3909581 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134131775 375980199 CHEMBL3909581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529670 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 IRMOIEQGSGUCMN-XTZNXHDOSA-N 50203710 CHEMBL3891534 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71479644 375980200 CHEMBL3891534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529671 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ncccc2F)ccc1F InChI=1S/C18H16F2N4O2S/c19-13-4-3-11(23-16(25)15-14(20)2-1-6-22-15)8-12(13)18-10(5-7-26-18)9-27-17(21)24-18/h1-4,6,8,10H,5,7,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 DTVMUOCNKLZDSQ-XTZNXHDOSA-N 50203711 CHEMBL3890737 Beta-secretase 1 Homo sapiens 510 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762166 375980201 CHEMBL3890737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529672 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12OCC[C@H]1CSC(N)=N2 InChI=1S/C18H18FN5O3S/c1-26-15-8-21-14(7-22-15)16(25)23-11-2-3-13(19)12(6-11)18-10(4-5-27-18)9-28-17(20)24-18/h2-3,6-8,10H,4-5,9H2,1H3,(H2,20,24)(H,23,25)/t10-,18+/m0/s1 LSQJEWFBHOUVNO-XTZNXHDOSA-N 50203712 CHEMBL3986498 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134156261 375980202 CHEMBL3986498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50529673 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C19H17F3N4O3S/c20-14-3-1-11(25-16(27)15-4-2-12(8-24-15)29-17(21)22)7-13(14)19-10(5-6-28-19)9-30-18(23)26-19/h1-4,7-8,10,17H,5-6,9H2,(H2,23,26)(H,25,27)/t10-,19+/m0/s1 QPKXZCVPZROCAR-APBUJDDRSA-N 50203713 CHEMBL3910646 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2016.10.055 10.7270/Q2W66NRR 27816517 Wu, YJ; Guernon, J; Rajamani, R; Toyn, JH; Ahlijanian, MK; Albright, CF; Muckelbauer, J; Chang, C; Camac, D; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762164 375980203 CHEMBL3910646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50553605 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.ejmech.2016.09.078 10.7270/Q22Z17QK 27721153 Panek, D; Wieckowska, A; Wichur, T; Bajda, M; Godyn, J; Jonczyk, J; Mika, K; Janockova, J; Soukup, O; Knez, D; Korabecny, J; Gobec, S; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50553610 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)\C=C\c3cc(F)cc(F)c3)ccc2oc1=O InChI=1S/C36H32F2N2O4/c1-2-40(23-25-6-4-3-5-7-25)24-26-8-11-28(12-9-26)33-21-29-20-32(13-14-34(29)44-36(33)42)43-17-16-39-35(41)15-10-27-18-30(37)22-31(38)19-27/h3-15,18-22H,2,16-17,23-24H2,1H3,(H,39,41)/b15-10+ OWHHSAFAYNBMOB-XNTDXEJSSA-N 50371473 CHEMBL239046 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1016/j.ejmech.2016.09.078 10.7270/Q22Z17QK 27721153 Panek, D; Wieckowska, A; Wichur, T; Bajda, M; Godyn, J; Jonczyk, J; Mika, K; Janockova, J; Soukup, O; Knez, D; Korabecny, J; Gobec, S; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50371473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50371473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24936061 160850574 CHEMBL239046 ZINC29130307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525134 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C20H18FN7O2S/c1-20(11-31(29,30)28(3)19(22)27-20)15-9-13(4-5-16(15)21)26-18-17-12(6-7-24-18)8-14(23-2)10-25-17/h4-10H,11H2,1,3H3,(H2,22,27)(H,24,26)/t20-/m0/s1 SBOOCSOKIQKLPY-FQEVSTJZSA-N 276791 8-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}amino)-1,7-naphthyridine-3-carbonitrile::US10071998, Example 6 Beta-secretase 1 Homo sapiens 1.31 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214429 378158448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525136 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C19H17FN8O2S/c1-19(9-31(29,30)28(3)18(21)27-19)13-6-11(4-5-14(13)20)26-17-16-15(24-10-25-17)7-12(22-2)8-23-16/h4-8,10H,9H2,1,3H3,(H2,21,27)(H,24,25,26)/t19-/m0/s1 RRNBDRLPMVARJO-IBGZPJMESA-N 276792 4-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}amino)pyrido[3,2-d]pyrimidine-7-carbonitrile::US10071998, Example 7 Beta-secretase 1 Homo sapiens 3.20 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214430 378158449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525138 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F InChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1 ILDBHCXYFTUYOS-IBGZPJMESA-N 276793 3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-1,7-naphthyridin-8-amine::US10071998, Example 8 Beta-secretase 1 Homo sapiens 2.10 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435132 378158450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525140 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2n1 InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)12-8-11(4-5-13(12)20)24-17-16-14(6-7-22-17)25-15(30-3)9-23-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,24)/t19-/m0/s1 MJFKTBQUUWGCDD-IBGZPJMESA-N 276794 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-2-methoxypyrido[3,4-b]pyrazin-5-amine::US10071998, Example 9 Beta-secretase 1 Homo sapiens 2.60 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435063 378158451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525142 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1 InChI=1S/C18H19FN8O3S/c1-18(8-31(28,29)27(2)17(20)26-18)11-5-14(21-7-12(11)19)25-16-15-13(23-9-24-16)4-10(30-3)6-22-15/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,21,23,24,25)/t18-/m0/s1 ANUKDYGGGASHSK-SFHVURJKSA-N 276795 N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]pyridin-2-yl}-2-methoxypyrido[3,4-b]pyrazin-5-amine::US10071998, Example 10 Beta-secretase 1 Homo sapiens 19.3 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435118 378158452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525144 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(Nc2nccc3cc(cnc23)[N+]#[C-])c1F InChI=1S/C20H17F2N7O2S/c1-20(10-32(30,31)29(3)19(23)28-20)15-13(21)4-5-14(16(15)22)27-18-17-11(6-7-25-18)8-12(24-2)9-26-17/h4-9H,10H2,1,3H3,(H2,23,28)(H,25,27)/t20-/m0/s1 VPVXNJPVCHXXDB-FQEVSTJZSA-N 276796 8-({2,4-difluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}amino)-1,7-naphthyridine-3-carbonitrile::US10071998, Example 11 Beta-secretase 1 Homo sapiens 2.10 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214431 378158453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525146 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)F)ccc1F InChI=1S/C19H18F3N7O2S/c1-19(9-32(30,31)29(2)18(23)28-19)11-7-10(3-4-12(11)20)26-17-15-13(5-6-24-17)27-14(8-25-15)16(21)22/h3-8,16H,9H2,1-2H3,(H2,23,28)(H,24,26)/t19-/m0/s1 WOUMKNJAFGUMDR-IBGZPJMESA-N 276797 2-(difluoromethyl)-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}pyrido[3,4-b]pyrazin-5-amine::US10071998, Example 12 Beta-secretase 1 Homo sapiens 5.20 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435120 378158454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525148 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2n1 InChI=1S/C18H19FN8O3S/c1-18(8-31(28,29)27(2)17(20)26-18)11-6-10(4-5-12(11)19)24-15-14-16(23-9-22-15)25-13(30-3)7-21-14/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,22,23,24,25)/t18-/m0/s1 ABYZMGTWHCRYBZ-SFHVURJKSA-N 276798 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-7-methoxypteridin-4-amine::US10071998, Example 13 Beta-secretase 1 Homo sapiens 10.6 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435121 378158455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525150 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1 InChI=1S/C19H20FN7O3S/c1-19(9-31(28,29)27(2)18(21)26-19)13-6-11(4-5-14(13)20)25-17-16-15(23-10-24-17)7-12(30-3)8-22-16/h4-8,10H,9H2,1-3H3,(H2,21,26)(H,23,24,25)/t19-/m0/s1 OLNCEEMYACPFFF-IBGZPJMESA-N 276799 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-7-methoxypyrido[3,2-d]pyrimidin-4-amine::US10071998, Example 14 Beta-secretase 1 Homo sapiens 4.30 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435119 378158456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525152 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(Cl)cc23)ccc1F InChI=1S/C19H21ClFN5O2S/c1-19(10-29(27,28)26(2)18(22)25-19)14-8-12(3-4-15(14)21)24-17-6-5-16-13(17)7-11(20)9-23-16/h3-4,7-9,17,24H,5-6,10H2,1-2H3,(H2,22,25)/t17-,19+/m1/s1 AWMWBVLHSLMMBZ-MJGOQNOKSA-N 276800 (R)-5-(5-(((R)-3-chloro-6,7-dihydro-5H-cyc1openta[b]pyridin-5-yl)amino)-2-fluorophenyl)-3-imino-2,5-dimethyl-1,2,4-thiadiazinane 1,1-dioxide::US10071998, Example 15 Beta-secretase 1 Homo sapiens 41.2 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435135 378158457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525154 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(cc23)C(F)(F)F)ccc1F InChI=1S/C20H21F4N5O2S/c1-19(10-32(30,31)29(2)18(25)28-19)14-8-12(3-4-15(14)21)27-17-6-5-16-13(17)7-11(9-26-16)20(22,23)24/h3-4,7-9,17,27H,5-6,10H2,1-2H3,(H2,25,28)/t17-,19+/m1/s1 YOWWYWVVJYJYSO-MJGOQNOKSA-N 276801 (R)-5-(2-fluoro-5-(((R)-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino)phenyl)-3-imino-2,5-dimethyl-1,2,4-thiadiazinane 1,1-dioxide::US10071998, Example 16 Beta-secretase 1 Homo sapiens 57.3 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435131 378158458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525156 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(Cl)ccc23)ccc1F InChI=1S/C20H22ClFN4O2S/c1-20(11-29(27,28)26(2)19(23)25-20)16-10-14(5-7-17(16)22)24-18-8-3-12-9-13(21)4-6-15(12)18/h4-7,9-10,18,24H,3,8,11H2,1-2H3,(H2,23,25)/t18-,20-/m0/s1 DLNOZHRWIDUXQZ-ICSRJNTNSA-N 276802 (R)-5-(5-(((S)-5-chloro-2,3-dihydro-1H-inden-1-yl)amino)-2-fluorophenyl)-3-imino-2,5-dimethyl-1,2,4-thiadiazinane 1,1-dioxide::US10071998, Example 17 Beta-secretase 1 Homo sapiens 10.2 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435127 378158459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525158 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C20H21FN6O2S/c1-20(11-30(28,29)27(3)19(22)26-20)15-9-13(5-6-16(15)21)25-17-7-4-12-8-14(23-2)10-24-18(12)17/h5-6,8-10,17,25H,4,7,11H2,1,3H3,(H2,22,26)/t17-,20-/m0/s1 ZIALEYRTTBBAOQ-PXNSSMCTSA-N 276803 (S)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl)amino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::US10071998, Example 18 Beta-secretase 1 Homo sapiens 3.10 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214432 378158460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525160 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C20H21FN6O2S/c1-20(11-30(28,29)27(3)19(22)26-20)15-9-13(5-6-16(15)21)25-17-7-4-12-8-14(23-2)10-24-18(12)17/h5-6,8-10,17,25H,4,7,11H2,1,3H3,(H2,22,26)/t17-,20+/m1/s1 ZIALEYRTTBBAOQ-XLIONFOSSA-N 276804 (R)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl)amino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::US10071998, Example 19 Beta-secretase 1 Homo sapiens 81.0 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214433 378158461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525162 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F InChI=1S/C20H23BrFN5O2S/c1-20(11-30(28,29)27(2)19(23)26-20)15-9-14(6-7-16(15)22)25-17-5-3-4-12-8-13(21)10-24-18(12)17/h6-10,17,25H,3-5,11H2,1-2H3,(H2,23,26)/t17-,20-/m0/s1 JNQRYCQUQDUDHP-PXNSSMCTSA-N 276805 (R)-5-(5-(((S)-3-bromo-5,6,7,8-tetrahydroquinolin-8-yl)amino)-2-fluorophenyl)-3-imino-2,5-dimethyl-1,2,4-thiadiazinane 1,1-dioxide::US10071998, Example 20 Beta-secretase 1 Homo sapiens 128 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435122 378158462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525164 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1 InChI=1S/C20H21FN6O3S/c1-20(11-31(28,29)27(2)19(22)26-20)15-9-13(4-5-16(15)21)25-18-17-12(6-7-23-18)8-14(30-3)10-24-17/h4-10H,11H2,1-3H3,(H2,22,26)(H,23,25)/t20-/m0/s1 QBRFLMCPVOBSGI-FQEVSTJZSA-N 276789 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-3-methoxy-1,7-naphthyridin-8-amine::US10071998, Example 4 Beta-secretase 1 Homo sapiens 12.0 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435134 378158446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525165 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C20H18FN7O2S/c1-20(11-31(29,30)28(3)19(22)27-20)15-9-13(4-5-16(15)21)26-18-17-12(6-7-24-18)8-14(23-2)10-25-17/h4-10H,11H2,1,3H3,(H2,22,27)(H,24,26)/t20-/m0/s1 SBOOCSOKIQKLPY-FQEVSTJZSA-N 276791 8-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}amino)-1,7-naphthyridine-3-carbonitrile::US10071998, Example 6 Beta-secretase 1 Homo sapiens 1.30 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214429 378158448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525166 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F InChI=1S/C19H17FN8O2S/c1-19(9-31(29,30)28(3)18(21)27-19)13-6-11(4-5-14(13)20)26-17-16-15(24-10-25-17)7-12(22-2)8-23-16/h4-8,10H,9H2,1,3H3,(H2,21,27)(H,24,25,26)/t19-/m0/s1 RRNBDRLPMVARJO-IBGZPJMESA-N 276792 4-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}amino)pyrido[3,2-d]pyrimidine-7-carbonitrile::US10071998, Example 7 Beta-secretase 1 Homo sapiens 3.20 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214430 378158449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525167 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F InChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1 ILDBHCXYFTUYOS-IBGZPJMESA-N 276793 3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-1,7-naphthyridin-8-amine::US10071998, Example 8 Beta-secretase 1 Homo sapiens 2.10 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435132 378158450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525168 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2n1 InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)12-8-11(4-5-13(12)20)24-17-16-14(6-7-22-17)25-15(30-3)9-23-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,24)/t19-/m0/s1 MJFKTBQUUWGCDD-IBGZPJMESA-N 276794 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-2-methoxypyrido[3,4-b]pyrazin-5-amine::US10071998, Example 9 Beta-secretase 1 Homo sapiens 2.60 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435063 378158451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525169 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(Nc2nccc3cc(cnc23)[N+]#[C-])c1F InChI=1S/C20H17F2N7O2S/c1-20(10-32(30,31)29(3)19(23)28-20)15-13(21)4-5-14(16(15)22)27-18-17-11(6-7-25-18)8-12(24-2)9-26-17/h4-9H,10H2,1,3H3,(H2,23,28)(H,25,27)/t20-/m0/s1 VPVXNJPVCHXXDB-FQEVSTJZSA-N 276796 8-({2,4-difluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}amino)-1,7-naphthyridine-3-carbonitrile::US10071998, Example 11 Beta-secretase 1 Homo sapiens 2.10 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214431 378158453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525170 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)F)ccc1F InChI=1S/C19H18F3N7O2S/c1-19(9-32(30,31)29(2)18(23)28-19)11-7-10(3-4-12(11)20)26-17-15-13(5-6-24-17)27-14(8-25-15)16(21)22/h3-8,16H,9H2,1-2H3,(H2,23,28)(H,24,26)/t19-/m0/s1 WOUMKNJAFGUMDR-IBGZPJMESA-N 276797 2-(difluoromethyl)-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}pyrido[3,4-b]pyrazin-5-amine::US10071998, Example 12 Beta-secretase 1 Homo sapiens 5.20 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435120 378158454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525171 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1 InChI=1S/C19H20FN7O3S/c1-19(9-31(28,29)27(2)18(21)26-19)13-6-11(4-5-14(13)20)25-17-16-15(23-10-24-17)7-12(30-3)8-22-16/h4-8,10H,9H2,1-3H3,(H2,21,26)(H,23,24,25)/t19-/m0/s1 OLNCEEMYACPFFF-IBGZPJMESA-N 276799 N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-7-methoxypyrido[3,2-d]pyrimidin-4-amine::US10071998, Example 14 Beta-secretase 1 Homo sapiens 4.30 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435119 378158456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525172 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2cccc3OC(F)(F)Oc23)ccc1F InChI=1S/C18H17F3N4O4S/c1-17(9-30(26,27)25(2)16(22)24-17)11-8-10(6-7-12(11)19)23-13-4-3-5-14-15(13)29-18(20,21)28-14/h3-8,23H,9H2,1-2H3,(H2,22,24)/t17-/m0/s1 HAAGHIKJWMPFPY-KRWDZBQOSA-N 276806 WO2011044181, Example 103 Beta-secretase 1 Homo sapiens 42.0 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51352184 378158463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525173 COc1ccccc1Nc1cccc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C18H22N4O3S/c1-18(12-26(23,24)22(2)17(19)21-18)13-7-6-8-14(11-13)20-15-9-4-5-10-16(15)25-3/h4-11,20H,12H2,1-3H3,(H2,19,21)/t18-/m0/s1 RDHIEVYDXQWQHJ-SFHVURJKSA-N 276807 WO2011044181, Example 103a Beta-secretase 1 Homo sapiens 69.0 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435166 378158464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525174 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2ccccc2C#N)n1 InChI=1S/C17H18N6O2S/c1-17(11-26(24,25)23(2)16(19)22-17)14-8-5-9-15(21-14)20-13-7-4-3-6-12(13)10-18/h3-9H,11H2,1-2H3,(H2,19,22)(H,20,21)/t17-/m0/s1 VVOYRJHHYOAHHJ-KRWDZBQOSA-N 276808 WO2011044181, Example 103b Beta-secretase 1 Homo sapiens 514 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435162 378158465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525175 COc1ccccc1Nc1cccc(n1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H21N5O3S/c1-17(11-26(23,24)22(2)16(18)21-17)14-9-6-10-15(20-14)19-12-7-4-5-8-13(12)25-3/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20)/t17-/m0/s1 MPYGEGSNBUPDOQ-KRWDZBQOSA-N 276809 WO2011044181, Example 162 Beta-secretase 1 Homo sapiens 3756 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111707 378158466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525176 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2cccc3OC(F)(F)Oc23)n1 InChI=1S/C17H17F2N5O4S/c1-16(9-29(25,26)24(2)15(20)23-16)12-7-4-8-13(22-12)21-10-5-3-6-11-14(10)28-17(18,19)27-11/h3-8H,9H2,1-2H3,(H2,20,23)(H,21,22)/t16-/m0/s1 NCKFQUFSLHNICZ-INIZCTEOSA-N 276810 WO2011044181, Example 163 Beta-secretase 1 Homo sapiens 4695 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111635 378158467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525177 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2ncccc2C#N)n1 InChI=1S/C16H17N7O2S/c1-16(10-26(24,25)23(2)15(18)22-16)12-6-3-7-13(20-12)21-14-11(9-17)5-4-8-19-14/h3-8H,10H2,1-2H3,(H2,18,22)(H,19,20,21)/t16-/m0/s1 NVWZDEAOARKBFB-INIZCTEOSA-N 276811 WO2011044181, Example 164 Beta-secretase 1 Homo sapiens 508 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111639 378158468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525178 COc1cccnc1Nc1ccnc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C16H20N6O3S/c1-16(10-26(23,24)22(2)15(17)21-16)13-9-11(6-8-18-13)20-14-12(25-3)5-4-7-19-14/h4-9H,10H2,1-3H3,(H2,17,21)(H,18,19,20)/t16-/m0/s1 PRBDLUPMMVCGBJ-INIZCTEOSA-N 276812 WO2011044181, Example 165 Beta-secretase 1 Homo sapiens 48.0 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111637 378158469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525179 COc1cccnc1Nc1ccnc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C16H20N6O3S/c1-16(10-26(23,24)22(2)15(17)21-16)13-9-11(6-8-18-13)20-14-12(25-3)5-4-7-19-14/h4-9H,10H2,1-3H3,(H2,17,21)(H,18,19,20)/t16-/m0/s1 PRBDLUPMMVCGBJ-INIZCTEOSA-N 276812 WO2011044181, Example 165 Beta-secretase 1 Homo sapiens 2592 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111637 378158469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525180 COc1cccnc1Nc1cc(ccn1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C16H20N6O3S/c1-16(10-26(23,24)22(2)15(17)21-16)11-6-8-18-13(9-11)20-14-12(25-3)5-4-7-19-14/h4-9H,10H2,1-3H3,(H2,17,21)(H,18,19,20)/t16-/m0/s1 NRLULZOVQQDQNT-INIZCTEOSA-N 276813 WO2011044181, Example 166 Beta-secretase 1 Homo sapiens 41.0 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111641 378158470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 525181 COc1ccccc1Nc1cc(ccn1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C17H21N5O3S/c1-17(11-26(23,24)22(2)16(18)21-17)12-8-9-19-15(10-12)20-13-6-4-5-7-14(13)25-3/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20)/t17-/m0/s1 QSUAENHPFZRBMY-KRWDZBQOSA-N 276814 WO2011044181, Example 167 Beta-secretase 1 Homo sapiens 344 5 US Patent 10.7270/Q2C82CBK aid1795532 US10071998 Wu, W; He, S; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=276814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=276814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68111640 378158471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555099 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)CS1(=O)=O InChI=1S/C18H18ClN5O4S/c1-24-17(20)23-18(10-29(24,26)27)6-7-28-15-5-3-12(8-13(15)18)22-16(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7,10H2,1H3,(H2,20,23)(H,22,25)/t18-/m0/s1 MZRRDESBEQQOJE-SFHVURJKSA-N 290697 US9580396, Example 1a Beta-secretase 1 Homo sapiens 70.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=290697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=290697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287195 381611015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555101 COc1ccc(nc1)C(=O)Nc1ccc2OCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C19H21N5O5S/c1-24-18(20)23-19(11-30(24,26)27)7-8-29-16-6-3-12(9-14(16)19)22-17(25)15-5-4-13(28-2)10-21-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,20,23)(H,22,25)/t19-/m0/s1 VCLABADXPNRDCW-IBGZPJMESA-N 291106 US9580396, Example 1b Beta-secretase 1 Homo sapiens 233 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291106&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287196 381611413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555103 COCC(=O)Nc1ccc2OCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C15H20N4O5S/c1-19-14(16)18-15(9-25(19,21)22)5-6-24-12-4-3-10(7-11(12)15)17-13(20)8-23-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,16,18)(H,17,20)/t15-/m0/s1 VTEPBMKUHQXDEL-HNNXBMFYSA-N 291107 US9580396, Example 1c Beta-secretase 1 Homo sapiens 2008 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287197 381611414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555105 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)C(F)F)cc23)CS1(=O)=O InChI=1S/C14H16F2N4O4S/c1-20-13(17)19-14(7-25(20,22)23)4-5-24-10-3-2-8(6-9(10)14)18-12(21)11(15)16/h2-3,6,11H,4-5,7H2,1H3,(H2,17,19)(H,18,21)/t14-/m0/s1 JKTNAVWFNINKLK-AWEZNQCLSA-N 291108 US9580396, Example 1d Beta-secretase 1 Homo sapiens 2275 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287334 381611415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555107 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O InChI=1S/C19H20FN5O5S/c1-25-18(21)24-19(10-31(25,27)28)6-7-29-16-5-2-12(8-14(16)19)23-17(26)15-4-3-13(9-22-15)30-11-20/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 JEIYFYBPKPLDRP-IBGZPJMESA-N 291109 US9580396, Example 2a Beta-secretase 1 Homo sapiens 91.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285673 381611416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555109 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4coc(C)n4)cc23)CS1(=O)=O InChI=1S/C17H19N5O5S/c1-10-19-13(8-27-10)15(23)20-11-3-4-14-12(7-11)17(5-6-26-14)9-28(24,25)22(2)16(18)21-17/h3-4,7-8H,5-6,9H2,1-2H3,(H2,18,21)(H,20,23)/t17-/m0/s1 FVGFAGCCFNDSCO-KRWDZBQOSA-N 291110 US9580396, Example 2b Beta-secretase 1 Homo sapiens 142 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291110&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287336 381611417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555111 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)[N+]#[C-])cc23)CS1(=O)=O InChI=1S/C19H18N6O4S/c1-21-13-3-5-15(22-10-13)17(26)23-12-4-6-16-14(9-12)19(7-8-29-16)11-30(27,28)25(2)18(20)24-19/h3-6,9-10H,7-8,11H2,2H3,(H2,20,24)(H,23,26)/t19-/m0/s1 BDMDAFUHRFQUPG-IBGZPJMESA-N 291111 US9580396, Example 2c Beta-secretase 1 Homo sapiens 26.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137528691 381611418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555113 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ncc(cn4)C(F)(F)F)cc23)CS1(=O)=O InChI=1S/C18H17F3N6O4S/c1-27-16(22)26-17(9-32(27,29)30)4-5-31-13-3-2-11(6-12(13)17)25-15(28)14-23-7-10(8-24-14)18(19,20)21/h2-3,6-8H,4-5,9H2,1H3,(H2,22,26)(H,25,28)/t17-/m0/s1 GTQSWZCIQAHYEW-KRWDZBQOSA-N 291112 US9580396, Example 2d Beta-secretase 1 Homo sapiens 579 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287338 381611419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555115 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)CS1(=O)=O InChI=1S/C18H17ClFN5O4S/c1-25-17(21)24-18(9-30(25,27)28)4-5-29-14-3-2-11(7-12(14)18)23-16(26)15-13(20)6-10(19)8-22-15/h2-3,6-8H,4-5,9H2,1H3,(H2,21,24)(H,23,26)/t18-/m0/s1 WFYUPYOCSTURIG-SFHVURJKSA-N 291113 US9580396, Example 2e Beta-secretase 1 Homo sapiens 49.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291113&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287339 381611420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555117 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(OCC#C)cn4)cc23)CS1(=O)=O InChI=1S/C20H20N6O5S/c1-3-7-31-17-11-22-15(10-23-17)18(27)24-13-4-5-16-14(9-13)20(6-8-30-16)12-32(28,29)26(2)19(21)25-20/h1,4-5,9-11H,6-8,12H2,2H3,(H2,21,25)(H,24,27)/t20-/m0/s1 LDODNHLWNGULFY-FQEVSTJZSA-N 291114 US9580396, Example 2f Beta-secretase 1 Homo sapiens 13.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291114&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535368 381611421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555119 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(OCC(F)(F)F)cn4)cc23)CS1(=O)=O InChI=1S/C19H19F3N6O5S/c1-28-17(23)27-18(10-34(28,30)31)4-5-32-14-3-2-11(6-12(14)18)26-16(29)13-7-25-15(8-24-13)33-9-19(20,21)22/h2-3,6-8H,4-5,9-10H2,1H3,(H2,23,27)(H,26,29)/t18-/m0/s1 FNQYVKIMJXZYOM-SFHVURJKSA-N 291115 US9580396, Example 2g Beta-secretase 1 Homo sapiens 70.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535431 381611422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555121 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)CS1(=O)=O InChI=1S/C21H21N5O5S/c1-3-9-30-15-5-6-17(23-12-15)19(27)24-14-4-7-18-16(11-14)21(8-10-31-18)13-32(28,29)26(2)20(22)25-21/h1,4-7,11-12H,8-10,13H2,2H3,(H2,22,25)(H,24,27)/t21-/m0/s1 NGNRFTPDKJYMFV-NRFANRHFSA-N 291116 US9580396, Example 2h Beta-secretase 1 Homo sapiens 33.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291116&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287478 381611423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555123 COc1cnc(C(=O)Nc2ccc3OCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1 InChI=1S/C20H23N5O5S/c1-12-8-14(29-3)10-22-17(12)18(26)23-13-4-5-16-15(9-13)20(6-7-30-16)11-31(27,28)25(2)19(21)24-20/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,24)(H,23,26)/t20-/m0/s1 ZEWNFILKCZZTHK-FQEVSTJZSA-N 291117 US9580396, Example 2i Beta-secretase 1 Homo sapiens 168 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287479 381611424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555125 COc1cnc(C(=O)Nc2ccc3OCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)n1 InChI=1S/C19H22N6O5S/c1-11-16(21-9-15(22-11)29-3)17(26)23-12-4-5-14-13(8-12)19(6-7-30-14)10-31(27,28)25(2)18(20)24-19/h4-5,8-9H,6-7,10H2,1-3H3,(H2,20,24)(H,23,26)/t19-/m0/s1 QYCKKGVAFIRAIH-IBGZPJMESA-N 291118 US9580396, Example 2j Beta-secretase 1 Homo sapiens 294 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287480 381611425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555127 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)CS1(=O)=O InChI=1S/C20H20N6O4S/c1-12-7-13(9-21)10-23-17(12)18(27)24-14-3-4-16-15(8-14)20(5-6-30-16)11-31(28,29)26(2)19(22)25-20/h3-4,7-8,10H,5-6,11H2,1-2H3,(H2,22,25)(H,24,27)/t20-/m0/s1 OUTYEBXXIJHFSN-FQEVSTJZSA-N 291119 US9580396, Example 2k Beta-secretase 1 Homo sapiens 15.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287194 381611426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555129 COc1cnc(cn1)C(=O)Nc1ccc2OCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C18H20N6O5S/c1-24-17(19)23-18(10-30(24,26)27)5-6-29-14-4-3-11(7-12(14)18)22-16(25)13-8-21-15(28-2)9-20-13/h3-4,7-9H,5-6,10H2,1-2H3,(H2,19,23)(H,22,25)/t18-/m0/s1 SHKHXXYBAIQHBQ-SFHVURJKSA-N 291120 US9580396, Example 2l Beta-secretase 1 Homo sapiens 212 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291120&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535435 381611427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555131 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(cn4)C(F)(F)F)cc23)CS1(=O)=O InChI=1S/C18H17F3N6O4S/c1-27-16(22)26-17(9-32(27,29)30)4-5-31-13-3-2-10(6-11(13)17)25-15(28)12-7-24-14(8-23-12)18(19,20)21/h2-3,6-8H,4-5,9H2,1H3,(H2,22,26)(H,25,28)/t17-/m0/s1 RQBOTTXTWSGISH-KRWDZBQOSA-N 291121 US9580396, Example 2m Beta-secretase 1 Homo sapiens 303 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287481 381611428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555133 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cc5ccccn5n4)cc23)CS1(=O)=O InChI=1S/C20H20N6O4S/c1-25-19(21)23-20(12-31(25,28)29)7-9-30-17-6-5-13(10-15(17)20)22-18(27)16-11-14-4-2-3-8-26(14)24-16/h2-6,8,10-11H,7,9,12H2,1H3,(H2,21,23)(H,22,27)/t20-/m0/s1 JZEQFAWVKIWUIH-FQEVSTJZSA-N 291122 US9580396, Example 2n Beta-secretase 1 Homo sapiens 1488 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287627 381611429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555135 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)CS1(=O)=O InChI=1S/C19H18F3N5O4S/c1-27-17(23)26-18(10-32(27,29)30)6-7-31-15-5-3-12(8-13(15)18)25-16(28)14-4-2-11(9-24-14)19(20,21)22/h2-5,8-9H,6-7,10H2,1H3,(H2,23,26)(H,25,28)/t18-/m0/s1 ZQXFZYSHKILSIV-SFHVURJKSA-N 291123 US9580396, Example 2o Beta-secretase 1 Homo sapiens 77.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287628 381611430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555137 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccn(n4)C(F)F)cc23)CS1(=O)=O InChI=1S/C17H18F2N6O4S/c1-24-16(20)22-17(9-30(24,27)28)5-7-29-13-3-2-10(8-11(13)17)21-14(26)12-4-6-25(23-12)15(18)19/h2-4,6,8,15H,5,7,9H2,1H3,(H2,20,22)(H,21,26)/t17-/m0/s1 JRSWGOSOPGTDAN-KRWDZBQOSA-N 291124 US9580396, Example 2p Beta-secretase 1 Homo sapiens 20.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291124&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287629 381611431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555139 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4noc(C)n4)cc23)CS1(=O)=O InChI=1S/C16H18N6O5S/c1-9-18-13(21-27-9)14(23)19-10-3-4-12-11(7-10)16(5-6-26-12)8-28(24,25)22(2)15(17)20-16/h3-4,7H,5-6,8H2,1-2H3,(H2,17,20)(H,19,23)/t16-/m0/s1 PGVLFIVJUHFIGL-INIZCTEOSA-N 291125 US9580396, Example 2q Beta-secretase 1 Homo sapiens 367 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287630 381611432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555141 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cn5cc(ccc5n4)C#N)cc23)CS1(=O)=O InChI=1S/C21H19N7O4S/c1-27-20(23)26-21(12-33(27,30)31)6-7-32-17-4-3-14(8-15(17)21)24-19(29)16-11-28-10-13(9-22)2-5-18(28)25-16/h2-5,8,10-11H,6-7,12H2,1H3,(H2,23,26)(H,24,29)/t21-/m0/s1 JNVBFXOWVFXBDD-NRFANRHFSA-N 291126 US9580396, Example 2r Beta-secretase 1 Homo sapiens 604 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535436 381611433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555143 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O InChI=1S/C15H16N6O4S2/c1-21-14(16)19-15(8-27(21,23)24)4-5-25-12-3-2-9(6-10(12)15)18-13(22)11-7-17-26-20-11/h2-3,6-7H,4-5,8H2,1H3,(H2,16,19)(H,18,22)/t15-/m0/s1 LEKHDTHOPXHWTP-HNNXBMFYSA-N 291127 US9580396, Example 2s Beta-secretase 1 Homo sapiens 240 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287632 381611434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555145 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)CS1(=O)=O InChI=1S/C18H18FN5O4S/c1-24-17(20)23-18(10-29(24,26)27)6-7-28-15-5-3-12(8-13(15)18)22-16(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7,10H2,1H3,(H2,20,23)(H,22,25)/t18-/m0/s1 NJQBTQFZSXKHBD-SFHVURJKSA-N 291128 US9580396, Example 2t Beta-secretase 1 Homo sapiens 205 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287775 381611435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555147 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)CS1(=O)=O InChI=1S/C19H19F2N5O5S/c1-26-18(22)25-19(10-32(26,28)29)6-7-30-15-5-2-11(8-13(15)19)24-16(27)14-4-3-12(9-23-14)31-17(20)21/h2-5,8-9,17H,6-7,10H2,1H3,(H2,22,25)(H,24,27)/t19-/m0/s1 GNEDVTBZOIDBEW-IBGZPJMESA-N 291129 US9580396, Example 2u Beta-secretase 1 Homo sapiens 44.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287776 381611436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555149 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)CS1(=O)=O InChI=1S/C19H18F3N5O5S/c1-27-17(23)26-18(10-33(27,29)30)6-7-31-15-5-2-11(8-13(15)18)25-16(28)14-4-3-12(9-24-14)32-19(20,21)22/h2-5,8-9H,6-7,10H2,1H3,(H2,23,26)(H,25,28)/t18-/m0/s1 UNKAHXGWDAMJGM-SFHVURJKSA-N 291130 US9580396, Example 2v Beta-secretase 1 Homo sapiens 52.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287777 381611437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555151 CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(OCCF)cn4)cc23)CS1(=O)=O InChI=1S/C19H21FN6O5S/c1-26-18(21)25-19(11-32(26,28)29)4-6-30-15-3-2-12(8-13(15)19)24-17(27)14-9-23-16(10-22-14)31-7-5-20/h2-3,8-10H,4-7,11H2,1H3,(H2,21,25)(H,24,27)/t19-/m0/s1 IXNFHIVAZYRVCG-IBGZPJMESA-N 291131 US9580396, Example 2w Beta-secretase 1 Homo sapiens 229 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535375 381611438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555153 CN1C(=N)N[C@@]2(COCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)CS1(=O)=O InChI=1S/C18H18ClN5O4S/c1-24-17(20)23-18(10-29(24,26)27)9-28-8-11-2-4-13(6-14(11)18)22-16(25)15-5-3-12(19)7-21-15/h2-7H,8-10H2,1H3,(H2,20,23)(H,22,25)/t18-/m0/s1 KZHBDZCQOITHGE-SFHVURJKSA-N 291132 US9580396, Example 3a Beta-secretase 1 Homo sapiens 272 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535442 381611439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555155 COc1ccc(nc1)C(=O)Nc1ccc2COC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C19H21N5O5S/c1-24-18(20)23-19(11-30(24,26)27)10-29-9-12-3-4-13(7-15(12)19)22-17(25)16-6-5-14(28-2)8-21-16/h3-8H,9-11H2,1-2H3,(H2,20,23)(H,22,25)/t19-/m0/s1 BXVJOJDVSQYEGP-IBGZPJMESA-N 291133 US9580396, Example 3b Beta-secretase 1 Homo sapiens 1160 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535376 381611440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555157 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)CS1(=O)=O InChI=1S/C19H20ClN5O3S/c1-25-18(21)24-19(11-29(25,27)28)8-2-3-12-4-6-14(9-15(12)19)23-17(26)16-7-5-13(20)10-22-16/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 WMPFEWSHXOIGJL-IBGZPJMESA-N 291134 US9580396, Example 4a Beta-secretase 1 Homo sapiens 58.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287779 381611441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555159 COc1ccc(nc1)C(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C20H23N5O4S/c1-25-19(21)24-20(12-30(25,27)28)9-3-4-13-5-6-14(10-16(13)20)23-18(26)17-8-7-15(29-2)11-22-17/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,21,24)(H,23,26)/t20-/m0/s1 RUUWEIOSBJYYRK-FQEVSTJZSA-N 291135 US9580396, Example 4b Beta-secretase 1 Homo sapiens 228 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287780 381611442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555161 COCC(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C16H22N4O4S/c1-20-15(17)19-16(10-25(20,22)23)7-3-4-11-5-6-12(8-13(11)16)18-14(21)9-24-2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H2,17,19)(H,18,21)/t16-/m0/s1 PCLQUUAMYZFADT-INIZCTEOSA-N 291136 US9580396, Example 4c Beta-secretase 1 Homo sapiens 2115 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535369 381611443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555163 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)C(F)F)cc23)CS1(=O)=O InChI=1S/C15H18F2N4O3S/c1-21-14(18)20-15(8-25(21,23)24)6-2-3-9-4-5-10(7-11(9)15)19-13(22)12(16)17/h4-5,7,12H,2-3,6,8H2,1H3,(H2,18,20)(H,19,22)/t15-/m0/s1 HPRCRXAHETVHJO-HNNXBMFYSA-N 291137 US9580396, Example 4d Beta-secretase 1 Homo sapiens 2576 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287921 381611444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555165 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cn5cc(ccc5n4)C#N)cc23)CS1(=O)=O InChI=1S/C22H21N7O3S/c1-28-21(24)27-22(13-33(28,31)32)8-2-3-15-5-6-16(9-17(15)22)25-20(30)18-12-29-11-14(10-23)4-7-19(29)26-18/h4-7,9,11-12H,2-3,8,13H2,1H3,(H2,24,27)(H,25,30)/t22-/m0/s1 LCBYLSGVNOSMHV-QFIPXVFZSA-N 291138 US9580396, Example 5a Beta-secretase 1 Homo sapiens 636 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535378 381611445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555167 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)CS1(=O)=O InChI=1S/C19H20FN5O3S/c1-25-18(21)24-19(11-29(25,27)28)8-2-3-12-4-6-14(9-15(12)19)23-17(26)16-7-5-13(20)10-22-16/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 HCNLZEXPDACZPO-IBGZPJMESA-N 291139 US9580396, Example 5b Beta-secretase 1 Homo sapiens 192 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535371 381611446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555169 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)CS1(=O)=O InChI=1S/C20H21F2N5O4S/c1-27-19(23)26-20(11-32(27,29)30)8-2-3-12-4-5-13(9-15(12)20)25-17(28)16-7-6-14(10-24-16)31-18(21)22/h4-7,9-10,18H,2-3,8,11H2,1H3,(H2,23,26)(H,25,28)/t20-/m0/s1 BPGQNORYVWVOAC-FQEVSTJZSA-N 291140 US9580396, Example 5c Beta-secretase 1 Homo sapiens 59.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287923 381611447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555171 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)CS1(=O)=O InChI=1S/C20H20F3N5O4S/c1-28-18(24)27-19(11-33(28,30)31)8-2-3-12-4-5-13(9-15(12)19)26-17(29)16-7-6-14(10-25-16)32-20(21,22)23/h4-7,9-10H,2-3,8,11H2,1H3,(H2,24,27)(H,26,29)/t19-/m0/s1 WEYUOFWNDKSGIJ-IBGZPJMESA-N 291141 US9580396, Example 5d Beta-secretase 1 Homo sapiens 55.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287924 381611448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555173 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(OCCF)cn4)cc23)CS1(=O)=O InChI=1S/C20H23FN6O4S/c1-27-19(22)26-20(12-32(27,29)30)6-2-3-13-4-5-14(9-15(13)20)25-18(28)16-10-24-17(11-23-16)31-8-7-21/h4-5,9-11H,2-3,6-8,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 MXWKEMWLCMQPMA-FQEVSTJZSA-N 291142 US9580396, Example 5e Beta-secretase 1 Homo sapiens 257 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535373 381611449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555175 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4noc(C)n4)cc23)CS1(=O)=O InChI=1S/C17H20N6O4S/c1-10-19-14(22-27-10)15(24)20-12-6-5-11-4-3-7-17(13(11)8-12)9-28(25,26)23(2)16(18)21-17/h5-6,8H,3-4,7,9H2,1-2H3,(H2,18,21)(H,20,24)/t17-/m0/s1 WXUALMXOFPSQON-KRWDZBQOSA-N 291143 US9580396, Example 5f Beta-secretase 1 Homo sapiens 314 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291143&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287926 381611450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555177 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O InChI=1S/C20H22FN5O4S/c1-26-19(22)25-20(11-31(26,28)29)8-2-3-13-4-5-14(9-16(13)20)24-18(27)17-7-6-15(10-23-17)30-12-21/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,22,25)(H,24,27)/t20-/m0/s1 FSOATLWAAOWFCG-FQEVSTJZSA-N 291144 US9580396, Example 5g Beta-secretase 1 Homo sapiens 77.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535380 381611451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555179 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4coc(C)n4)cc23)CS1(=O)=O InChI=1S/C18H21N5O4S/c1-11-20-15(9-27-11)16(24)21-13-6-5-12-4-3-7-18(14(12)8-13)10-28(25,26)23(2)17(19)22-18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,19,22)(H,21,24)/t18-/m0/s1 RQHRGRIECQTSAK-SFHVURJKSA-N 291145 US9580396, Example 5h Beta-secretase 1 Homo sapiens 108 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285674 381611452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555181 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)CS1(=O)=O InChI=1S/C20H20N6O3S/c1-26-19(22)25-20(12-30(26,28)29)8-2-3-14-5-6-15(9-16(14)20)24-18(27)17-7-4-13(10-21)11-23-17/h4-7,9,11H,2-3,8,12H2,1H3,(H2,22,25)(H,24,27)/t20-/m0/s1 SHZJKEXCCIBORH-FQEVSTJZSA-N 291146 US9580396, Example 5i Beta-secretase 1 Homo sapiens 19.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285983 381611453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555183 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(cn4)C(F)(F)F)cc23)CS1(=O)=O InChI=1S/C19H19F3N6O3S/c1-28-17(23)27-18(10-32(28,30)31)6-2-3-11-4-5-13(7-14(11)18)26-16(29)15-24-8-12(9-25-15)19(20,21)22/h4-5,7-9H,2-3,6,10H2,1H3,(H2,23,27)(H,26,29)/t18-/m0/s1 ITULTALJGSVECT-SFHVURJKSA-N 291147 US9580396, Example 5j Beta-secretase 1 Homo sapiens 468 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535379 381611454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555185 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)CS1(=O)=O InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(10-30(26,28)29)6-2-3-11-4-5-13(8-14(11)19)24-17(27)16-15(21)7-12(20)9-23-16/h4-5,7-9H,2-3,6,10H2,1H3,(H2,22,25)(H,24,27)/t19-/m0/s1 KAQOBXMBTOJNJN-IBGZPJMESA-N 291148 US9580396, Example 5k Beta-secretase 1 Homo sapiens 54.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285676 381611455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555187 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(OCC#C)cn4)cc23)CS1(=O)=O InChI=1S/C21H22N6O4S/c1-3-9-31-18-12-23-17(11-24-18)19(28)25-15-7-6-14-5-4-8-21(16(14)10-15)13-32(29,30)27(2)20(22)26-21/h1,6-7,10-12H,4-5,8-9,13H2,2H3,(H2,22,26)(H,25,28)/t21-/m0/s1 LWRYSCWNOARRIE-NRFANRHFSA-N 291149 US9580396, Example 5l Beta-secretase 1 Homo sapiens 11.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285677 381611456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555189 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(OCC(F)(F)F)cn4)cc23)CS1(=O)=O InChI=1S/C20H21F3N6O4S/c1-29-18(24)28-19(11-34(29,31)32)6-2-3-12-4-5-13(7-14(12)19)27-17(30)15-8-26-16(9-25-15)33-10-20(21,22)23/h4-5,7-9H,2-3,6,10-11H2,1H3,(H2,24,28)(H,27,30)/t19-/m0/s1 BNJABFVJMDYTTE-IBGZPJMESA-N 291150 US9580396, Example 5m Beta-secretase 1 Homo sapiens 72.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285678 381611457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555191 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)CS1(=O)=O InChI=1S/C22H23N5O4S/c1-3-11-31-17-8-9-19(24-13-17)20(28)25-16-7-6-15-5-4-10-22(18(15)12-16)14-32(29,30)27(2)21(23)26-22/h1,6-9,12-13H,4-5,10-11,14H2,2H3,(H2,23,26)(H,25,28)/t22-/m0/s1 AHFKPBRNRAMYAB-QFIPXVFZSA-N 291151 US9580396, Example 5n Beta-secretase 1 Homo sapiens 42.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285832 381611458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555193 COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1 InChI=1S/C21H25N5O4S/c1-13-9-16(30-3)11-23-18(13)19(27)24-15-7-6-14-5-4-8-21(17(14)10-15)12-31(28,29)26(2)20(22)25-21/h6-7,9-11H,4-5,8,12H2,1-3H3,(H2,22,25)(H,24,27)/t21-/m0/s1 GVJRWXKACKVIRD-NRFANRHFSA-N 291152 US9580396, Example 5o Beta-secretase 1 Homo sapiens 119 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285833 381611459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555195 COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)n1 InChI=1S/C20H24N6O4S/c1-12-17(22-10-16(23-12)30-3)18(27)24-14-7-6-13-5-4-8-20(15(13)9-14)11-31(28,29)26(2)19(21)25-20/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,21,25)(H,24,27)/t20-/m0/s1 MBASXXHLOWSIKM-FQEVSTJZSA-N 291153 US9580396, Example 5p Beta-secretase 1 Homo sapiens 224 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285834 381611460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555197 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)CS1(=O)=O InChI=1S/C21H22N6O3S/c1-13-8-14(10-22)11-24-18(13)19(28)25-16-6-5-15-4-3-7-21(17(15)9-16)12-31(29,30)27(2)20(23)26-21/h5-6,8-9,11H,3-4,7,12H2,1-2H3,(H2,23,26)(H,25,28)/t21-/m0/s1 ZSCSZRWAVDZCER-NRFANRHFSA-N 291154 US9580396, Example 5q Beta-secretase 1 Homo sapiens 9.00 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75203407 381611461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555199 COc1cnc(cn1)C(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 InChI=1S/C19H22N6O4S/c1-25-18(20)24-19(11-30(25,27)28)7-3-4-12-5-6-13(8-14(12)19)23-17(26)15-9-22-16(29-2)10-21-15/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,20,24)(H,23,26)/t19-/m0/s1 OGAQNAYZNJYEPS-IBGZPJMESA-N 291155 US9580396, Example 5r Beta-secretase 1 Homo sapiens 144 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285835 381611462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555201 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(cn4)C(F)(F)F)cc23)CS1(=O)=O InChI=1S/C19H19F3N6O3S/c1-28-17(23)27-18(10-32(28,30)31)6-2-3-11-4-5-12(7-13(11)18)26-16(29)14-8-25-15(9-24-14)19(20,21)22/h4-5,7-9H,2-3,6,10H2,1H3,(H2,23,27)(H,26,29)/t18-/m0/s1 HZMYXPYMJZDTGZ-SFHVURJKSA-N 291156 US9580396, Example 5s Beta-secretase 1 Homo sapiens 253 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285836 381611463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555203 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O InChI=1S/C16H18N6O3S2/c1-22-15(17)20-16(9-27(22,24)25)6-2-3-10-4-5-11(7-12(10)16)19-14(23)13-8-18-26-21-13/h4-5,7-8H,2-3,6,9H2,1H3,(H2,17,20)(H,19,23)/t16-/m0/s1 AHEZUYAKQIOMIM-INIZCTEOSA-N 291157 US9580396, Example 5t Beta-secretase 1 Homo sapiens 264 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285837 381611464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555205 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cc5ccccn5n4)cc23)CS1(=O)=O InChI=1S/C21H22N6O3S/c1-26-20(22)24-21(13-31(26,29)30)9-4-5-14-7-8-15(11-17(14)21)23-19(28)18-12-16-6-2-3-10-27(16)25-18/h2-3,6-8,10-12H,4-5,9,13H2,1H3,(H2,22,24)(H,23,28)/t21-/m0/s1 YPUVMLMOHFNJJA-NRFANRHFSA-N 291158 US9580396, Example 5u Beta-secretase 1 Homo sapiens 1336 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76287922 381611465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555207 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)CS1(=O)=O InChI=1S/C20H20F3N5O3S/c1-28-18(24)27-19(11-32(28,30)31)8-2-3-12-4-6-14(9-15(12)19)26-17(29)16-7-5-13(10-25-16)20(21,22)23/h4-7,9-10H,2-3,8,11H2,1H3,(H2,24,27)(H,26,29)/t19-/m0/s1 LPOATAKSSWVVRT-IBGZPJMESA-N 291159 US9580396, Example 5v Beta-secretase 1 Homo sapiens 55.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285675 381611466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 555209 CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccn(n4)C(F)F)cc23)CS1(=O)=O InChI=1S/C18H20F2N6O3S/c1-25-17(21)23-18(10-30(25,28)29)7-2-3-11-4-5-12(9-13(11)18)22-15(27)14-6-8-26(24-14)16(19)20/h4-6,8-9,16H,2-3,7,10H2,1H3,(H2,21,23)(H,22,27)/t18-/m0/s1 SZCZFHFDWCVSAZ-SFHVURJKSA-N 291160 US9580396, Example 5w Beta-secretase 1 Homo sapiens 20.0 5 US Patent 10.7270/Q29K4D9S aid1795849 US9580396 Cumming, JN; Scott, Jr., JD; Stamford, AW; Iserloh, U; Neelamkavil, SF; Shao, PP; Wilson, JE Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=291160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=291160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76285982 381611467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531829 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)/t16-/m0/s1 WQUQHUCOJVZXJC-INIZCTEOSA-N 116227 US10035794, Example 1::US10683287, Example 1::US8637508, 1 Beta-secretase 1 Homo sapiens 390 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356238 199996611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531830 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23) WQUQHUCOJVZXJC-UHFFFAOYSA-N 116228 US10035794, Example 2::US10683287, Example 2::US8637508, 2 Beta-secretase 1 Homo sapiens 790 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57523959 199996612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531831 NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 InChI=1S/C16H15ClFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24) CDJHOYHFBRGWII-UHFFFAOYSA-N 279659 5-{6-[(5-Chloro-pyridine-2-carbonyl)-amino]-pyridin-2-yl}-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl-ammonium trifluoro acetate::US10035794, Example 3 Beta-secretase 1 Homo sapiens 2600 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=279659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=279659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57523960 378161234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531832 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H15BrFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1 HBAGGGIQIJILPN-UHFFFAOYSA-O 116230 BDBM279660::US10683287, Example 4::US8637508, 4 Beta-secretase 1 Homo sapiens 1600 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808726 199996614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531833 Cc1cc(cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1)C#N InChI=1S/C18H17FN6O2/c1-11-5-12(6-20)7-22-16(11)17(26)24-15-4-2-3-13(23-15)18(9-19)10-27-8-14(21)25-18/h2-5,7H,8-10H2,1H3,(H2,21,25)(H,23,24,26)/p+1 DQUIQKUFQPXKNE-UHFFFAOYSA-O 116231 BDBM279661::US8637508, 5 Beta-secretase 1 Homo sapiens 270 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808727 199996615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531834 Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1 InChI=1S/C17H17ClFN5O2/c1-10-5-11(18)6-21-15(10)16(25)23-14-4-2-3-12(22-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,22,23,25)/p+1 OEZZKNFURPODDF-UHFFFAOYSA-O 279662 US10035794, Example 6 Beta-secretase 1 Homo sapiens 550 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=279662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=279662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214975 378161237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531835 [O-]C(=O)C(F)(F)F.NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1 InChI=1S/C17H17FN6O2S.C2HF3O2/c18-8-17(9-26-7-13(19)24-17)12-2-1-3-14(22-12)23-16(25)11-5-4-10(6-21-11)15(20)27;3-2(4,5)1(6)7/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25);(H,6,7) IBRIMKZFABBPMR-UHFFFAOYSA-N 279663 US10035794, Example 7 Beta-secretase 1 Homo sapiens 2100 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=279663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=279663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214976 378161238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531836 Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1 HONUCNWSWWNZSP-RBUKOAKNSA-N 116233 US10035794, Example 8::US10683287, Example 8::US8637508, 8 Beta-secretase 1 Homo sapiens 5.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356349 199996617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531837 C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1 QSCBNUCKFXAIJL-QZTJIDSGSA-N 116234 BDBM279665::US8637508, 9 Beta-secretase 1 Homo sapiens 6200 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355899 199996618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531838 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1 QSCBNUCKFXAIJL-ZWKOTPCHSA-N 116235 US10035794, Example 10::US10683287, Example 10::US8637508, 10 Beta-secretase 1 Homo sapiens 39.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951951 199996619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531839 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 MTNQDQUYJFDVLS-RBUKOAKNSA-N 116236 US10035794, Example 11::US10683287, Example 11::US8637508, 11 Beta-secretase 1 Homo sapiens 4.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356221 199996620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531840 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1 MTNQDQUYJFDVLS-RTBURBONSA-N 116237 US10035794, Example 12::US10683287, Example 12::US8637508, 12 Beta-secretase 1 Homo sapiens 490 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355933 199996621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531841 Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1 InChI=1S/C17H17ClFN5O2/c1-10-4-12(18)6-22-15(10)16(25)23-14-5-11(2-3-21-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,21,23,25) OLVSRIFVQCSRTD-UHFFFAOYSA-N 279669 5-{2-[(5-Chloro-4,6-dideutero-3-trideuteromethyl-pyridine-2-carbonyl)-amino]-pyridin-4-yl}-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl-ammonium acetate::US10035794, Example 13 Beta-secretase 1 Homo sapiens 3700 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=279669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=279669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76555410 378161244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531842 [NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C16H15ClFN5O2/c17-11-1-2-12(21-6-11)15(24)22-14-5-10(3-4-20-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,20,22,24)/p+1 GPJQSUWRIBDPMP-UHFFFAOYSA-O 116238 BDBM279670::US10683287, Example 14::US8637508, 14 Beta-secretase 1 Homo sapiens 8100 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808729 199996622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531843 Cc1cc(cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1)C(N)=S InChI=1S/C18H19FN6O2S/c1-10-4-11(16(21)28)6-23-15(10)17(26)24-14-5-12(2-3-22-14)18(8-19)9-27-7-13(20)25-18/h2-6H,7-9H2,1H3,(H2,20,25)(H2,21,28)(H,22,24,26)/p+1 OTLWVMHTRDSPSA-UHFFFAOYSA-O 116239 BDBM279671::US8637508, 15 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808730 199996623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531844 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1 VAFUDQUXHDFJQT-RBUKOAKNSA-N 116240 US10035794, Example 16::US10683287, Example 16::US8637508, 16 Beta-secretase 1 Homo sapiens 82.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356350 199996624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531845 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1 VAFUDQUXHDFJQT-RTBURBONSA-N 116241 US10035794, Example 17::US10683287, Example 17::US8637508, 17 Beta-secretase 1 Homo sapiens 7600 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356355 199996625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531846 Cl.NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl InChI=1S/C16H14BrClFN5O2.ClH/c17-9-1-2-12(21-4-9)15(25)23-10-3-11(14(18)22-5-10)16(7-19)8-26-6-13(20)24-16;/h1-5H,6-8H2,(H2,20,24)(H,23,25);1H GOPQMKFOQHZZCI-UHFFFAOYSA-N 279674 5-Bromo-pyridine-2-carboxylic acid [5-(5-amino-3-fluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-6-chloro-pyridin-3-yl]-amide hydrochloride::US10035794, Example 18 Beta-secretase 1 Homo sapiens 140 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=279674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=279674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77014371 378161249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531847 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1 QLMSSDKIDFGJDT-ZWKOTPCHSA-N 116243 US10035794, Example 19::US10683287, Example 19::US8637508, 19 Beta-secretase 1 Homo sapiens 43.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355685 199996627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531848 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1 InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1 DPIDWDAWIQYLLV-ZWKOTPCHSA-N 116244 US10035794, Example 20::US10683287, Example 20::US8637508, 20 Beta-secretase 1 Homo sapiens 10.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356253 199996628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531849 Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C19H19ClF3N5O2/c1-10-7-11(20)8-25-14(10)15(29)27-13-6-4-5-12(26-13)17(2)9-30-18(3,16(24)28-17)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1 MGXZYVPDNLXFNB-ZWKOTPCHSA-N 279677 US10035794, Example 21 Beta-secretase 1 Homo sapiens 31.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=279677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=279677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136214979 378161252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531850 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1 InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1 VANDNQQVYPKEOC-DLBZAZTESA-N 116245 US10035794, Example 22::US10683287, Example 22::US8637508, 22 Beta-secretase 1 Homo sapiens 13.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356247 199996629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531851 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)n1 InChI=1S/C19H19F6N7O3/c1-16(7-35-17(2,15(27)32-16)19(23,24)25)9-4-3-5-10(29-9)30-14(33)12-13(26)31-11(6-28-12)34-8-18(20,21)22/h3-6H,7-8H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t16-,17+/m0/s1 FFRBKRVVRVORIQ-DLBZAZTESA-N 116246 US10035794, Example 23::US8637508, 23 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602533 199996630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531852 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 6.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531853 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1 PWIJFDYDPIMSCV-RBUKOAKNSA-N 116248 US10035794, Example 25::US10683287, Example 25::US8637508, 25 Beta-secretase 1 Homo sapiens 93.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356220 199996632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531854 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1 FKENLPZVPNVYQW-DLBZAZTESA-N 116249 US10035794, Example 26::US8637508, 26 Beta-secretase 1 Homo sapiens 400 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602362 199996633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531855 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 MWIIPGZITGHTPU-ZWKOTPCHSA-N 116250 US10035794, Example 27::US10683287, Example 27::US8637508, 27 Beta-secretase 1 Homo sapiens 11.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951901 199996634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531856 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 1100 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531857 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1 IEGJECJTLOSIQV-RBUKOAKNSA-N 116252 US10035794, Example 29::US10683287, Example 30::US8637508, 29 Beta-secretase 1 Homo sapiens 26.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602949 199996636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531858 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1 DOJQNRYLSRMQDA-ZWKOTPCHSA-N 116253 US10035794, Example 30::US10683287, Example 36::US8637508, 30 Beta-secretase 1 Homo sapiens 25.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951915 199996637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531859 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1 DRKAFGKWERJHKK-DLBZAZTESA-N 116254 US10035794, Example 31::US10683287, Example 31::US8637508, 31 Beta-secretase 1 Homo sapiens 7.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951906 199996638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531860 Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H20F5N5O3/c1-10-6-11(32-9-21)7-27-14(10)16(31)29-13-5-4-12(22)15(28-13)18(2)8-33-19(3,17(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 VZKUTAXMEIXBFQ-RBUKOAKNSA-N 116255 US10035794, Example 32::US10683287, Example 32::US8637508, 32 Beta-secretase 1 Homo sapiens 45.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356240 199996639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531861 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1 QEEWKGAHKUUMAX-DLBZAZTESA-N 116256 US10035794, Example 33::US10683287, Example 33::US8637508, 33 Beta-secretase 1 Homo sapiens 820 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356222 199996640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531862 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 PSBBWFNMHDUTRH-DLBZAZTESA-N 116257 US10035794, Example 34::US10683287, Example 34::US8637508, 34 Beta-secretase 1 Homo sapiens 7.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUH 6EQM 88602735 199996641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531863 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ncc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)10-4-13(27-7-12(10)21)29-15(31)14-11(20)3-9(5-25)6-28-14/h3-4,6-7H,8H2,1-2H3,(H2,26,30)(H,27,29,31)/t17-,18+/m0/s1 RPVSVZJNXFHPNA-ZWKOTPCHSA-N 116258 US10035794, Example 35::US8637508, 35 Beta-secretase 1 Homo sapiens 150 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356241 199996642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531864 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ncc1F InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)9-4-12(28-6-11(9)21)30-14(32)13-10(20)3-8(5-29-13)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,28,30,32)/t17-,18+/m0/s1 QONFJNGJOVKPCS-ZWKOTPCHSA-N 116259 US10035794, Example 36::US8637508, 36 Beta-secretase 1 Homo sapiens 410 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602761 199996643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531865 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C20H19F3N6O2/c1-11-3-12(5-24)6-27-16(11)17(30)28-15-4-13(14(23)7-26-15)19(2)10-31-20(8-21,9-22)18(25)29-19/h3-4,6-7H,8-10H2,1-2H3,(H2,25,29)(H,26,28,30)/t19-/m0/s1 ZDOMSYMJUOFARG-IBGZPJMESA-N 116260 US10035794, Example 37::US10683287, Example 37::US8637508, 37 Beta-secretase 1 Homo sapiens 380 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70351283 199996644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531866 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m0/s1 GIKOSRRRDYUWLE-SFHVURJKSA-N 116261 US10035794, Example 38::US10683287, Example 38::US8637508, 38 Beta-secretase 1 Homo sapiens 33.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355171 199996645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531867 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m1/s1 GIKOSRRRDYUWLE-GOSISDBHSA-N 116262 US10035794, Example 39::US10683287, Example 39::US8637508, 39 Beta-secretase 1 Homo sapiens 1500 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356010 199996646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531868 NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1 LVXIXHYWPFXDKS-KRWDZBQOSA-N 116263 US10035794, Example 40::US10683287, Example 40::US8637508, 40 Beta-secretase 1 Homo sapiens 42.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356242 199996647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531869 Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H20F4N6O2/c1-9-7-25-13(10(2)26-9)15(30)28-12-6-5-11(20)14(27-12)17(3)8-31-18(4,16(24)29-17)19(21,22)23/h5-7H,8H2,1-4H3,(H2,24,29)(H,27,28,30)/t17-,18+/m0/s1 NHQMQCNPITZLAA-ZWKOTPCHSA-N 116264 US10035794, Example 41::US10683287, Example 41::US8637508, 41 Beta-secretase 1 Homo sapiens 230 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951896 199996648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531870 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F InChI=1S/C20H22F5N7O3/c1-18(9-35-19(2,17(27)32-18)20(23,24)25)14-10(22)4-5-11(29-14)30-16(33)13-15(26)31-12(8-28-13)34-7-3-6-21/h4-5,8H,3,6-7,9H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t18-,19+/m0/s1 JKHHBPZBBWGXHT-RBUKOAKNSA-N 116265 US10035794, Example 42::US10683287, Example 42::US8637508, 42 Beta-secretase 1 Homo sapiens 200 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356059 199996649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531871 COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12 InChI=1S/C22H24F4N8O3/c1-20(10-37-21(2,19(28)33-20)22(24,25)26)15-11(23)4-5-13(30-15)31-18(35)14-16(27)32-17-12(29-14)6-7-34(17)8-9-36-3/h4-7H,8-10H2,1-3H3,(H2,27,32)(H2,28,33)(H,30,31,35)/t20-,21+/m0/s1 MMFYRHYCSIOPDG-LEWJYISDSA-N 116266 US10035794, Example 43::US10683287, Example 43::US8637508, 43 Beta-secretase 1 Homo sapiens 1200 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355173 199996650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531872 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1 HUQALVJHHCENTE-JKSUJKDBSA-N 116267 US10035794, Example 44::US10683287, Example 44::US8637508, 44 Beta-secretase 1 Homo sapiens 40.0 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951897 199996651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531873 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3nc2N)ccc1F InChI=1S/C21H20F6N8O2/c1-19(8-37-20(2,18(29)34-19)21(25,26)27)14-9(22)3-4-12(31-14)32-17(36)13-15(28)33-16-10(30-13)5-6-35(16)7-11(23)24/h3-6,11H,7-8H2,1-2H3,(H2,28,33)(H2,29,34)(H,31,32,36)/t19-,20+/m0/s1 WBCXJAZBPSKARJ-VQTJNVASSA-N 116268 US10035794, Example 45::US8637508, 45 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602589 199996652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531874 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H15ClF6N6O2/c1-15(6-32-16(2,13(25)28-15)17(22,23)24)11-8(19)3-4-9(26-11)27-12(31)10-7(18)5-30(29-10)14(20)21/h3-5,14H,6H2,1-2H3,(H2,25,28)(H,26,27,31)/t15-,16+/m0/s1 UYFPRMQOSKPOQR-JKSUJKDBSA-N 116269 US10035794, Example 46::US8637508, 46 Beta-secretase 1 Homo sapiens 10.00 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602590 199996653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531875 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3cc2Cl)ccc1F InChI=1S/C22H19ClF6N6O2/c1-20(9-37-21(2,19(30)34-20)22(27,28)29)17-11(24)3-4-15(32-17)33-18(36)16-10(23)7-13-12(31-16)5-6-35(13)8-14(25)26/h3-7,14H,8-9H2,1-2H3,(H2,30,34)(H,32,33,36)/t20-,21+/m0/s1 KKRXTJDWKWWIKU-LEWJYISDSA-N 116270 US10035794, Example 47::US8637508, 47 Beta-secretase 1 Homo sapiens >10000 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602591 199996654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 531876 COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12 InChI=1S/C23H23ClF4N6O3/c1-21(11-37-22(2,20(29)33-21)23(26,27)28)18-13(25)4-5-16(31-18)32-19(35)17-12(24)10-15-14(30-17)6-7-34(15)8-9-36-3/h4-7,10H,8-9,11H2,1-3H3,(H2,29,33)(H,31,32,35)/t21-,22+/m0/s1 LUTGKRKBQRZCOA-FCHUYYIVSA-N 116271 US10035794, Example 48::US8637508, 48 Beta-secretase 1 Homo sapiens 7300 4.5 25.00 C US Patent 10.7270/Q2RB76M3 aid1795585 US10035794 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356243 199996655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589790 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 InChI=1S/C21H25N5O2S/c1-28-18-12-23-17(11-24-18)19(27)25-16-9-5-8-15(10-16)21(13-29-20(22)26-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,26)(H,25,27) NPHZTQGJWPDARN-UHFFFAOYSA-N 116272 US8637504, 2::US9273053, 2::US9650371, 2 Beta-secretase 1 Homo sapiens 514 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547550 199996656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589791 NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27) NMQIAWGHGQYFFH-UHFFFAOYSA-N 116273 US8637504, 3::US9273053, 3::US9650371, 3 Beta-secretase 1 Homo sapiens 966 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242152 199996657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589792 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 PRRHDZGJWFVLLQ-KRWDZBQOSA-N 116274 US8637504, 16::US9270353, 16::US9650371, 16 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44596001 199996658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589793 CC(C)C1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C20H22FN5OS/c1-11(2)17-8-20(4,26-19(22)28-17)14-7-13(5-6-15(14)21)25-18(27)16-10-23-12(3)9-24-16/h5-11H,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1 GBQAYAVBZABKHP-FQEVSTJZSA-N 308067 Intermediate Compound (147)::US9650371, 20 Beta-secretase 1 Homo sapiens 95.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=308067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=308067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106612 382364138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589794 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)C(C)C InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-11H,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1 UVNCQVZNWDINJX-FQEVSTJZSA-N 308068 Compound 200::US9650371, 21 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=308068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=308068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106613 382364139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589795 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 TZBBBHJEGUZHNW-SFHVURJKSA-N 116277 US8637504, 22::US9273053, 22::US9650371, 22 Beta-secretase 1 Homo sapiens 572 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254164 199996661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589796 CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C18H18FN5OS/c1-10-9-26-17(20)24-18(10,3)13-6-12(4-5-14(13)19)23-16(25)15-8-21-11(2)7-22-15/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 BENXRHGKKPMPCO-SFHVURJKSA-N 116278 US8637504, 23::US9273053, 23::US9650371, 23 Beta-secretase 1 Homo sapiens 5280 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254165 199996662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589797 CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H18FN5O2S/c1-4-7-28-17-10-23-16(9-24-17)18(27)25-13-5-6-15(21)14(8-13)20(3)12(2)11-29-19(22)26-20/h1,5-6,8-11H,7H2,2-3H3,(H2,22,26)(H,25,27)/t20-/m0/s1 IVWWVVVKPGCOOY-FQEVSTJZSA-N 116279 US8637504, 24::US9273053, 24::US9650371, 24 Beta-secretase 1 Homo sapiens 54.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951055 199996663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589798 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F InChI=1S/C19H19FN4O3S/c1-19(6-9-28-18(21)24-19)14-10-12(2-4-15(14)20)23-17(26)16-5-3-13(11-22-16)27-8-7-25/h2-6,9-11,25H,7-8H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 XDFXGFOUVTXUNH-IBGZPJMESA-N 308072 US9650371, 33 Beta-secretase 1 Homo sapiens 73.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=308072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=308072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137796563 382364143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589799 Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)n1 InChI=1S/C17H18FN5OS/c1-10-8-14(23(3)22-10)15(24)20-11-4-5-13(18)12(9-11)17(2)6-7-25-16(19)21-17/h4-9H,1-3H3,(H2,19,21)(H,20,24)/t17-/m0/s1 APOPWCCKNBZDGX-KRWDZBQOSA-N 116281 US8637504, 35::US9650371, 35 Beta-secretase 1 Homo sapiens 96.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547854 199996665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589800 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ncco2)ccc1F InChI=1S/C19H15FN6O2S/c1-19(4-7-29-18(21)26-19)12-8-11(2-3-13(12)20)25-16(27)14-9-24-15(10-23-14)17-22-5-6-28-17/h2-10H,1H3,(H2,21,26)(H,25,27)/t19-/m0/s1 JJCQQVUBZIXYGN-IBGZPJMESA-N 116282 US8637504, 38::US9273053, 38::US9650371, 38 Beta-secretase 1 Homo sapiens 304 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254145 199996666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589801 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)-c2ccc[nH]2)ccc1F InChI=1S/C21H18FN5OS/c1-21(8-10-29-20(23)27-21)15-11-14(5-6-16(15)22)26-19(28)18-7-4-13(12-25-18)17-3-2-9-24-17/h2-12,24H,1H3,(H2,23,27)(H,26,28)/t21-/m0/s1 YZPGFBRFPHAZQQ-NRFANRHFSA-N 116283 US8637504, 39::US9273053, 39::US9650371, 39 Beta-secretase 1 Homo sapiens 97.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254040 199996667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589802 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F InChI=1S/C17H16F3N5OS/c1-10-8-23-13(9-22-10)14(26)24-12-4-2-3-11(7-12)16(17(18,19)20)5-6-27-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26) WZPFEWICESTLJD-UHFFFAOYSA-N 116284 US8637504, 44::US9273053, 44::US9650371, 44 Beta-secretase 1 Homo sapiens 2130 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254167 199996668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589803 NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28) VMTMMFRWDONPDM-UHFFFAOYSA-N 116285 US8637504, 46::US9273053, 46::US9650371, 46 Beta-secretase 1 Homo sapiens 611 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909985 199996669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589804 NC1=NC(CCS1)(c1cccc(NC(=O)c2ccc(cn2)C#N)c1)C(F)(F)F InChI=1S/C18H14F3N5OS/c1-23-13-5-6-14(24-10-13)15(27)25-12-4-2-3-11(9-12)17(18(19,20)21)7-8-28-16(22)26-17/h2-6,9-10H,7-8H2,(H2,22,26)(H,25,27) KXLMJYJOQPBSOB-UHFFFAOYSA-N 116286 US8637504, 47::US9273053, 47::US9650371, 47 Beta-secretase 1 Homo sapiens 91.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254041 199996670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589805 COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F InChI=1S/C17H16F3N5O2S/c1-27-13-9-22-12(8-23-13)14(26)24-11-4-2-3-10(7-11)16(17(18,19)20)5-6-28-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26) PGXPQOXTAQHLQV-UHFFFAOYSA-N 116287 US8637504, 48::US9273053, 48::US9650371, 48 Beta-secretase 1 Homo sapiens 273 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254146 199996671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589806 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-6,8-9H,1,7H2,2-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 RIMDLOYRRDVOKF-SFHVURJKSA-N 116288 US8637504, 51::US9273053, 51::US9650371, 51 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254147 199996672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589807 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H18FN5OS/c1-10-8-22-15(9-21-10)16(25)23-12-4-5-14(19)13(6-12)18(3)7-11(2)26-17(20)24-18/h4-6,8-9H,2,7H2,1,3H3,(H2,20,24)(H,23,25)/t18-/m0/s1 QZQWHMZFYGSGBR-SFHVURJKSA-N 116289 US8637504, 53::US9273053, 53::US9650371, 53 Beta-secretase 1 Homo sapiens 76.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254148 199996673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589808 NC1=NC(CS1)(c1cccc(F)c1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C21H15Cl2FN4OS/c22-14-9-17(23)18(26-10-14)19(29)27-16-6-2-4-13(8-16)21(11-30-20(25)28-21)12-3-1-5-15(24)7-12/h1-10H,11H2,(H2,25,28)(H,27,29) ZIESMOMMMSUWDL-UHFFFAOYSA-N 116290 US8637504, 56::US9273053, 56::US9650371, 56 Beta-secretase 1 Homo sapiens 352 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254170 199996674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589809 COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30) LYIXHSBICKAVDY-UHFFFAOYSA-N 116291 US8637504, 58::US9273053, 58::US9650371, 58 Beta-secretase 1 Homo sapiens 186 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254149 199996675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589810 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 IFZDIAKAFRXVOQ-SFHVURJKSA-N 116292 US8637504, 59::US9273053, 59::US9650371, 59 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254150 199996676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589811 Cn1ccnc1COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C21H20FN7O2S/c1-21(5-8-32-20(23)28-21)14-9-13(3-4-15(14)22)27-19(30)16-10-26-18(11-25-16)31-12-17-24-6-7-29(17)2/h3-11H,12H2,1-2H3,(H2,23,28)(H,27,30)/t21-/m0/s1 KEKPFHZBWJUZPV-NRFANRHFSA-N 116293 US8637504, 60::US9273053, 60::US9650371, 60 Beta-secretase 1 Homo sapiens 243 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254076 199996677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589812 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1 AEAGJGOSNUCBGG-FQEVSTJZSA-N 116294 US8637504, 61::US9273053, 61::US9650371, 61 Beta-secretase 1 Homo sapiens 169 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254195 199996678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589813 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cc3NCCn3n2)ccc1F InChI=1S/C17H17FN6OS/c1-17(4-7-26-16(19)22-17)11-8-10(2-3-12(11)18)21-15(25)13-9-14-20-5-6-24(14)23-13/h2-4,7-9,20H,5-6H2,1H3,(H2,19,22)(H,21,25)/t17-/m0/s1 JGSHZHANJDWJJX-KRWDZBQOSA-N 116295 US8637504, 63::US9273053, 63::US9650371, 63 Beta-secretase 1 Homo sapiens 435 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254152 199996679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589814 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(NS(C)(=O)=O)cn2)ccc1F InChI=1S/C17H17FN6O3S2/c1-17(5-6-28-16(19)23-17)11-7-10(3-4-12(11)18)22-15(25)13-8-21-14(9-20-13)24-29(2,26)27/h3-9H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1 JDRDVXZQWKELNV-KRWDZBQOSA-N 116296 US8637504, 66::US9273053, 66::US9650371, 66 Beta-secretase 1 Homo sapiens 296 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242164 199996680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589815 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-5-29-17(20)26-18)12-6-11(2-3-13(12)19)25-16(28)14-7-23-15(8-22-14)27-10-21-9-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1 GGYSKNPJTWNUPH-SFHVURJKSA-N 116297 US8637504, 70::US9273053, 70::US9650371, 70 Beta-secretase 1 Homo sapiens 36.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254083 199996681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589816 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2ccnn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)25-18)12-8-11(2-3-13(12)19)24-16(28)14-9-22-15(10-21-14)27-6-5-23-26-27/h2-10H,1H3,(H2,20,25)(H,24,28)/t18-/m0/s1 XBSFBXNLSIOBOR-SFHVURJKSA-N 116298 US8637504, 72::US9273053, 72::US9650371, 72 Beta-secretase 1 Homo sapiens 250 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254082 199996682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589817 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2nccn2)ccc1F InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1 OYPUAKBOHVWSIH-SFHVURJKSA-N 116299 US8637504, 73::US9273053, 73::US9650371, 73 Beta-secretase 1 Homo sapiens 234 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242162 199996683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589818 Cc1ncnn1-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C19H17FN8OS/c1-11-24-10-25-28(11)16-9-22-15(8-23-16)17(29)26-12-3-4-14(20)13(7-12)19(2)5-6-30-18(21)27-19/h3-10H,1-2H3,(H2,21,27)(H,26,29)/t19-/m0/s1 BWSDBMKPTXUZJP-IBGZPJMESA-N 116300 US8637504, 75::US9273053, 75::US9650371, 75 Beta-secretase 1 Homo sapiens 697 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254154 199996684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589819 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 ILCHBMXUEANZSX-KRWDZBQOSA-N 116301 US8637504, 76::US9273053, 76::US9650371, 76 Beta-secretase 1 Homo sapiens 62.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242161 199996685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589820 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C16H13BrFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1 ANZUTVZXPALJDX-INIZCTEOSA-N 116302 US8637504, 79::US9273053, 79::US9650371, 79 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254173 199996686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589821 Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C21H17BrFN3O2S/c1-11-14-9-12(22)3-6-17(14)28-18(11)19(27)25-13-4-5-16(23)15(10-13)21(2)7-8-29-20(24)26-21/h3-10H,1-2H3,(H2,24,26)(H,25,27)/t21-/m0/s1 RLQSWFVHIPUBCP-NRFANRHFSA-N 116303 US8637504, 81::US9273053, 81::US9650371, 81 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242155 199996687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589822 COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1 KBLRXJDAJAZTFG-KRWDZBQOSA-N 116304 US8637504, 99::US9273053, 99::US9650371, 99 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909950 199996688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589823 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)cnc1Cl InChI=1S/C18H14ClFN6OS/c1-9-5-18(2,26-17(22)28-9)12-4-11(8-24-15(12)19)25-16(27)14-13(20)3-10(6-21)7-23-14/h3-4,7-8H,1,5H2,2H3,(H2,22,26)(H,25,27)/t18-/m0/s1 VTSKAWNFIRGNOY-SFHVURJKSA-N 116305 US8637504, 101::US9273053, 101::US9650371, 101 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88909929 199996689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589824 COc1cnc(cn1)C(=O)Nc1cnc(C)c(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C18H20N6O2S/c1-10-6-18(3,24-17(19)27-10)13-5-12(7-20-11(13)2)23-16(25)14-8-22-15(26-4)9-21-14/h5,7-9H,1,6H2,2-4H3,(H2,19,24)(H,23,25)/t18-/m0/s1 SDVUYBMJJJOPKG-SFHVURJKSA-N 116306 US8637504, 102::US9273053, 102::US9650371, 102 Beta-secretase 1 Homo sapiens 36.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254178 199996690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589825 COc1cnc(cn1)C(=O)Nc1cncc(c1)[C@]1(C)CC(=C)SC(N)=N1 InChI=1S/C17H18N6O2S/c1-10-5-17(2,23-16(18)26-10)11-4-12(7-19-6-11)22-15(24)13-8-21-14(25-3)9-20-13/h4,6-9H,1,5H2,2-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1 FWRHQSSBQXQXID-KRWDZBQOSA-N 116307 US8637504, 104::US9273053, 104::US9650371, 104 Beta-secretase 1 Homo sapiens 63.0 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254052 199996691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 589826 C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 InChI=1S/C18H15ClF3N5OS/c1-9-5-17(2,27-16(23)29-9)10-3-12(8-24-6-10)26-15(28)14-13(19)4-11(7-25-14)18(20,21)22/h3-4,6-8H,1,5H2,2H3,(H2,23,27)(H,26,28)/t17-/m0/s1 ZKSRTQXOCWHFTK-KRWDZBQOSA-N 116308 US8637504, 106::US9273053, 106::US9650371, 106 Beta-secretase 1 Homo sapiens 102 US Patent 10.7270/Q2M047HB aid1796229 US9650371 Hori, A; Yonezawa, S; Fujikoshi, C; Matsumoto, S; Kooriyama, Y; Ueno, T; Kato, T Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254202 199996692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603546 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1ccccc1F InChI=1S/C14H19FN4OS/c1-14(11-6-2-3-7-12(11)15)10-21(20)17-8-4-5-9-19(21)13(16)18-14/h2-3,6-7H,4-5,8-10H2,1H3,(H2,16,18)/t14-,21+/m0/s1 JPTKSXWWKCJVOY-LHSJRXKWSA-N 312910 US9605006, A20a2 Beta-secretase 1 Homo sapiens 1040 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118183147 383539859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603547 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H22FN7O2S/c1-21(13-32(31)26-8-2-3-9-29(32)20(24)28-21)16-10-15(5-6-17(16)22)27-19(30)18-7-4-14(11-23)12-25-18/h4-7,10,12H,2-3,8-9,13H2,1H3,(H2,24,28)(H,27,30)/t21-,32-/m0/s1 TYXNQWJIQRANBK-MNAQKMTRSA-N 312912 US9605006, 1 Beta-secretase 1 Homo sapiens 45.0 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662227 383539861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603548 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H22FN7O2S/c1-21(13-32(31)26-8-2-3-9-29(32)20(24)28-21)16-10-15(5-6-17(16)22)27-19(30)18-7-4-14(11-23)12-25-18/h4-7,10,12H,2-3,8-9,13H2,1H3,(H2,24,28)(H,27,30)/t21-,32+/m0/s1 TYXNQWJIQRANBK-GFJKYASSSA-N 312913 US9605006, 2 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662220 383539862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603549 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1ncc(Cl)cn1 InChI=1S/C21H21ClFN7O2S/c1-21(12-33(31)27-6-2-3-7-30(33)20(24)28-21)15-8-13(4-5-16(15)23)18-9-17(29-32-18)19-25-10-14(22)11-26-19/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,24,28)/t21-,33+/m0/s1 BUTWZYWHNIZHRN-AUSOSSAASA-N 312914 (9R,11R)-7-Amino-9-(5-(3-(5-chloropyrimidin-2-yl)isoxazol-5-yl)-2-fluorophenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 13 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660239 383539863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603550 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1ncc(Cl)cn1 InChI=1S/C21H21ClFN7O2S/c1-21(12-33(31)27-6-2-3-7-30(33)20(24)28-21)15-8-13(4-5-16(15)23)18-9-17(29-32-18)19-25-10-14(22)11-26-19/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,24,28)/t21-,33-/m0/s1 BUTWZYWHNIZHRN-VTLMBFNKSA-N 312915 (9R,11S)-7-Amino-9-(5-(3-(5-chloropyrimidin-2-yl)isoxazol-5-yl)-2-fluorophenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 14 Beta-secretase 1 Homo sapiens 95.0 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660243 383539864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603551 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cn(nn1)-c1ccc(cn1)C#N InChI=1S/C22H22FN9OS/c1-22(14-34(33)27-8-2-3-9-32(34)21(25)28-22)17-10-16(5-6-18(17)23)19-13-31(30-29-19)20-7-4-15(11-24)12-26-20/h4-7,10,12-13H,2-3,8-9,14H2,1H3,(H2,25,28)/t22-,34-/m0/s1 HMXDSFCDXRAART-RIPCNWKXSA-N 312916 6-(4-(3-((9R,11S)-7-Amino-9-methyl-11-oxido-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepin-9-yl)-4-fluorophenyl)-1H-1,2,3-triazol-1-yl)nicotinonitrile 2,2,2-trifluoroacetate::US9605006, 15 Beta-secretase 1 Homo sapiens 95.0 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660238 383539865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603552 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N InChI=1S/C23H22FN5OS/c1-23(16-31(30)27-12-2-3-13-29(31)22(26)28-23)20-14-18(10-11-21(20)24)7-4-17-5-8-19(15-25)9-6-17/h5-6,8-11,14H,2-3,12-13,16H2,1H3,(H2,26,28)/t23-,31+/m0/s1 OPNMDNOJVVSABG-GTYOFVGBSA-N 312917 4-43-49R,11R)-7-Amino-9-methyl-11-oxido-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepin-9-yl)-4-fluorophenyl)ethynyl)benzonitrile 2,2,2-trifluoroacetate::US9605006, 16 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660245 383539866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603553 COc1cnc(cn1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C22H24FN7O3S/c1-22(13-34(31)27-7-3-4-8-30(34)21(24)28-22)15-9-14(5-6-16(15)23)19-10-17(29-33-19)18-11-26-20(32-2)12-25-18/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H2,24,28)/t22-,34+/m0/s1 YLZAEXFJSJVFKG-XSJBNIOMSA-N 312918 (9R,11R)-7-Amino-9-(2-fluoro-5-(3-(5-methoxypyrazin-2-yl)isoxazol-5-yl)phenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 17 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660246 383539867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603554 COc1cnc(cn1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C22H24FN7O3S/c1-22(13-34(31)27-7-3-4-8-30(34)21(24)28-22)15-9-14(5-6-16(15)23)19-10-17(29-33-19)18-11-26-20(32-2)12-25-18/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H2,24,28)/t22-,34-/m0/s1 YLZAEXFJSJVFKG-RIPCNWKXSA-N 312919 (9R,118)-7-Amino-9-(2-fluoro-5-(3-(5-methoxypyrazin-2-yl)isoxazol-5-yl)phenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 18 Beta-secretase 1 Homo sapiens 694 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660240 383539868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603555 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1cnc(OCC(F)F)cn1 InChI=1S/C23H24F3N7O3S/c1-23(13-37(34)30-6-2-3-7-33(37)22(27)31-23)15-8-14(4-5-16(15)24)19-9-17(32-36-19)18-10-29-21(11-28-18)35-12-20(25)26/h4-5,8-11,20H,2-3,6-7,12-13H2,1H3,(H2,27,31)/t23-,37+/m0/s1 ASLGIYZQEHJQDZ-TVTAGSDZSA-N 312920 (9R,11R)-7-Amino-9-(5-(3-(5-(2,2-difluoroethoxy)pyrazin-2-yl)isoxazol-5-yl)-2-fluorophenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 19 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660247 383539869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603556 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C21H21ClFN7O2S/c1-21(12-33(32)27-6-2-3-7-30(33)20(25)29-21)15-9-14(4-5-17(15)23)28-19(31)18-16(22)8-13(10-24)11-26-18/h4-5,8-9,11H,2-3,6-7,12H2,1H3,(H2,25,29)(H,28,31)/t21-,33+/m0/s1 PBUCOPSRJPMXJB-AUSOSSAASA-N 312921 3-Chloro-5-cyano-pyridine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 20 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662211 383539870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603557 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C22H24F4N6O3S/c1-21(13-36(34)29-8-2-3-9-32(36)20(27)31-21)16-10-14(4-6-17(16)23)30-19(33)18-7-5-15(11-28-18)35-12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H2,27,31)(H,30,33)/t21-,36+/m0/s1 IZKQXZJFEZWPQH-MCTOTANMSA-N 312922 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 21 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662225 383539871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603558 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C23H26FN7O3S/c1-3-4-11-34-20-14-26-19(13-27-20)21(32)29-16-7-8-18(24)17(12-16)23(2)15-35(33)28-9-5-6-10-31(35)22(25)30-23/h7-8,12-14H,5-6,9-11,15H2,1-2H3,(H2,25,30)(H,29,32)/t23-,35+/m0/s1 QGBHKZZINIDUSU-IYLMVCPTSA-N 312923 5-But-2-ynyloxy-pyrazine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 22 Beta-secretase 1 Homo sapiens 0.200 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91810398 383539872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603559 Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C21H24F2N6O2S/c1-13-9-14(22)11-25-18(13)19(30)27-15-5-6-17(23)16(10-15)21(2)12-32(31)26-7-3-4-8-29(32)20(24)28-21/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,24,28)(H,27,30)/t21-,32+/m0/s1 WWGKDRARRKPDPH-GFJKYASSSA-N 312925 5-Fluoro-3-methyl-pyridine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 23 Beta-secretase 1 Homo sapiens 1.50 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662233 383539874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603560 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS2(=O)=NCC(F)(F)CN2C(N)=N1)C#N InChI=1S/C21H20F3N7O2S/c1-12-5-13(7-25)8-27-17(12)18(32)29-14-3-4-16(22)15(6-14)20(2)11-34(33)28-9-21(23,24)10-31(34)19(26)30-20/h3-6,8H,9-11H2,1-2H3,(H2,26,30)(H,29,32)/t20-,34?/m0/s1 VVVXPJAFSILLPR-FGKHMDTNSA-N 312926 N-(3-((8R)-6-amino-3,3-difluoro-8-methyl-10-oxido-3,4,8,9-tetrahydro-2H-[1,2,6]thiadiazino[1,2-a][1,2,4]thiadiazin-8-yl)-4-fluorophenyl)-5-cyano-3-methylpicolinamide::US9605006, 25 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2PG1TS8 aid1796406 US9605006 Guba, W; Haap, W; Kuglstatter, A; Peters, J; Sander, UO; Schnider, C; Wermuth, R; Woltering, T Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662226 383539875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603565 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens >100000 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603566 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H20F3N5O3S/c1-10-6-11-8-32-19(24)28-20(11,9-30-10)16-13(21)3-5-15(26-16)27-17(29)14-4-2-12(7-25-14)31-18(22)23/h2-5,7,10-11,18H,6,8-9H2,1H3,(H2,24,28)(H,26,27,29)/t10-,11-,20-/m0/s1 NCLSCERPSPVBHT-MKXJDEKUSA-N 223398 US9315520, Comparator 2::US9315520, Comparator 3::US9605007, Comparator 2::US9744173, Comparator 2 Beta-secretase 1 Homo sapiens 43.0 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441558 336285272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603567 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H21F3N4O3S/c1-11-6-12-9-32-20(25)28-21(12,10-30-11)15-7-13(2-4-16(15)22)27-18(29)17-5-3-14(8-26-17)31-19(23)24/h2-5,7-8,11-12,19H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t11-,12-,21-/m0/s1 ZRDISNFFMHLYBW-OABGYEMISA-N 312936 US9605007, Comparator 3::US9744173, Comparator 4 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441559 383539885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603568 NC1=N[C@]2(COCC[C@H]2CS1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H19F3N4O3S/c21-15-3-1-12(26-17(28)16-4-2-13(8-25-16)30-18(22)23)7-14(15)20-10-29-6-5-11(20)9-31-19(24)27-20/h1-4,7-8,11,18H,5-6,9-10H2,(H2,24,27)(H,26,28)/t11-,20-/m0/s1 QRAMMCLVMBTOID-YBTHPKLGSA-N 223406 US9315520, Comparator 4::US9605007, Comparator 4 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45279898 336285274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603569 NC1=N[C@]2(COCC[C@H]2CS1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C18H17N5O2S2/c19-6-11-1-2-14(21-7-11)16(24)22-13-5-15(26-9-13)18-10-25-4-3-12(18)8-27-17(20)23-18/h1-2,5,7,9,12H,3-4,8,10H2,(H2,20,23)(H,22,24)/t12-,18-/m0/s1 LAOKNTCIMWLGDD-SGTLLEGYSA-N 312939 Ex. 64 of US 8198269::US9605007, Comparator 5 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45279956 383539888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603570 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C(F)(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H18F6N4O3S/c22-14-3-1-11(30-17(32)15-4-2-12(7-29-15)34-18(23)24)6-13(14)20-9-33-16(21(25,26)27)5-10(20)8-35-19(28)31-20/h1-4,6-7,10,16,18H,5,8-9H2,(H2,28,31)(H,30,32)/t10-,16+,20-/m0/s1 FLRLJQHWZJIQAA-OJTOOCJTSA-N 223413 US9315520, Comparator 6::US9605007, Comparator 6::US9744173, Comparator 6 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45278903 336285281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603571 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O2S/c1-11-6-12-9-29-19(23)26-20(12,10-28-11)15-7-14(3-4-16(15)22)25-18(27)17-5-2-13(21)8-24-17/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,23,26)(H,25,27)/t11-,12-,20-/m0/s1 UOHXUSCZQJMWQO-PVUDRZGPSA-N 223358 US9315520, Comparator 7::US9605007, Comparator 7::US9744173, Comparator 7 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2JQ133S aid1796407 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45279589 336285233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603589 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 41 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603590 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 31 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603591 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C17H18F2N6O3S2/c1-8-2-9-5-30-16(20)25-17(9,7-27-8)14-24-11(6-29-14)23-13(26)10-3-22-12(4-21-10)28-15(18)19/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 DVDAZKKMTJRHDZ-GSRNSYJJSA-N 312934 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyrazine-2-carboxamide::US9605007, Example 2 Beta-secretase 1 Homo sapiens 7.30 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435382 383539883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603592 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CF)n2)cs1 InChI=1S/C16H18FN5O3S2/c1-8-2-9-5-27-15(18)22-16(9,7-25-8)14-21-11(6-26-14)20-13(23)10-4-24-12(3-17)19-10/h4,6,8-9H,2-3,5,7H2,1H3,(H2,18,22)(H,20,23)/t8-,9-,16-/m0/s1 ABEZBNOKPIPPHW-BEPCFFQHSA-N 312935 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-2-(fluoromethyl)-1,3-oxazole-4-carboxamide::US9605007, Example 3 Beta-secretase 1 Homo sapiens 0.70 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435379 383539884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603593 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 InChI=1S/C16H18F2N6O2S2/c1-8-4-9-5-28-15(19)22-16(9,7-26-8)13-21-11(6-27-13)20-12(25)10-2-3-24(23-10)14(17)18/h2-3,6,8-9,14H,4-5,7H2,1H3,(H2,19,22)(H,20,25)/t8-,9-,16-/m0/s1 RODMHPIORBBNPR-BEPCFFQHSA-N 312938 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide::US9605007, Example 4 Beta-secretase 1 Homo sapiens 0.90 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435363 383539887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603594 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C18H18N6O2S2/c1-10-4-12-7-28-17(20)24-18(12,9-26-10)16-23-14(8-27-16)22-15(25)13-3-2-11(5-19)6-21-13/h2-3,6,8,10,12H,4,7,9H2,1H3,(H2,20,24)(H,22,25)/t10-,12-,18-/m0/s1 TYNXFCODUDWTAD-RSNWOKGLSA-N 312940 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-cyanopyridine-2-carboxamide::US9605007, Example 5 Beta-secretase 1 Homo sapiens 22 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435403 383539889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603595 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 InChI=1S/C16H17ClF2N6O2S2/c1-7-2-8-4-29-15(20)23-16(8,6-27-7)13-22-10(5-28-13)21-12(26)11-9(17)3-25(24-11)14(18)19/h3,5,7-8,14H,2,4,6H2,1H3,(H2,20,23)(H,21,26)/t7-,8-,16-/m0/s1 WKQPDCHFDUEQDH-UFIJUMAVSA-N 312941 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide::US9605007, Example 6 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435455 383539890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603596 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H18ClN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 UFKMIVRYLMOXNT-YMNVWFMLSA-N 223396 US9315520, 7::US9315520, Example 7::US9605007, Example 7 Beta-secretase 1 Homo sapiens 33 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435407 336285271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603597 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H18ClN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 UFKMIVRYLMOXNT-YMNVWFMLSA-N 223396 US9315520, 7::US9315520, Example 7::US9605007, Example 7 Beta-secretase 1 Homo sapiens 19 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435407 336285271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603598 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C(F)F)cs1 InChI=1S/C16H17F2N5O3S2/c1-7-2-8-4-28-15(19)23-16(8,6-26-7)14-22-10(5-27-14)21-12(24)9-3-25-13(20-9)11(17)18/h3,5,7-8,11H,2,4,6H2,1H3,(H2,19,23)(H,21,24)/t7-,8-,16-/m0/s1 JVQDIEFSJNEVEV-UFIJUMAVSA-N 312943 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-2-(difluoromethyl)-1,3-oxazole-4-carboxamide::US9605007, Example 8 Beta-secretase 1 Homo sapiens 11 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435518 383539892 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603599 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 InChI=1S/C17H18FN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 QQBRRRLRJBDPNK-YMNVWFMLSA-N 223322 US9315520, 9::US9605007, Example 9::US9744173, Example 9 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435412 336285197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603600 COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H20N6O3S2/c1-9-3-10-6-28-16(18)23-17(10,8-26-9)15-22-12(7-27-15)21-14(24)11-4-20-13(25-2)5-19-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,18,23)(H,21,24)/t9-,10-,17-/m0/s1 OWMWOBMERLAIGE-YMNVWFMLSA-N 223323 US9315520, 10::US9605007, Example 10::US9744173, Example 10 Beta-secretase 1 Homo sapiens 536 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435506 336285198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603601 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(CF)cn2)cs1 InChI=1S/C17H19FN6O2S2/c1-9-2-10-6-28-16(19)24-17(10,8-26-9)15-23-13(7-27-15)22-14(25)12-5-20-11(3-18)4-21-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,19,24)(H,22,25)/t9-,10-,17-/m0/s1 CBLCZFAAVKWPBF-YMNVWFMLSA-N 223324 US9315520, 11::US9605007, Example 11::US9744173, Example 11 Beta-secretase 1 Homo sapiens 315 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435396 336285199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603602 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(F)F)cn2)cs1 InChI=1S/C18H20F2N6O3S2/c1-9-2-10-6-31-17(21)26-18(10,8-29-9)16-25-13(7-30-16)24-15(27)11-3-23-14(4-22-11)28-5-12(19)20/h3-4,7,9-10,12H,2,5-6,8H2,1H3,(H2,21,26)(H,24,27)/t9-,10-,18-/m0/s1 MTELPMJTUUXMHL-RAALSFIWSA-N 223325 US9315520, 12::US9605007, Example 12::US9744173, Example 12 Beta-secretase 1 Homo sapiens 280 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435479 336285200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603603 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 InChI=1S/C18H20FN5O2S2/c1-9-3-12(19)5-21-14(9)15(25)22-13-7-27-16(23-13)18-8-26-10(2)4-11(18)6-28-17(20)24-18/h3,5,7,10-11H,4,6,8H2,1-2H3,(H2,20,24)(H,22,25)/t10-,11-,18-/m0/s1 MKJNGYHYSXIWAW-FHGNATFXSA-N 223326 US9315520, 13::US9605007, Example 13::US9744173, Example 13 Beta-secretase 1 Homo sapiens 90 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435617 336285201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603604 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cc2)cs1 InChI=1S/C18H19FN4O2S2/c1-10-6-12-7-27-17(20)23-18(12,9-25-10)16-22-14(8-26-16)21-15(24)11-2-4-13(19)5-3-11/h2-5,8,10,12H,6-7,9H2,1H3,(H2,20,23)(H,21,24)/t10-,12-,18-/m0/s1 BTGCUXLUENXMRM-RSNWOKGLSA-N 223327 US9315520, 14::US9605007, Example 14 Beta-secretase 1 Homo sapiens 866 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435369 336285202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603605 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)F)cs1 InChI=1S/C17H18F2N6O2S2/c1-8-2-9-5-29-16(20)25-17(9,7-27-8)15-24-12(6-28-15)23-14(26)11-4-21-10(3-22-11)13(18)19/h3-4,6,8-9,13H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 JYZPKERPINZOAQ-GSRNSYJJSA-N 223328 US9315520, 15::US9605007, Example 15::US9744173, Example 15 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435488 336285203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603606 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)(F)F)cs1 InChI=1S/C17H17F3N6O2S2/c1-8-2-9-5-30-15(21)26-16(9,7-28-8)14-25-12(6-29-14)24-13(27)10-3-23-11(4-22-10)17(18,19)20/h3-4,6,8-9H,2,5,7H2,1H3,(H2,21,26)(H,24,27)/t8-,9-,16-/m0/s1 DQNJGYDIUVGGMU-BEPCFFQHSA-N 223329 US9315520, 16::US9605007, Example 16::US9744173, Example 16 Beta-secretase 1 Homo sapiens 193 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435464 336285204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603607 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 InChI=1S/C18H18F3N5O2S2/c1-9-4-11-6-30-16(22)26-17(11,8-28-9)15-25-13(7-29-15)24-14(27)12-3-2-10(5-23-12)18(19,20)21/h2-3,5,7,9,11H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,11-,17-/m0/s1 ZZHRZUNUORUAKI-NSTVUXKKSA-N 223330 US9315520, 17::US9605007, Example 17::US9744173, Example 17 Beta-secretase 1 Homo sapiens 54 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435560 336285205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603608 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2F)cs1 InChI=1S/C17H17F2N5O2S2/c1-8-2-9-5-28-16(20)24-17(9,7-26-8)15-23-12(6-27-15)22-14(25)13-11(19)3-10(18)4-21-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,20,24)(H,22,25)/t8-,9-,17-/m0/s1 KPPHBCMVHQAEJD-GSRNSYJJSA-N 223331 US9315520, 18::US9605007, Example 18::US9744173, Example 18 Beta-secretase 1 Homo sapiens 153 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435529 336285206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603609 COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H21N5O3S2/c1-10-5-11-7-28-17(19)23-18(11,9-26-10)16-22-14(8-27-16)21-15(24)13-4-3-12(25-2)6-20-13/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,19,23)(H,21,24)/t10-,11-,18-/m0/s1 FAOQHMUWUIPURU-FHGNATFXSA-N 223332 US9315520, 19::US9605007, Example 19::US9744173, Example 19 Beta-secretase 1 Homo sapiens 259 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435601 336285207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603610 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 InChI=1S/C18H18F3N5O3S2/c1-9-4-10-6-31-16(22)26-17(10,8-28-9)15-25-13(7-30-15)24-14(27)12-3-2-11(5-23-12)29-18(19,20)21/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,10-,17-/m0/s1 JGHWELLXLGSIDW-YMNVWFMLSA-N 223333 US9315520, 20::US9605007, Example 20::US9744173, Example 20 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435414 336285208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603611 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cc2)cs1 InChI=1S/C19H20F2N4O3S2/c1-10-6-12-7-30-18(22)25-19(12,9-27-10)16-24-14(8-29-16)23-15(26)11-2-4-13(5-3-11)28-17(20)21/h2-5,8,10,12,17H,6-7,9H2,1H3,(H2,22,25)(H,23,26)/t10-,12-,19-/m0/s1 OPDKSXUPVRRQFC-DKHZXNSXSA-N 223334 US9315520, 21::US9605007, Example 21::US9744173, Example 21 Beta-secretase 1 Homo sapiens 106 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435377 336285209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603612 CC#CCOc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H22N6O3S2/c1-3-4-5-28-16-8-22-14(7-23-16)17(27)24-15-10-30-18(25-15)20-11-29-12(2)6-13(20)9-31-19(21)26-20/h7-8,10,12-13H,5-6,9,11H2,1-2H3,(H2,21,26)(H,24,27)/t12-,13-,20-/m0/s1 VBTNLZCJDCSFOZ-QAJFTPDKSA-N 223335 US9315520, 22::US9605007, Example 22::US9744173, Example 22 Beta-secretase 1 Homo sapiens 13 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435549 336285210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603613 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc3ccccn3n2)cs1 InChI=1S/C19H20N6O2S2/c1-11-6-12-8-29-18(20)23-19(12,10-27-11)17-22-15(9-28-17)21-16(26)14-7-13-4-2-3-5-25(13)24-14/h2-5,7,9,11-12H,6,8,10H2,1H3,(H2,20,23)(H,21,26)/t11-,12-,19-/m0/s1 CVBNXPCVRUETLV-ZKTNFTSUSA-N 223336 US9315520, 23::US9605007, Example 23::US9744173, Example 23 Beta-secretase 1 Homo sapiens 1000 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435489 336285211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603614 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(C)n2)cs1 InChI=1S/C16H20N6O2S2/c1-9-5-10-6-26-15(17)20-16(10,8-24-9)14-19-12(7-25-14)18-13(23)11-3-4-22(2)21-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,17,20)(H,18,23)/t9-,10-,16-/m0/s1 ODHPORBDAZCOFR-PUTJDCORSA-N 223337 US9315520, 24::US9605007, Example 24::US9744173, Example 24 Beta-secretase 1 Homo sapiens 81 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435557 336285212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603615 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)F)cs1 InChI=1S/C18H19F2N5O2S2/c1-9-4-11-6-29-17(21)25-18(11,8-27-9)16-24-13(7-28-16)23-15(26)12-3-2-10(5-22-12)14(19)20/h2-3,5,7,9,11,14H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,11-,18-/m0/s1 VODMRWRUUKHXBB-DNTLEWNLSA-N 223338 US9315520, 25::US9605007, Example 25::US9744173, Example 25 Beta-secretase 1 Homo sapiens 74 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435434 336285213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603616 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCF)cn2)cs1 InChI=1S/C18H20FN5O3S2/c1-10-4-11-6-29-17(20)24-18(11,8-26-10)16-23-14(7-28-16)22-15(25)13-3-2-12(5-21-13)27-9-19/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H2,20,24)(H,22,25)/t10-,11-,18-/m0/s1 VEDHYWULCFLZLU-FHGNATFXSA-N 223339 US9315520, 26::US9605007, Example 26::US9744173, Example 26 Beta-secretase 1 Homo sapiens 68 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435370 336285214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603617 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C2CC2)cs1 InChI=1S/C18H21N5O3S2/c1-9-4-11-6-28-17(19)23-18(11,8-26-9)16-22-13(7-27-16)21-14(24)12-5-25-15(20-12)10-2-3-10/h5,7,9-11H,2-4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,11-,18-/m0/s1 VFCAYPOLCRSWNC-DNTLEWNLSA-N 223340 US9315520, 27::US9605007, Example 27::US9744173, Example 27 Beta-secretase 1 Homo sapiens 1310 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435408 336285215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603618 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnccn2)cs1 InChI=1S/C16H18N6O2S2/c1-9-4-10-6-26-15(17)22-16(10,8-24-9)14-21-12(7-25-14)20-13(23)11-5-18-2-3-19-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,17,22)(H,20,23)/t9-,10-,16-/m0/s1 IKSLBTJLVKHCPK-PUTJDCORSA-N 223341 US9315520, 28::US9605007, Example 28::US9744173, Example 28 Beta-secretase 1 Homo sapiens 647 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435554 336285216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603619 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nc2C)cs1 InChI=1S/C17H22N6O2S2/c1-9-4-11-6-27-16(18)21-17(11,8-25-9)15-20-13(7-26-15)19-14(24)12-5-23(3)22-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3,(H2,18,21)(H,19,24)/t9-,11-,17-/m0/s1 AMFCYNCVUSEZKE-NSTVUXKKSA-N 223342 US9315520, 29::US9605007, Example 29::US9744173, Example 29 Beta-secretase 1 Homo sapiens 1990 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435390 336285217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603620 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cccnn2)cs1 InChI=1S/C16H18N6O2S2/c1-9-5-10-6-26-15(17)21-16(10,8-24-9)14-20-12(7-25-14)19-13(23)11-3-2-4-18-22-11/h2-4,7,9-10H,5-6,8H2,1H3,(H2,17,21)(H,19,23)/t9-,10-,16-/m0/s1 KQUUSQLBNZEBSG-PUTJDCORSA-N 223343 US9315520, 30::US9605007, Example 30::US9744173, Example 30 Beta-secretase 1 Homo sapiens 2160 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435620 336285218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603621 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C2CC2)cs1 InChI=1S/C18H21N5O3S2/c1-9-4-11-6-28-17(19)22-18(11,8-25-9)16-21-14(7-27-16)20-15(24)12-5-13(26-23-12)10-2-3-10/h5,7,9-11H,2-4,6,8H2,1H3,(H2,19,22)(H,20,24)/t9-,11-,18-/m0/s1 KENHHNMXVIAHLZ-DNTLEWNLSA-N 223344 US9315520, 31::US9605007, Example 31::US9744173, Example 31 Beta-secretase 1 Homo sapiens 3820 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435580 336285219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603622 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C(F)(F)F)cs1 InChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)23-15(8,6-26-7)13-22-11(5-28-13)21-12(25)9-3-10(27-24-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,23)(H,21,25)/t7-,8-,15-/m0/s1 JYRNKTIZIIHCIG-VQLIFVOLSA-N 223345 US9315520, 32::US9605007, Example 32::US9744173, Example 32 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435419 336285220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603623 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(cn2)C2CCC2)cs1 InChI=1S/C19H24N6O2S2/c1-11-5-12-7-29-18(20)24-19(12,9-27-11)17-23-15(8-28-17)22-16(26)14-6-25(10-21-14)13-3-2-4-13/h6,8,10-13H,2-5,7,9H2,1H3,(H2,20,24)(H,22,26)/t11-,12-,19-/m0/s1 ITYWKJYCAPJVMB-ZKTNFTSUSA-N 223346 US9315520, 33::US9605007, Example 33::US9744173, Example 33 Beta-secretase 1 Homo sapiens 34100 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435373 336285221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603624 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(nn2C)C2CCC2)cs1 InChI=1S/C20H26N6O2S2/c1-11-6-13-8-30-19(21)24-20(13,10-28-11)18-23-16(9-29-18)22-17(27)15-7-14(25-26(15)2)12-4-3-5-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H2,21,24)(H,22,27)/t11-,13-,20-/m0/s1 SSQFRZCBPFEOAS-LOOLNKMNSA-N 223347 US9315520, 34::US9605007, Example 34::US9744173, Example 34 Beta-secretase 1 Homo sapiens 1480 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435514 336285222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603625 COCc1cc(no1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O4S2/c1-9-3-10-6-28-16(18)21-17(10,8-25-9)15-20-13(7-27-15)19-14(23)12-4-11(5-24-2)26-22-12/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,18,21)(H,19,23)/t9-,10-,17-/m0/s1 WOYRAWQEJFVPFI-YMNVWFMLSA-N 223348 US9315520, 35::US9605007, Example 35::US9744173, Example 35 Beta-secretase 1 Homo sapiens 5860 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435391 336285223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603626 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(=O)n(C)c2)cs1 InChI=1S/C18H21N5O3S2/c1-10-5-12-7-28-17(19)22-18(12,9-26-10)16-21-13(8-27-16)20-15(25)11-3-4-14(24)23(2)6-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,19,22)(H,20,25)/t10-,12-,18-/m0/s1 IECQITLUAYZASQ-RSNWOKGLSA-N 223349 US9315520, 36::US9605007, Example 36::US9744173, Example 36 Beta-secretase 1 Homo sapiens 1410 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435444 336285224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603627 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC(F)F)cn2)cs1 InChI=1S/C19H21F2N5O3S2/c1-10-4-11-7-31-18(22)26-19(11,9-29-10)17-25-15(8-30-17)24-16(27)13-3-2-12(5-23-13)28-6-14(20)21/h2-3,5,8,10-11,14H,4,6-7,9H2,1H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 ZPUSXGOIEYOOMF-ADWYPQAOSA-N 223350 US9315520, 37::US9605007, Example 37::US9744173, Example 37 Beta-secretase 1 Homo sapiens 485 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435462 336285225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603628 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C(F)(F)F)cs1 InChI=1S/C17H18F3N5O3S2/c1-7-3-9-4-30-15(21)25-16(9,6-27-7)14-24-10(5-29-14)23-13(26)11-12(17(18,19)20)28-8(2)22-11/h5,7,9H,3-4,6H2,1-2H3,(H2,21,25)(H,23,26)/t7-,9-,16-/m0/s1 ASVFESAYRASUCE-VNNFXVPXSA-N 223351 US9315520, 38::US9605007, Example 38::US9744173, Example 38 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435358 336285226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603629 CCc1cc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 InChI=1S/C18H24N6O2S2/c1-4-12-6-13(24(3)23-12)15(25)20-14-8-27-16(21-14)18-9-26-10(2)5-11(18)7-28-17(19)22-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,19,22)(H,20,25)/t10-,11-,18-/m0/s1 CGRINOQDQPTZNQ-FHGNATFXSA-N 223352 US9315520, 39::US9605007, Example 39::US9744173, Example 39 Beta-secretase 1 Homo sapiens 369 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435438 336285227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603630 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(C)n2)cs1 InChI=1S/C15H19N7O2S2/c1-8-3-9-5-26-14(16)20-15(9,7-24-8)13-19-11(6-25-13)18-12(23)10-4-17-22(2)21-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,16,20)(H,18,23)/t8-,9-,15-/m0/s1 ZYZWEQGTOMZDFU-UTEYVOQOSA-N 223353 US9315520, 40::US9605007, Example 40::US9744173, Example 40 Beta-secretase 1 Homo sapiens 134 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435558 336285228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603631 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)nn2C)cs1 InChI=1S/C17H22N6O2S2/c1-9-4-12(23(3)22-9)14(24)19-13-7-26-15(20-13)17-8-25-10(2)5-11(17)6-27-16(18)21-17/h4,7,10-11H,5-6,8H2,1-3H3,(H2,18,21)(H,19,24)/t10-,11-,17-/m0/s1 BFNZIGAGWOZILF-DINDLPBHSA-N 223354 US9315520, 41::US9605007, Example 41::US9744173, Example 41 Beta-secretase 1 Homo sapiens 364 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435589 336285229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603632 CCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O3S2/c1-3-13-19-11(5-24-13)14(23)20-12-7-26-15(21-12)17-8-25-9(2)4-10(17)6-27-16(18)22-17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,22)(H,20,23)/t9-,10-,17-/m0/s1 XCOKYPIHKSJERY-YMNVWFMLSA-N 223355 US9315520, 42::US9605007, Example 42::US9744173, Example 42 Beta-secretase 1 Homo sapiens 341 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435425 336285230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603633 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncn(C)n2)cs1 InChI=1S/C15H19N7O2S2/c1-8-3-9-4-26-14(16)20-15(9,6-24-8)13-19-10(5-25-13)18-12(23)11-17-7-22(2)21-11/h5,7-9H,3-4,6H2,1-2H3,(H2,16,20)(H,18,23)/t8-,9-,15-/m0/s1 XSHMGCWZBJZOJD-UTEYVOQOSA-N 223356 US9315520, 43::US9605007, Example 43::US9744173, Example 43 Beta-secretase 1 Homo sapiens 435 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435544 336285231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603634 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(C)(F)F)cn2)cs1 InChI=1S/C19H21F2N5O3S2/c1-10-5-11-7-31-17(22)26-19(11,9-28-10)16-25-14(8-30-16)24-15(27)13-4-3-12(6-23-13)29-18(2,20)21/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 VDCUDRLINVFMIC-ADWYPQAOSA-N 223357 US9315520, 44::US9605007, Example 44::US9744173, Example 44 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435495 336285232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603635 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O3S2/c1-9-3-12(29-17(20)21)5-23-14(9)15(27)24-13-7-30-16(25-13)19-8-28-10(2)4-11(19)6-31-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 CHAGAOAUIITKPC-ADWYPQAOSA-N 223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45 Beta-secretase 1 Homo sapiens 23 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435524 336285273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603636 COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)n1 InChI=1S/C18H22N6O3S2/c1-9-4-11-6-29-17(19)24-18(11,8-27-9)16-23-12(7-28-16)22-15(25)14-10(2)21-13(26-3)5-20-14/h5,7,9,11H,4,6,8H2,1-3H3,(H2,19,24)(H,22,25)/t9-,11-,18-/m0/s1 SXWPACCPHBMXRP-DNTLEWNLSA-N 223359 US9315520, 46::US9605007, Example 46::US9744173, Example 46 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435507 336285234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603637 COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)c1 InChI=1S/C19H23N5O3S2/c1-10-4-13(26-3)6-21-15(10)16(25)22-14-8-28-17(23-14)19-9-27-11(2)5-12(19)7-29-18(20)24-19/h4,6,8,11-12H,5,7,9H2,1-3H3,(H2,20,24)(H,22,25)/t11-,12-,19-/m0/s1 NIJBHFCCBZSVIL-ZKTNFTSUSA-N 223360 US9315520, 47::US9605007, Example 47::US9744173, Example 47 Beta-secretase 1 Homo sapiens 101 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435595 336285235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603638 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)nc2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-11-6-30-17(21)25-18(11,8-27-9)15-24-12(7-29-15)23-14(26)10-2-3-13(22-5-10)28-16(19)20/h2-3,5,7,9,11,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,11-,18-/m0/s1 FHBJDCALKCDUTG-DNTLEWNLSA-N 223361 US9315520, 48::US9605007, Example 48::US9744173, Example 48 Beta-secretase 1 Homo sapiens 232 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223361&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435584 336285236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603639 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(C)n2)cs1 InChI=1S/C16H19N5O3S2/c1-8-3-10-5-26-15(17)21-16(10,7-24-8)14-20-12(6-25-14)19-13(22)11-4-23-9(2)18-11/h4,6,8,10H,3,5,7H2,1-2H3,(H2,17,21)(H,19,22)/t8-,10-,16-/m0/s1 GBRGCYPLTRHZCZ-ACZUWMGVSA-N 223362 US9315520, 49::US9605007, Example 49::US9744173, Example 49 Beta-secretase 1 Homo sapiens 103 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223362&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435456 336285237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603640 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C(F)(F)F)cs1 InChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)24-15(8,6-27-7)13-23-10(5-28-13)22-11(25)9-3-26-12(21-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,24)(H,22,25)/t7-,8-,15-/m0/s1 OFGNUYLKKKCTPY-VQLIFVOLSA-N 223363 US9315520, 50::US9605007, Example 50::US9744173, Example 50 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435594 336285238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603641 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)no2)cs1 InChI=1S/C15H18N6O3S2/c1-7-3-9-4-26-14(16)20-15(9,6-23-7)13-19-10(5-25-13)18-11(22)12-17-8(2)21-24-12/h5,7,9H,3-4,6H2,1-2H3,(H2,16,20)(H,18,22)/t7-,9-,15-/m0/s1 AQIUHWLUHZEXFK-UHCFIKNESA-N 223364 US9315520, 51::US9605007, Example 51::US9744173, Example 51 Beta-secretase 1 Homo sapiens 98 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435569 336285239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603642 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2noc(C)n2)cs1 InChI=1S/C15H18N6O3S2/c1-7-3-9-4-26-14(16)20-15(9,6-23-7)13-19-10(5-25-13)18-12(22)11-17-8(2)24-21-11/h5,7,9H,3-4,6H2,1-2H3,(H2,16,20)(H,18,22)/t7-,9-,15-/m0/s1 YZIWNCOTCWRMSQ-UHCFIKNESA-N 223365 US9315520, 52::US9605007, Example 52::US9744173, Example 52 Beta-secretase 1 Homo sapiens 91 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435517 336285240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603643 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C)cs1 InChI=1S/C17H21N5O3S2/c1-8-4-11-5-27-16(18)22-17(11,7-24-8)15-21-12(6-26-15)20-14(23)13-9(2)25-10(3)19-13/h6,8,11H,4-5,7H2,1-3H3,(H2,18,22)(H,20,23)/t8-,11-,17-/m0/s1 AZQXJBAPDQNPHK-UUFZHILXSA-N 223366 US9315520, 53::US9605007, Example 53::US9744173, Example 53 Beta-secretase 1 Homo sapiens 65 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435553 336285241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603644 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC3CC3)cn2)cs1 InChI=1S/C20H24N6O3S2/c1-11-4-13-8-31-19(21)26-20(13,10-29-11)18-25-15(9-30-18)24-17(27)14-5-23-16(6-22-14)28-7-12-2-3-12/h5-6,9,11-13H,2-4,7-8,10H2,1H3,(H2,21,26)(H,24,27)/t11-,13-,20-/m0/s1 NTZLXCBNRLXSKA-LOOLNKMNSA-N 223367 US9315520, 54::US9605007, Example 54::US9744173, Example 54 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435405 336285242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603645 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC3CC3)cn2)cs1 InChI=1S/C19H22N6O3S2/c1-10-4-11-7-30-18(20)25-19(11,9-27-10)17-24-14(8-29-17)23-16(26)13-5-22-15(6-21-13)28-12-2-3-12/h5-6,8,10-12H,2-4,7,9H2,1H3,(H2,20,25)(H,23,26)/t10-,11-,19-/m0/s1 PXDXKVAQKOIJDD-ADWYPQAOSA-N 223368 US9315520, 55::US9605007, Example 55::US9744173, Example 55 Beta-secretase 1 Homo sapiens 519 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435356 336285243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603646 C[C@@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H23FN6O3S2/c1-10(20)6-28-15-5-22-13(4-23-15)16(27)24-14-8-30-17(25-14)19-9-29-11(2)3-12(19)7-31-18(21)26-19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H2,21,26)(H,24,27)/t10-,11+,12+,19+/m1/s1 WFZJVMNFHPJIGJ-FAQIYOQMSA-N 223369 US9315520, 56::US9605007, Example 56::US9744173, Example 56 Beta-secretase 1 Homo sapiens 360 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435448 336285244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603647 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc2ccccc2s1 InChI=1S/C21H23N7OS/c22-19-25-20(26-28(19)21-24-17-5-1-2-6-18(17)30-21)23-15-7-9-16(10-8-15)29-14-13-27-11-3-4-12-27/h1-2,5-10H,3-4,11-14H2,(H3,22,23,25,26) OGEAJALENRINAL-UHFFFAOYSA-N 313001 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-{[2S]-2-fluoropropyl]oxy}pyrazine-2-carboxamide::US10166216, Compound 11::US9605007, Example 57 Beta-secretase 1 Homo sapiens 372 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987308 383539950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603648 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(C)(F)F)cn2)cs1 InChI=1S/C19H22F2N6O3S2/c1-10-3-11-6-32-17(22)27-19(11,9-29-10)16-26-13(7-31-16)25-15(28)12-4-24-14(5-23-12)30-8-18(2,20)21/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H2,22,27)(H,25,28)/t10-,11-,19-/m0/s1 HWYDXAVLRPSTHY-ADWYPQAOSA-N 223371 US9315520, 58::US9605007, Example 58::US9744173, Example 58 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435394 336285246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603649 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1cnccn1 InChI=1S/C18H22N8O/c19-17-23-18(24-26(17)16-13-20-7-8-21-16)22-14-3-5-15(6-4-14)27-12-11-25-9-1-2-10-25/h3-8,13H,1-2,9-12H2,(H3,19,22,23,24) JXAMZWVZTCLPOY-UHFFFAOYSA-N 313003 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-2,4-dimethyl-1,3-oxazole-5-carboxamide::US10166216, Compound 13::US9605007, Example 59 Beta-secretase 1 Homo sapiens 740 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986243 383539951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603650 Cn1c(nc2ccccc12)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N InChI=1S/C22H26N8O/c1-28-19-7-3-2-6-18(19)25-22(28)30-20(23)26-21(27-30)24-16-8-10-17(11-9-16)31-15-14-29-12-4-5-13-29/h2-3,6-11H,4-5,12-15H2,1H3,(H3,23,24,26,27) QXSMHXQOSUHNHS-UHFFFAOYSA-N 313004 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide::US10166216, Compound 14::US9605007, Example 60 Beta-secretase 1 Homo sapiens 3840 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987309 383539952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603651 Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1ccnc(c1)N1CCOCC1 InChI=1S/C24H32N8O2/c25-23-28-24(29-32(23)20-8-9-26-22(18-20)31-13-15-33-16-14-31)27-19-4-6-21(7-5-19)34-17-12-30-10-2-1-3-11-30/h4-9,18H,1-3,10-17H2,(H3,25,27,28,29) SJGKJYAXUWKGJF-UHFFFAOYSA-N 313005 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-(propan-2-yl)-1H-imidazole-4-carboxamide::US10166216, Compound 15::US9605007, Example 61 Beta-secretase 1 Homo sapiens 1830 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986590 383539953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603652 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1cccc(Cl)n1 InChI=1S/C19H22ClN7O/c20-16-4-3-5-17(23-16)27-18(21)24-19(25-27)22-14-6-8-15(9-7-14)28-13-12-26-10-1-2-11-26/h3-9H,1-2,10-13H2,(H3,21,22,24,25) ZEOWCZLWSODHIO-UHFFFAOYSA-N 313006 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide::US10166216, Compound 16::US9605007, Example 62 Beta-secretase 1 Homo sapiens 9690 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986591 383539954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603653 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccc(Cl)cn1 InChI=1S/C19H22ClN7O/c20-14-3-8-17(22-13-14)27-18(21)24-19(25-27)23-15-4-6-16(7-5-15)28-12-11-26-9-1-2-10-26/h3-8,13H,1-2,9-12H2,(H3,21,23,24,25) LSOROVQPMQQUEP-UHFFFAOYSA-N 313007 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-1H-pyrazole-4-carboxamide::US10166216, Compound 17::US9605007, Example 63 Beta-secretase 1 Homo sapiens 3940 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68968971 383539955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603654 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncccc1Cl InChI=1S/C19H22ClN7O/c20-16-4-3-9-22-17(16)27-18(21)24-19(25-27)23-14-5-7-15(8-6-14)28-13-12-26-10-1-2-11-26/h3-9H,1-2,10-13H2,(H3,21,23,24,25) DGIVVOAXXUNVGU-UHFFFAOYSA-N 313008 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-methyl-1,2-oxazole-3-carboxamide::US10166216, Compound 18::US9605007, Example 64 Beta-secretase 1 Homo sapiens 2620 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986592 383539956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603655 Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1cccc(Cl)n1 InChI=1S/C20H24ClN7O/c21-17-5-4-6-18(24-17)28-19(22)25-20(26-28)23-15-7-9-16(10-8-15)29-14-13-27-11-2-1-3-12-27/h4-10H,1-3,11-14H2,(H3,22,23,25,26) OMODDYGJZUPURV-UHFFFAOYSA-N 313009 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide::US10166216, Compound 19::US9605007, Example 65 Beta-secretase 1 Homo sapiens 51000 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986593 383539957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603656 Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1cccc(n1)N1CCOCC1 InChI=1S/C24H32N8O2/c25-23-28-24(29-32(23)22-6-4-5-21(27-22)31-14-16-33-17-15-31)26-19-7-9-20(10-8-19)34-18-13-30-11-2-1-3-12-30/h4-10H,1-3,11-18H2,(H3,25,26,28,29) BDEBAXBRZPYZGV-UHFFFAOYSA-N 313010 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}pyrimidine-4-carboxamide::US10166216, Compound 20::US9605007, Example 66 Beta-secretase 1 Homo sapiens 575 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986594 383539958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603657 CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2cnc3ccccc3n2)cc1 InChI=1S/C23H26N8O/c1-16-5-4-12-30(16)13-14-32-18-10-8-17(9-11-18)26-23-28-22(24)31(29-23)21-15-25-19-6-2-3-7-20(19)27-21/h2-3,6-11,15-16H,4-5,12-14H2,1H3,(H3,24,26,28,29) DFQAFNPCLFLFID-UHFFFAOYSA-N 313011 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-3-methyl-1,2-oxazole-5-carboxamide::US10166216, Compound 21::US9605007, Example 67 Beta-secretase 1 Homo sapiens 5040 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987644 383539959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603658 CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2nc3ccccc3s2)cc1 InChI=1S/C22H25N7OS/c1-15-5-4-12-28(15)13-14-30-17-10-8-16(9-11-17)24-21-26-20(23)29(27-21)22-25-18-6-2-3-7-19(18)31-22/h2-3,6-11,15H,4-5,12-14H2,1H3,(H3,23,24,26,27) LMZMZXYNFPQVOA-UHFFFAOYSA-N 313012 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3,thiazol-4-yl}-5-methylpyrazine-2-carboxamide::US10166216, Compound 22::US9605007, Example 68 Beta-secretase 1 Homo sapiens 2110 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987645 383539960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603659 CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2nc3ccccc3n2C)cc1 InChI=1S/C23H28N8O/c1-16-6-5-13-30(16)14-15-32-18-11-9-17(10-12-18)25-22-27-21(24)31(28-22)23-26-19-7-3-4-8-20(19)29(23)2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H3,24,25,27,28) JRXFAPXEENNVHR-UHFFFAOYSA-N 313013 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide::US10166216, Compound 23::US9605007, Example 69 Beta-secretase 1 Homo sapiens 6200 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987646 383539961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603660 CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2nc3ccccc3[nH]2)cc1 313014 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carboxamide::US10166216, Compound 24::US9605007, Example 70 Beta-secretase 1 Homo sapiens 10400 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987647 383539962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603661 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nncc2ccccc12 InChI=1S/C22H24N8O/c23-21-26-22(28-30(21)20-19-6-2-1-5-16(19)15-24-27-20)25-17-7-9-18(10-8-17)31-14-13-29-11-3-4-12-29/h1-2,5-10,15H,3-4,11-14H2,(H3,23,25,26,28) OAAJSSNVNCQVDN-UHFFFAOYSA-N 313015 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-3-ethyl-1,2-oxazole-5-carboxamide::US10166216, Compound 25::US9605007, Example 71 Beta-secretase 1 Homo sapiens 9260 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987648 383539963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603662 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1cc(ccn1)C(F)(F)F InChI=1S/C20H22F3N7O/c21-20(22,23)14-7-8-25-17(13-14)30-18(24)27-19(28-30)26-15-3-5-16(6-4-15)31-12-11-29-9-1-2-10-29/h3-8,13H,1-2,9-12H2,(H3,24,26,27,28) MCABUAVFTASTKR-UHFFFAOYSA-N 313016 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-ethyl-1H-pyrazole-4-carboxamide::US10166216, Compound 26::US9605007, Example 72 Beta-secretase 1 Homo sapiens 7480 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986595 383539964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603663 CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2ccccc2F)cc1 InChI=1S/C21H25FN6O/c1-15-5-4-12-27(15)13-14-29-17-10-8-16(9-11-17)24-21-25-20(23)28(26-21)19-7-3-2-6-18(19)22/h2-3,6-11,15H,4-5,12-14H2,1H3,(H3,23,24,25,26) SZTMRSGTGNALSH-UHFFFAOYSA-N 313017 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1,5-dimethyl-1H-pyrazole-3-carboxamide::US10166216, Compound 27::US9605007, Example 73 Beta-secretase 1 Homo sapiens 12400 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68968994 383539965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603664 Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1ccccc1F InChI=1S/C21H25FN6O/c22-18-6-2-3-7-19(18)28-20(23)25-21(26-28)24-16-8-10-17(11-9-16)29-15-14-27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-15H2,(H3,23,24,25,26) KYTBFBZLYFXJDI-UHFFFAOYSA-N 313018 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-1H-1,2,4-triazole-5-carboxamide::US10166216, Compound 28::US9605007, Example 74 Beta-secretase 1 Homo sapiens 4560 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69269795 383539966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603665 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncccc1C(F)(F)F InChI=1S/C20H22F3N7O/c21-20(22,23)16-4-3-9-25-17(16)30-18(24)27-19(28-30)26-14-5-7-15(8-6-14)31-13-12-29-10-1-2-11-29/h3-9H,1-2,10-13H2,(H3,24,26,27,28) AJULAXSZJDZRPL-UHFFFAOYSA-N 313019 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-1H-imidazole-4-carboxamide::US10166216, Compound 29::US9605007, Example 75 Beta-secretase 1 Homo sapiens 18200 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986944 383539967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603666 COc1cccc(n1)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N InChI=1S/C20H25N7O2/c1-28-18-6-4-5-17(23-18)27-19(21)24-20(25-27)22-15-7-9-16(10-8-15)29-14-13-26-11-2-3-12-26/h4-10H,2-3,11-14H2,1H3,(H3,21,22,24,25) OZYRAKXEBKZWKZ-UHFFFAOYSA-N 313020 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-1H-1,2,3-triazole-4-carboxamide::US10166216, Compound 30::US9605007, Example 76 Beta-secretase 1 Homo sapiens 28100 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313020&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986945 383539968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603667 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc2ccccc2[nH]1 InChI=1S/C21H24N8O/c22-19-26-20(27-29(19)21-24-17-5-1-2-6-18(17)25-21)23-15-7-9-16(10-8-15)30-14-13-28-11-3-4-12-28/h1-2,5-10H,3-4,11-14H2,(H,24,25)(H3,22,23,26,27) MYGHZYOBMFBMPV-UHFFFAOYSA-N 313021 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazole-4-yl}-1,2-oxazole-3-carboxamide::US10166216, Compound 31::US9605007, Example 77 Beta-secretase 1 Homo sapiens 777 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24987649 383539969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603668 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccc(Br)cn1 InChI=1S/C19H22BrN7O/c20-14-3-8-17(22-13-14)27-18(21)24-19(25-27)23-15-4-6-16(7-5-15)28-12-11-26-9-1-2-10-26/h3-8,13H,1-2,9-12H2,(H3,21,23,24,25) KSAUSDAVZWPCHC-UHFFFAOYSA-N 313022 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-3,3-difluorocyclobutanecarboxamide::US10166216, Compound 32::US9605007, Example 78 Beta-secretase 1 Homo sapiens 1490 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986946 383539970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603669 COC(=O)C1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2cnc3ccccc3n2)cc1 InChI=1S/C24H26N8O3/c1-34-22(33)20-7-4-12-31(20)13-14-35-17-10-8-16(9-11-17)27-24-29-23(25)32(30-24)21-15-26-18-5-2-3-6-19(18)28-21/h2-3,5-6,8-11,15,20H,4,7,12-14H2,1H3,(H3,25,27,29,30) VCHWVCVEXZWMNQ-UHFFFAOYSA-N 313023 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}pyrimidine-2-carboxamide::US10166216, Compound 33::US9605007, Example 79 Beta-secretase 1 Homo sapiens 1080 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986244 383539971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603670 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccccc1F InChI=1S/C20H23FN6O/c21-17-5-1-2-6-18(17)27-19(22)24-20(25-27)23-15-7-9-16(10-8-15)28-14-13-26-11-3-4-12-26/h1-2,5-10H,3-4,11-14H2,(H3,22,23,24,25) FBVVOHLXVIVTCD-UHFFFAOYSA-N 313024 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-cyclopropyl-1H-pyrazole-4-carboxamide::US10166216, Compound 34::US9605007, Example 80 Beta-secretase 1 Homo sapiens 8070 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68969666 383539972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603671 CNc1cccc(n1)-n1nc(Nc2ccc(OCCN3CCCCC3)cc2)nc1N InChI=1S/C21H28N8O/c1-23-18-6-5-7-19(25-18)29-20(22)26-21(27-29)24-16-8-10-17(11-9-16)30-15-14-28-12-3-2-4-13-28/h5-11H,2-4,12-15H2,1H3,(H,23,25)(H3,22,24,26,27) QHHHMXKSXUKDQN-UHFFFAOYSA-N 313025 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-chloro-1-methyl-1H-pyrazole-3-carboxamide::US10166216, Compound 35::US9605007, Example 81 Beta-secretase 1 Homo sapiens 3380 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986947 383539973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603672 CN(C)c1cccc(n1)-n1nc(Nc2ccc(OCCN3CCCCC3)cc2)nc1N InChI=1S/C22H30N8O/c1-28(2)19-7-6-8-20(25-19)30-21(23)26-22(27-30)24-17-9-11-18(12-10-17)31-16-15-29-13-4-3-5-14-29/h6-12H,3-5,13-16H2,1-2H3,(H3,23,24,26,27) KHRWKOMQEYLTRK-UHFFFAOYSA-N 313026 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-cyclopropylpyrazine-2-carboxmaide::US10166216, Compound 36::US9605007, Example 82 Beta-secretase 1 Homo sapiens 1080 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986948 383539974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603673 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(Cl)nc2ccccc12 InChI=1S/C22H23ClN8O/c23-20-26-18-6-2-1-5-17(18)19(27-20)31-21(24)28-22(29-31)25-15-7-9-16(10-8-15)32-14-13-30-11-3-4-12-30/h1-2,5-10H,3-4,11-14H2,(H3,24,25,28,29) MUCGSGOMAYJYJQ-UHFFFAOYSA-N 313027 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-(difluoromethyl)-1H-pyrazole-4-carboxamide::US10166216, Compound 37::US9605007, Example 83 Beta-secretase 1 Homo sapiens 671 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986245 383539975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603674 Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(nc2ccccc12)N1CCOCC1 InChI=1S/C26H31N9O2/c27-24-31-25(28-19-7-9-20(10-8-19)37-18-13-33-11-3-4-12-33)32-35(24)23-21-5-1-2-6-22(21)29-26(30-23)34-14-16-36-17-15-34/h1-2,5-10H,3-4,11-18H2,(H3,27,28,31,32) MYOKJQJFSQECFS-UHFFFAOYSA-N 313028 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-cyclopropyl-1H-pyrazole-3-carboxamide::US10166216, Compound 38::US9605007, Example 84 Beta-secretase 1 Homo sapiens 1660 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986246 383539976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603675 Nc1nc(Nc2ccc(OCCN3CCCC3)c(Cl)c2)nn1-c1nc2ccccc2s1 InChI=1S/C21H22ClN7OS/c22-15-13-14(7-8-17(15)30-12-11-28-9-3-4-10-28)24-20-26-19(23)29(27-20)21-25-16-5-1-2-6-18(16)31-21/h1-2,5-8,13H,3-4,9-12H2,(H3,23,24,26,27) BAKBSLSXAPUHSW-UHFFFAOYSA-N 313029 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-cyclopropyl-1H-pyrazole-5-carboxamide::US10166216, Compound 39::US9605007, Example 85 Beta-secretase 1 Homo sapiens 4240 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986247 383539977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603676 Cn1c(nc2ccccc12)-n1nc(Nc2ccc(OCCN3CCCC3)c(Cl)c2)nc1N InChI=1S/C22H25ClN8O/c1-29-18-7-3-2-6-17(18)26-22(29)31-20(24)27-21(28-31)25-15-8-9-19(16(23)14-15)32-13-12-30-10-4-5-11-30/h2-3,6-9,14H,4-5,10-13H2,1H3,(H3,24,25,27,28) WQZCEFZPBKQBFD-UHFFFAOYSA-N 313030 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-2-(propan-2-yl)-1,3-oxazole-4-carboxamide::US10166216, Compound 40::US9605007, Example 86 Beta-secretase 1 Homo sapiens 16200 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 24986248 383539978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603677 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC(F)F)n2)cs1 InChI=1S/C17H20F2N6O2S2/c1-9-4-10-6-29-16(20)23-17(10,8-27-9)15-22-13(7-28-15)21-14(26)11-2-3-25(24-11)5-12(18)19/h2-3,7,9-10,12H,4-6,8H2,1H3,(H2,20,23)(H,21,26)/t9-,10-,17-/m0/s1 VLPCCGAGIGLCDG-YMNVWFMLSA-N 223372 US9315520, 87::US9605007, Example 87::US9744173, Example 87 Beta-secretase 1 Homo sapiens 398 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435578 336285247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603678 COCCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H24N6O3S2/c1-11-7-12-8-29-17(19)22-18(12,10-27-11)16-21-14(9-28-16)20-15(25)13-3-4-24(23-13)5-6-26-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1 VXUZLGFPTHMPDO-PZROIBLQSA-N 223373 US9315520, 88::US9605007, Example 88::US9744173, Example 88 Beta-secretase 1 Homo sapiens 418 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435400 336285248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603679 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC#C)n2)cs1 InChI=1S/C18H20N6O2S2/c1-3-5-24-6-4-13(23-24)15(25)20-14-9-27-16(21-14)18-10-26-11(2)7-12(18)8-28-17(19)22-18/h1,4,6,9,11-12H,5,7-8,10H2,2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1 NSZZOQRTNRDMDA-PZROIBLQSA-N 223374 US9315520, 89::US9605007, Example 89::US9744173, Example 92 Beta-secretase 1 Homo sapiens 17 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435537 336285249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603680 COCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O4S2/c1-9-3-10-6-28-16(18)22-17(10,8-26-9)15-21-12(7-27-15)20-14(23)11-4-25-13(19-11)5-24-2/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,18,22)(H,20,23)/t9-,10-,17-/m0/s1 ZYIJHQUUGUPTRV-YMNVWFMLSA-N 223375 US9315520, 90::US9605007, Example 90::US9744173, Example 90 Beta-secretase 1 Homo sapiens 175 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435426 336285250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603681 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CC(F)(F)F)n2)cs1 InChI=1S/C17H18F3N5O3S2/c1-8-2-9-5-30-15(21)25-16(9,7-28-8)14-24-11(6-29-14)23-13(26)10-4-27-12(22-10)3-17(18,19)20/h4,6,8-9H,2-3,5,7H2,1H3,(H2,21,25)(H,23,26)/t8-,9-,16-/m0/s1 MXMJZWBLZHRJJU-BEPCFFQHSA-N 223376 US9315520, 91::US9605007, Example 91::US9744173, Example 91 Beta-secretase 1 Homo sapiens 215 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435499 336285251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603682 CC#CCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H22N6O2S2/c1-3-4-6-25-7-5-14(24-25)16(26)21-15-10-28-17(22-15)19-11-27-12(2)8-13(19)9-29-18(20)23-19/h5,7,10,12-13H,6,8-9,11H2,1-2H3,(H2,20,23)(H,21,26)/t12-,13-,19-/m0/s1 KCURIJGLRGGXQR-JMERFSKESA-N 223377 US9315520, 92::US9605007, Example 92 Beta-secretase 1 Homo sapiens 82 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435623 336285252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603683 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CCC2)cs1 InChI=1S/C16H22N4O2S2/c1-9-5-11-6-24-15(17)20-16(11,8-22-9)14-19-12(7-23-14)18-13(21)10-3-2-4-10/h7,9-11H,2-6,8H2,1H3,(H2,17,20)(H,18,21)/t9-,11-,16-/m0/s1 MGOMWLLZKHEFEX-QEKSWQHZSA-N 223378 US9315520, 93::US9605007, Example 93::US9744173, Example 93 Beta-secretase 1 Homo sapiens 376 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435545 336285253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603684 CC#CCOc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C21H23N5O3S2/c1-3-4-7-28-15-5-6-16(23-9-15)18(27)24-17-11-30-19(25-17)21-12-29-13(2)8-14(21)10-31-20(22)26-21/h5-6,9,11,13-14H,7-8,10,12H2,1-2H3,(H2,22,26)(H,24,27)/t13-,14-,21-/m0/s1 OPGYDARCLCTRIU-RXSFTSLZSA-N 223379 US9315520, 94::US9605007, Example 94::US9744173, Example 94 Beta-secretase 1 Homo sapiens 18 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435625 336285254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603685 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(co2)C(F)F)cs1 InChI=1S/C16H17F2N5O3S2/c1-7-2-8-4-28-15(19)23-16(8,6-26-7)14-22-10(5-27-14)21-12(24)13-20-9(3-25-13)11(17)18/h3,5,7-8,11H,2,4,6H2,1H3,(H2,19,23)(H,21,24)/t7-,8-,16-/m0/s1 AUFMLGTWSVZIJK-UFIJUMAVSA-N 223380 US9315520, 95::US9605007, Example 95::US9744173, Example 95 Beta-secretase 1 Homo sapiens 75 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435583 336285255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603686 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 InChI=1S/C17H20F2N6O2S2/c1-8-4-25(15(18)19)24-12(8)13(26)21-11-6-28-14(22-11)17-7-27-9(2)3-10(17)5-29-16(20)23-17/h4,6,9-10,15H,3,5,7H2,1-2H3,(H2,20,23)(H,21,26)/t9-,10-,17-/m0/s1 NZUIPBJGYCNZHU-YMNVWFMLSA-N 223381 US9315520, 96::US9605007, Example 96::US9744173, Example 96 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91971333 336285256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603687 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cn2)cs1 InChI=1S/C17H18F2N6O3S2/c1-8-2-9-5-30-16(20)25-17(9,7-27-8)14-24-11(6-29-14)23-13(26)12-21-3-10(4-22-12)28-15(18)19/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 FIYXMKDQPHXQOF-GSRNSYJJSA-N 223382 US9315520, 97::US9605007, Example 97::US9744173, Example 97 Beta-secretase 1 Homo sapiens 177 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435610 336285257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603688 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)nc2C)cs1 InChI=1S/C18H20F2N6O3S2/c1-8-3-10-5-31-17(21)26-18(10,7-28-8)15-25-11(6-30-15)24-14(27)13-9(2)23-12(4-22-13)29-16(19)20/h4,6,8,10,16H,3,5,7H2,1-2H3,(H2,21,26)(H,24,27)/t8-,10-,18-/m0/s1 WAUMCGCMJMRYCC-HDESESHFSA-N 223383 US9315520, 98::US9605007, Example 98::US9744173, Example 98 Beta-secretase 1 Homo sapiens 33 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435374 336285258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603689 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 InChI=1S/C18H18ClF2N5O3S2/c1-8-2-9-5-31-17(22)26-18(9,7-28-8)15-25-12(6-30-15)24-14(27)13-11(19)3-10(4-23-13)29-16(20)21/h3-4,6,8-9,16H,2,5,7H2,1H3,(H2,22,26)(H,24,27)/t8-,9-,18-/m0/s1 CJOUKFNXLBLNRB-ZMFHDSSTSA-N 223384 US9315520, 99::US9605007, Example 99::US9744173, Example 99 Beta-secretase 1 Homo sapiens 25 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435454 336285259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603690 COCC(F)(F)c1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H22F2N6O3S2/c1-10-3-11-6-32-17(22)27-18(11,8-30-10)16-26-14(7-31-16)25-15(28)12-4-24-13(5-23-12)19(20,21)9-29-2/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H2,22,27)(H,25,28)/t10-,11-,18-/m0/s1 AVKVXUHPNSLPBM-FHGNATFXSA-N 223385 US9315520, 100::US9605007, Example 100::US9744173, Example 100 Beta-secretase 1 Homo sapiens 220 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435523 336285260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603691 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC#N)cn2)cs1 InChI=1S/C19H20N6O3S2/c1-11-6-12-8-30-18(21)25-19(12,10-28-11)17-24-15(9-29-17)23-16(26)14-3-2-13(7-22-14)27-5-4-20/h2-3,7,9,11-12H,5-6,8,10H2,1H3,(H2,21,25)(H,23,26)/t11-,12-,19-/m0/s1 FXILSRIGYPZINB-ZKTNFTSUSA-N 313045 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(cyanomethoxy)pyridine-2-carboxamide::US9605007, Example 101::US9744173, Example 101 Beta-secretase 1 Homo sapiens 447 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435468 383539980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603692 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(CF)oc2C)cs1 InChI=1S/C17H20FN5O3S2/c1-8-3-10-5-28-16(19)23-17(10,7-25-8)15-21-11(6-27-15)20-14(24)13-9(2)26-12(4-18)22-13/h6,8,10H,3-5,7H2,1-2H3,(H2,19,23)(H,20,24)/t8-,10-,17-/m0/s1 HXXFWDUJJHJVQL-UYDXONCASA-N 223387 US9315520, 102::US9605007, Example 102::US9744173, Example 102 Beta-secretase 1 Homo sapiens 12 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435502 336285262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603693 COCC(F)(F)c1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H23F2N5O3S2/c1-11-5-13-7-32-18(23)27-19(13,9-30-11)17-26-15(8-31-17)25-16(28)14-4-3-12(6-24-14)20(21,22)10-29-2/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,13-,19-/m0/s1 SWZKQMKJEIGPTJ-BLWXERESSA-N 223388 US9315520, 103::US9605007, Example 103::US9744173, Example 103 Beta-secretase 1 Homo sapiens 282 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435427 336285263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603694 CCC(F)(F)Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H23F2N5O3S2/c1-3-20(21,22)30-13-4-5-14(24-7-13)16(28)25-15-9-31-17(26-15)19-10-29-11(2)6-12(19)8-32-18(23)27-19/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12-,19-/m0/s1 AMSWUGMEUOIFFW-ZKTNFTSUSA-N 223389 US9315520, 104::US9605007, Example 104::US9744173, Example 104 Beta-secretase 1 Homo sapiens 308 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435378 336285264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603695 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C23CC(C2)C3)cs1 InChI=1S/C17H22N4O2S2/c1-9-2-11-6-25-15(18)21-17(11,8-23-9)14-20-12(7-24-14)19-13(22)16-3-10(4-16)5-16/h7,9-11H,2-6,8H2,1H3,(H2,18,21)(H,19,22)/t9-,10?,11-,16?,17-/m0/s1 APBYGJMZUBCXKD-GRKZCLODSA-N 223390 US9315520, 105::US9605007, Example 105::US9744173, Example 105 Beta-secretase 1 Homo sapiens 85 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435439 336285265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603696 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CC2)C#N)cs1 InChI=1S/C16H19N5O2S2/c1-9-4-10-5-25-14(18)21-16(10,8-23-9)13-20-11(6-24-13)19-12(22)15(7-17)2-3-15/h6,9-10H,2-5,8H2,1H3,(H2,18,21)(H,19,22)/t9-,10-,16-/m0/s1 FHNHDVVEABSWBD-PUTJDCORSA-N 223391 US9315520, 106::US9605007, Example 106::US9744173, Example 106 Beta-secretase 1 Homo sapiens 348 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435474 336285266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603697 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CC2)cs1 InChI=1S/C15H20N4O2S2/c1-8-4-10-5-23-14(16)19-15(10,7-21-8)13-18-11(6-22-13)17-12(20)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H2,16,19)(H,17,20)/t8-,10-,15-/m0/s1 OVLVGYMJKMQIIL-KPCOEVGBSA-N 223392 US9315520, 107::US9605007, Example 107::US9744173, Example 107 Beta-secretase 1 Homo sapiens 475 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435602 336285267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603698 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CCC2)C#N)cs1 InChI=1S/C17H21N5O2S2/c1-10-5-11-6-26-15(19)22-17(11,9-24-10)14-21-12(7-25-14)20-13(23)16(8-18)3-2-4-16/h7,10-11H,2-6,9H2,1H3,(H2,19,22)(H,20,23)/t10-,11-,17-/m0/s1 XZKSIVHILMPFLG-DINDLPBHSA-N 313052 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-cyanocyclobutanecarboxamide::US9605007, Example 108::US9744173, Example 108 Beta-secretase 1 Homo sapiens 94 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435627 383539981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 603699 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(C)CCC2)cs1 InChI=1S/C17H24N4O2S2/c1-10-6-11-7-25-15(18)21-17(11,9-23-10)14-20-12(8-24-14)19-13(22)16(2)4-3-5-16/h8,10-11H,3-7,9H2,1-2H3,(H2,18,21)(H,19,22)/t10-,11-,17-/m0/s1 WJELMSNRYNVXCO-DINDLPBHSA-N 223394 US9315520, 109::US9605007, Example 109::US9744173, Example 109 Beta-secretase 1 Homo sapiens 461 US Patent 10.7270/Q2JQ133S aid1796410 US9605007 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435449 336285269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609382 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-3-13(22)15(24-6-8)16(27)25-9-1-2-12(20)10(4-9)18(7-21)11-5-14(11)28-17(23)26-18/h1-4,6,11,14H,5,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 CPSNTABRDWAUIZ-UCMVZMLTSA-N 171686 US9085576, 442::US9611261, Example 442 Beta-secretase 1 Homo sapiens 54.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412691 312528346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609384 Cc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17Cl2FN4O2/c1-9-4-10(20)7-24-16(9)17(27)25-11-2-3-14(21)12(5-11)19(8-22)13-6-15(13)28-18(23)26-19/h2-5,7,13,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t13-,15+,19+/m0/s1 PSQSRQVCKJEMIX-ZBQZNYHESA-N 171687 US9085576, 443::US9611261, Example 443 Beta-secretase 1 Homo sapiens 37.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413184 312528347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609386 Cc1cc(NC(=O)c2ccc(Cl)cc2CF)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18ClF4N3O2/c1-9-4-12(28-18(30)13-3-2-11(22)5-10(13)8-23)6-15(17(9)24)21(19(25)26)14-7-16(14)31-20(27)29-21/h2-6,14,16,19H,7-8H2,1H3,(H2,27,29)(H,28,30)/t14-,16+,21-/m0/s1 RUDCCYVGGYJJHI-PXARDIRTSA-N 171688 US9085576, 444::US9611261, Example 444 Beta-secretase 1 Homo sapiens 10.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412339 312528348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609388 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(F)cn2)ccc1Cl InChI=1S/C18H15ClF2N4O2/c19-13-3-2-10(24-16(26)14-4-1-9(21)7-23-14)5-11(13)18(8-20)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 CDTBFGFUVJVAER-WBHUJUFNSA-N 171689 US9085576, 445::US9611261, Example 445 Beta-secretase 1 Homo sapiens 290 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412701 312528349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609390 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C21H15F3N6O/c22-15-2-1-12(29-18-17-11(3-4-27-18)5-10(8-25)9-28-17)6-13(15)21(19(23)24)14-7-16(14)31-20(26)30-21/h1-6,9,14,16,19H,7H2,(H2,26,30)(H,27,29)/t14-,16+,21+/m0/s1 DHPJABCHSOMZMW-CMPZQBNXSA-N 171736 US9085576, 446::US9611261, Example 446 Beta-secretase 1 Homo sapiens 55.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441971 312528393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609392 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)nccc2n1 InChI=1S/C20H17F3N6O2/c1-30-15-8-26-16-13(28-15)4-5-25-17(16)27-9-2-3-12(21)10(6-9)20(18(22)23)11-7-14(11)31-19(24)29-20/h2-6,8,11,14,18H,7H2,1H3,(H2,24,29)(H,25,27)/t11-,14+,20+/m0/s1 HVNGREMHJZGVTN-GZNWPSJOSA-N 171737 US9085576, 447::US9611261, Example 447 Beta-secretase 1 Homo sapiens 139 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441965 312528394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609394 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)ncc(F)c2c1 InChI=1S/C21H17F4N5O2/c1-31-10-5-11-15(23)8-28-18(17(11)27-7-10)29-9-2-3-14(22)12(4-9)21(19(24)25)13-6-16(13)32-20(26)30-21/h2-5,7-8,13,16,19H,6H2,1H3,(H2,26,30)(H,28,29)/t13-,16+,21+/m0/s1 PRSWCBBDZDLULG-CQURBHOASA-N 171738 US9085576, 448::US9611261, Example 448 Beta-secretase 1 Homo sapiens 117 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441962 312528395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609396 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H14F6N6O/c21-12-2-1-9(4-10(12)19(17(22)23)11-5-14(11)33-18(27)32-19)31-16-15-13(29-7-30-16)3-8(6-28-15)20(24,25)26/h1-4,6-7,11,14,17H,5H2,(H2,27,32)(H,29,30,31)/t11-,14+,19+/m0/s1 RBDLNBHGMFNDGE-GEDNVKPRSA-N 171739 US9085576, 449::US9611261, Example 449 Beta-secretase 1 Homo sapiens 124 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441972 312528396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609398 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-2-1-10(26-17(28)16-14(22)3-9(6-23)7-25-16)4-11(13)19(8-21)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 FLHYHXAYFBQBCG-IOHHAYIISA-N 171775 US9085576, 450::US9611261, Example 450 Beta-secretase 1 Homo sapiens 50.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413021 312528429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609400 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1F InChI=1S/C19H13F6N3O2/c20-7-3-12(22)15(13(23)4-7)16(29)27-8-1-2-11(21)9(5-8)19(17(24)25)10-6-14(10)30-18(26)28-19/h1-5,10,14,17H,6H2,(H2,26,28)(H,27,29)/t10-,14+,19+/m0/s1 MNUABFIQHIGOTK-PJZBOPKMSA-N 171815 US9085576, 451::US9611261, Example 451 Beta-secretase 1 Homo sapiens 5385 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412491 312528467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608556 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)OC2C[C@H]12 InChI=1S/C25H22FN5O4/c1-25(17-11-20(17)35-24(31-25)30-22(32)14-6-4-3-5-7-14)16-10-15(8-9-18(16)26)29-23(33)19-12-28-21(34-2)13-27-19/h3-10,12-13,17,20H,11H2,1-2H3,(H,29,33)(H,30,31,32)/t17-,20?,25-/m0/s1 WOKAMWLUXZKIIA-VABFPOCDSA-N 314379 US9611261, Example 2b-A::US9611261, Example 2b-B::US9611261, Example 2b-rac Beta-secretase 1 Homo sapiens 604 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126755071 383541255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608558 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)OC2C[C@H]12 InChI=1S/C25H22FN5O4/c1-25(17-11-20(17)35-24(31-25)30-22(32)14-6-4-3-5-7-14)16-10-15(8-9-18(16)26)29-23(33)19-12-28-21(34-2)13-27-19/h3-10,12-13,17,20H,11H2,1-2H3,(H,29,33)(H,30,31,32)/t17-,20?,25-/m0/s1 WOKAMWLUXZKIIA-VABFPOCDSA-N 314379 US9611261, Example 2b-A::US9611261, Example 2b-B::US9611261, Example 2b-rac Beta-secretase 1 Homo sapiens 253 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126755071 383541255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608560 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)OC2C[C@H]12 InChI=1S/C25H22FN5O4/c1-25(17-11-20(17)35-24(31-25)30-22(32)14-6-4-3-5-7-14)16-10-15(8-9-18(16)26)29-23(33)19-12-28-21(34-2)13-27-19/h3-10,12-13,17,20H,11H2,1-2H3,(H,29,33)(H,30,31,32)/t17-,20?,25-/m0/s1 WOKAMWLUXZKIIA-VABFPOCDSA-N 314379 US9611261, Example 2b-A::US9611261, Example 2b-B::US9611261, Example 2b-rac Beta-secretase 1 Homo sapiens 41247 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126755071 383541255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608562 Cc1c(F)cccc1[C@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F3N2O2/c1-11-13(8-5-9-15(11)21)20(18(22)23)14-10-16(14)27-19(25-20)24-17(26)12-6-3-2-4-7-12/h2-9,14,16,18H,10H2,1H3,(H,24,25,26)/t14-,16+,20+/m0/s1 PTMPPXVPOTVVBH-YYFZDKIDSA-N 314412 US9611261, Example 28 Beta-secretase 1 Homo sapiens 118 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106824 383541285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608564 Cc1cc(OCC#CC(C)(C)O)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C25H27FN4O4/c1-14-10-16(33-9-5-8-24(2,3)32)13-28-21(14)22(31)29-15-6-7-19(26)17(11-15)25(4)18-12-20(18)34-23(27)30-25/h6-7,10-11,13,18,20,32H,9,12H2,1-4H3,(H2,27,30)(H,29,31)/t18-,20+,25+/m1/s1 UXSPFCVHCYSGDI-AOUJKTHWSA-N 314413 N-(3-([1(R,S),5(S,R),6(R,S)]-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-((4-hydroxy-4-methylpent-2-yn-1-yl)oxy)-3-methylpicolinamide::US9611261, Example 29 Beta-secretase 1 Homo sapiens 206 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401214 383541286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608566 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1 OJWJKXCEPPILPQ-SZEPBZDZSA-N 171396 US9085576, 123::US9085576, 30::US9611261, Example 123 Beta-secretase 1 Homo sapiens 43.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413687 312528077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608568 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m1/s1 DDSXLJNBGIUGBD-FWVNDXEPSA-N 171397 US9085576, 31::US9085576, 32::US9611261, Example 32 Beta-secretase 1 Homo sapiens 306 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401352 312528078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608570 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m1/s1 DDSXLJNBGIUGBD-FWVNDXEPSA-N 171397 US9085576, 31::US9085576, 32::US9611261, Example 32 Beta-secretase 1 Homo sapiens 1220 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401352 312528078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608572 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F3N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(23)13(22)5-10)20(9-21)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m0/s1 TWIIRUCDCKGBEK-RPLLZPRCSA-N 171399 US9085576, 33::US9611261, Example 33 Beta-secretase 1 Homo sapiens 5.40 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412198 312528079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608574 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F3N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(23)13(22)5-10)20(9-21)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m1/s1 TWIIRUCDCKGBEK-LQGCGHSZSA-N 171400 US9085576, 34::US9611261, Example 34 Beta-secretase 1 Homo sapiens 6215 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441909 312528080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608576 CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H18F3N5O3/c1-2-3-4-31-17-9-26-15(8-27-17)19(30)28-11-5-13(18(24)14(23)6-11)21(10-22)12-7-16(12)32-20(25)29-21/h5-6,8-9,12,16H,4,7,10H2,1H3,(H2,25,29)(H,28,30)/t12-,16+,21-/m0/s1 ZQFHOZFDCKLZCZ-LSWYUMSHSA-N 171401 US9085576, 35::US9611261, Example 35 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413674 312528081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608578 CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C21H18F3N5O3/c1-2-3-4-31-17-9-26-15(8-27-17)19(30)28-11-5-13(18(24)14(23)6-11)21(10-22)12-7-16(12)32-20(25)29-21/h5-6,8-9,12,16H,4,7,10H2,1H3,(H2,25,29)(H,28,30)/t12-,16+,21-/m1/s1 ZQFHOZFDCKLZCZ-PTPDTQQLSA-N 171402 US9085576, 36::US9611261, Example 36 Beta-secretase 1 Homo sapiens 296 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441912 312528082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608580 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H14F3N5O2/c20-8-19(11-5-15(11)29-18(24)27-19)12-3-10(4-13(21)16(12)22)26-17(28)14-2-1-9(6-23)7-25-14/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m0/s1 IUWOUFWAEYGEDU-CQOVVYFZSA-N 171403 US9085576, 37::US9611261, Example 37 Beta-secretase 1 Homo sapiens 69.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414092 312528083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608582 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H14F3N5O2/c20-8-19(11-5-15(11)29-18(24)27-19)12-3-10(4-13(21)16(12)22)26-17(28)14-2-1-9(6-23)7-25-14/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m1/s1 IUWOUFWAEYGEDU-VZMUKZCBSA-N 171404 US9085576, 38::US9611261, Example 38 Beta-secretase 1 Homo sapiens 16500 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441910 312528084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608584 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H14BrF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m0/s1 WGEFTILQQIDJRD-LWGAZXOISA-N 171405 US9085576, 39::US9611261, Example 39 Beta-secretase 1 Homo sapiens 46.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414821 312528085 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608586 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H14BrF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m1/s1 WGEFTILQQIDJRD-FWVNDXEPSA-N 171406 US9085576, 40::US9611261, Example 40 Beta-secretase 1 Homo sapiens 6495 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441911 312528086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608588 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17F3N4O3/c1-28-10-2-3-14(24-7-10)17(27)25-9-4-12(16(22)13(21)5-9)19(8-20)11-6-15(11)29-18(23)26-19/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 UZRGCIPMIVXAHN-CQOVVYFZSA-N 171407 US9085576, 41::US9611261, Example 41 Beta-secretase 1 Homo sapiens 134 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90416299 312528087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608590 COCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O3/c1-30-8-9-4-10(21)7-26-16(9)17(29)27-11-2-3-14(22)12(5-11)20(18(23)24)13-6-15(13)31-19(25)28-20/h2-5,7,13,15,18H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 MDLQHBVCILBPSV-XBHMSOGKSA-N 171408 US9085576, 42::US9611261, Example 42 Beta-secretase 1 Homo sapiens 27.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414451 312528088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608592 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-9(20)7-25-15(8)16(28)26-10-2-3-13(21)11(5-10)19(17(22)23)12-6-14(12)29-18(24)27-19/h2-5,7,12,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t12-,14+,19+/m0/s1 YIUIJXBYTVHAJS-BBEJJTJUSA-N 171409 US9085576, 43::US9611261, Example 43 Beta-secretase 1 Homo sapiens 22.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469559 312528089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608594 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C20H16F3N5O2/c1-9-4-10(7-24)8-26-16(9)17(29)27-11-2-3-14(21)12(5-11)20(18(22)23)13-6-15(13)30-19(25)28-20/h2-5,8,13,15,18H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 GJUTYYBPDFWHKP-XBHMSOGKSA-N 171410 US9085576, 44::US9611261, Example 44 Beta-secretase 1 Homo sapiens 14.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469560 312528090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608596 COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C20H16F3N5O3/c1-30-15-4-9(7-24)8-26-16(15)17(29)27-10-2-3-13(21)11(5-10)20(18(22)23)12-6-14(12)31-19(25)28-20/h2-5,8,12,14,18H,6H2,1H3,(H2,25,28)(H,27,29)/t12-,14+,20+/m0/s1 DXIREUBTMLPQQO-KBARZSOFSA-N 171411 US9085576, 45::US9611261, Example 45 Beta-secretase 1 Homo sapiens 55.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414782 312528091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608598 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H13ClF5N5O2/c18-9-4-28(15(22)23)27-13(9)14(29)25-6-1-8(12(21)10(20)2-6)17(5-19)7-3-11(7)30-16(24)26-17/h1-2,4,7,11,15H,3,5H2,(H2,24,26)(H,25,29)/t7-,11+,17-/m0/s1 TUCNQDWQUTUTKC-AUWAXLAASA-N 171412 US9085576, 46::US9611261, Example 46 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412206 312528092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608600 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H13ClF5N5O2/c18-9-4-28(15(22)23)27-13(9)14(29)25-6-1-8(12(21)10(20)2-6)17(5-19)7-3-11(7)30-16(24)26-17/h1-2,4,7,11,15H,3,5H2,(H2,24,26)(H,25,29)/t7-,11+,17-/m1/s1 TUCNQDWQUTUTKC-GUSVJKSTSA-N 171413 US9085576, 47::US9611261, Example 47 Beta-secretase 1 Homo sapiens 21150 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441913 312528093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608602 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14+,18-/m0/s1 DDSXLJNBGIUGBD-LWGAZXOISA-N 171414 US9085576, 142::US9085576, 48::US9611261, Example 48 Beta-secretase 1 Homo sapiens 43.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413581 312528094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608604 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16F3N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(23)14(22)4-11)20(8-21)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 GZZFXSHHFLNZPZ-VHPWJVAPSA-N 171415 US9085576, 49::US9611261, Example 49 Beta-secretase 1 Homo sapiens 30.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414093 312528095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608606 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N InChI=1S/C20H16F3N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(23)14(22)4-11)20(8-21)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m1/s1 GZZFXSHHFLNZPZ-UFAGZECESA-N 171416 US9085576, 50::US9611261, Example 50 Beta-secretase 1 Homo sapiens 26621 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441914 312528096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608608 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)(F)F InChI=1S/C20H16F6N4O2/c1-8-2-9(20(24,25)26)6-28-16(8)17(31)29-10-3-12(15(23)13(22)4-10)19(7-21)11-5-14(11)32-18(27)30-19/h2-4,6,11,14H,5,7H2,1H3,(H2,27,30)(H,29,31)/t11-,14+,19-/m0/s1 PZAOWJRRCHUWQH-SZEPBZDZSA-N 171417 US9085576, 51::US9611261, Example 51 Beta-secretase 1 Homo sapiens 62.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90417533 312528097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608610 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C(F)(F)F InChI=1S/C20H16F6N4O2/c1-8-2-9(20(24,25)26)6-28-16(8)17(31)29-10-3-12(15(23)13(22)4-10)19(7-21)11-5-14(11)32-18(27)30-19/h2-4,6,11,14H,5,7H2,1H3,(H2,27,30)(H,29,31)/t11-,14+,19-/m1/s1 PZAOWJRRCHUWQH-CILWKZBWSA-N 171418 US9085576, 52::US9611261, Example 52 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441915 312528098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608612 Cc1nc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C18H15ClF3N5O2/c1-7-14(24-6-13(19)25-7)15(28)26-8-2-3-11(20)9(4-8)18(16(21)22)10-5-12(10)29-17(23)27-18/h2-4,6,10,12,16H,5H2,1H3,(H2,23,27)(H,26,28)/t10-,12+,18+/m1/s1 GJTAOICRZPTZGX-MYFIVHGGSA-N 171419 US9085576, 53::US9611261, Example 53 Beta-secretase 1 Homo sapiens 61.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441917 312528099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608614 Cc1ncc(Cl)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C18H15ClF3N5O2/c1-7-14(26-13(19)6-24-7)15(28)25-8-2-3-11(20)9(4-8)18(16(21)22)10-5-12(10)29-17(23)27-18/h2-4,6,10,12,16H,5H2,1H3,(H2,23,27)(H,25,28)/t10-,12+,18+/m1/s1 LIXCQAUUIZRMQI-MYFIVHGGSA-N 171420 US9085576, 54::US9611261, Example 54 Beta-secretase 1 Homo sapiens 2510 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441916 312528100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608616 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 RQUKXRXQXUNQGZ-VZSAFFHGSA-N 171421 US9085576, 55::US9085576, 60::US9611261, Example 60 Beta-secretase 1 Homo sapiens 36.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413256 312528101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608618 CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)O[C@@H]3C[C@H]23)c(C)c1 InChI=1S/C23H23FN4O3/c1-4-5-8-30-15-9-13(2)20(26-12-15)21(29)27-14-6-7-18(24)16(10-14)23(3)17-11-19(17)31-22(25)28-23/h6-7,9-10,12,17,19H,8,11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,19+,23+/m0/s1 SMPDRZSUSJZGCD-GEQKSPFYSA-N 171422 US9085576, 56::US9611261, Example 56 Beta-secretase 1 Homo sapiens 12.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413286 312528102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608620 CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)N=C(N)O[C@H]3C[C@@H]23)c(C)c1 InChI=1S/C23H23FN4O3/c1-4-5-8-30-15-9-13(2)20(26-12-15)21(29)27-14-6-7-18(24)16(10-14)23(3)17-11-19(17)31-22(25)28-23/h6-7,9-10,12,17,19H,8,11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,19+,23+/m1/s1 SMPDRZSUSJZGCD-FHJLPGHOSA-N 171423 US9085576, 57::US9611261, Example 57 Beta-secretase 1 Homo sapiens 2250 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412645 312528103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608622 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(N=C(N)O[C@H]3C[C@@H]23)C(F)F)c(C)n1 InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m1/s1 KNLYATVYPPDCEE-AGMRTUQYSA-N 171424 US9085576, 58::US9085576, 64::US9611261, Example 64 Beta-secretase 1 Homo sapiens 158 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413697 312528104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608624 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F3N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 UTTKUJQSCLBQAY-YFROIQMUSA-N 171425 US9085576, 59::US9085576, 65::US9611261, Example 65 Beta-secretase 1 Homo sapiens 34.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413014 312528105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608626 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 RQUKXRXQXUNQGZ-VZSAFFHGSA-N 171421 US9085576, 55::US9085576, 60::US9611261, Example 60 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413256 312528101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608628 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H17ClF3N5O2/c1-9-17(28-16-5-2-10(22)8-30(9)16)18(31)27-11-3-4-14(23)12(6-11)21(19(24)25)13-7-15(13)32-20(26)29-21/h2-6,8,13,15,19H,7H2,1H3,(H2,26,29)(H,27,31)/t13-,15+,21+/m1/s1 NVZCPHIUUAZHQC-CGSMKXTHSA-N 171427 US9085576, 61::US9611261, Example 61 Beta-secretase 1 Homo sapiens 167 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441918 312528106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608630 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF3N5O2/c20-12-3-8(6-24)7-26-15(12)16(29)27-9-1-2-13(21)10(4-9)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m1/s1 MVYKQTMWKRGHMH-WQBCIRTESA-N 171428 US9085576, 62::US9085576, 67::US9611261, Example 67 Beta-secretase 1 Homo sapiens 26.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413563 312528107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608632 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1 InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m0/s1 KNLYATVYPPDCEE-CENXUZMRSA-N 171429 US9085576, 63::US9611261, Example 63 Beta-secretase 1 Homo sapiens 63.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412982 312528108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608634 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(N=C(N)O[C@H]3C[C@@H]23)C(F)F)c(C)n1 InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m1/s1 KNLYATVYPPDCEE-AGMRTUQYSA-N 171424 US9085576, 58::US9085576, 64::US9611261, Example 64 Beta-secretase 1 Homo sapiens 6185 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413697 312528104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608636 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F3N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 UTTKUJQSCLBQAY-YFROIQMUSA-N 171425 US9085576, 59::US9085576, 65::US9611261, Example 65 Beta-secretase 1 Homo sapiens 21150 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413014 312528105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608638 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF3N5O2/c20-12-3-8(6-24)7-26-15(12)16(29)27-9-1-2-13(21)10(4-9)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m0/s1 MVYKQTMWKRGHMH-GEDNVKPRSA-N 171432 US9085576, 66::US9611261, Example 66 Beta-secretase 1 Homo sapiens 15.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469561 312528109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608640 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H13ClF3N5O2/c20-12-3-8(6-24)7-26-15(12)16(29)27-9-1-2-13(21)10(4-9)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m1/s1 MVYKQTMWKRGHMH-WQBCIRTESA-N 171428 US9085576, 62::US9085576, 67::US9611261, Example 67 Beta-secretase 1 Homo sapiens 26450 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413563 312528107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608642 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2/c1-18(12-7-15(12)26-17(21)24-18)11-6-10(3-4-13(11)20)23-16(25)14-5-2-9(19)8-22-14/h2-6,8,12,15H,7H2,1H3,(H2,21,24)(H,23,25)/t12-,15+,18+/m0/s1 ZRNDQKRMNYICGA-WBHUJUFNSA-N 171434 US9085576, 68::US9611261, Example 68 Beta-secretase 1 Homo sapiens 65.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412818 312528110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608644 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H17ClF3N5O2/c1-9-17(28-16-5-2-10(22)8-30(9)16)18(31)27-11-3-4-14(23)12(6-11)21(19(24)25)13-7-15(13)32-20(26)29-21/h2-6,8,13,15,19H,7H2,1H3,(H2,26,29)(H,27,31)/t13-,15+,21+/m0/s1 NVZCPHIUUAZHQC-QDUSTFBWSA-N 171435 US9085576, 69::US9611261, Example 69 Beta-secretase 1 Homo sapiens 126 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413333 312528111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608646 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(Cl)c1 InChI=1S/C19H16ClF3N4O3/c1-29-9-5-12(20)15(25-7-9)16(28)26-8-2-3-13(21)10(4-8)19(17(22)23)11-6-14(11)30-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19+/m0/s1 SGBYWDPTHVLPAE-GEDNVKPRSA-N 171436 US9085576, 70::US9611261, Example 70 Beta-secretase 1 Homo sapiens 56.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469562 312528112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608648 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H13Cl2F3N4O2/c19-7-3-11(20)14(25-6-7)15(28)26-8-1-2-12(21)9(4-8)18(16(22)23)10-5-13(10)29-17(24)27-18/h1-4,6,10,13,16H,5H2,(H2,24,27)(H,26,28)/t10-,13+,18+/m0/s1 DHNSWMZPTCJXNN-CRPGXEFLSA-N 171437 US9085576, 71::US9611261, Example 71 Beta-secretase 1 Homo sapiens 27.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85469563 312528113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608650 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O3/c1-28-14-7-23-12(6-24-14)15(27)25-8-2-3-11(19)9(4-8)18(16(20)21)10-5-13(10)29-17(22)26-18/h2-4,6-7,10,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t10-,13+,18+/m0/s1 MGMSPPLJGNLXOS-CRPGXEFLSA-N 171438 US9085576, 72::US9611261, Example 72 Beta-secretase 1 Homo sapiens 76.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413938 312528114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608652 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H13ClF3N5O2/c18-7-1-2-11(23-5-7)14(27)25-8-3-10(13(19)24-6-8)17(15(20)21)9-4-12(9)28-16(22)26-17/h1-3,5-6,9,12,15H,4H2,(H2,22,26)(H,25,27)/t9-,12+,17-/m1/s1 XDYFJQHDPPAKQP-CIBPLQMKSA-N 171439 US9085576, 73::US9611261, Example 73 Beta-secretase 1 Homo sapiens 114 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441920 312528115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608654 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H14BrF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 KLDGVZBFMGQONH-UCMVZMLTSA-N 171440 US9085576, 74::US9611261, Example 74 Beta-secretase 1 Homo sapiens 24.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468762 312528116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608656 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H13F3N6O2/c19-14-11(18(16(20)21)10-4-13(10)29-17(23)27-18)3-9(7-25-14)26-15(28)12-2-1-8(5-22)6-24-12/h1-3,6-7,10,13,16H,4H2,(H2,23,27)(H,26,28)/t10-,13+,18-/m1/s1 BJQWCYLYPFJZBO-SBOFIZKASA-N 171441 US9085576, 75::US9611261, Example 75 Beta-secretase 1 Homo sapiens 165 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441919 312528117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608658 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 RQUKXRXQXUNQGZ-UCMVZMLTSA-N 171442 US9085576, 76::US9611261, Example 76 Beta-secretase 1 Homo sapiens 26.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468763 312528118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608660 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F3N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 UTTKUJQSCLBQAY-IOHHAYIISA-N 171443 US9085576, 77::US9611261, Example 77 Beta-secretase 1 Homo sapiens 26.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413009 312528119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608662 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C19H17F3N4O3/c1-28-9-2-4-13(24-7-9)17(27)25-12-5-3-11(21)15(16(12)22)19(8-20)10-6-14(10)29-18(23)26-19/h2-5,7,10,14H,6,8H2,1H3,(H2,23,26)(H,25,27)/t10-,14+,19-/m1/s1 UIOZLTMFHBMGQX-MPSXMAJESA-N 171444 US9085576, 78::US9611261, Example 78 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413136 312528120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608664 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17F3N4O3/c1-28-9-2-4-13(24-7-9)17(27)25-12-5-3-11(21)15(16(12)22)19(8-20)10-6-14(10)29-18(23)26-19/h2-5,7,10,14H,6,8H2,1H3,(H2,23,26)(H,25,27)/t10-,14+,19-/m0/s1 UIOZLTMFHBMGQX-UYJYQFFCSA-N 171445 US9085576, 79::US9611261, Example 79 Beta-secretase 1 Homo sapiens 3039 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412795 312528121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608666 COC[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C19H20FN5O4/c1-27-9-19(12-6-15(12)29-18(21)25-19)11-5-10(3-4-13(11)20)24-17(26)14-7-23-16(28-2)8-22-14/h3-5,7-8,12,15H,6,9H2,1-2H3,(H2,21,25)(H,24,26)/t12-,15+,19+/m0/s1 SETFYWBLMAPYOC-IOHHAYIISA-N 171446 US9085576, 80::US9611261, Example 80 Beta-secretase 1 Homo sapiens 7950 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412945 312528122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608668 COC[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F InChI=1S/C19H20FN5O4/c1-27-9-19(12-6-15(12)29-18(21)25-19)11-5-10(3-4-13(11)20)24-17(26)14-7-23-16(28-2)8-22-14/h3-5,7-8,12,15H,6,9H2,1-2H3,(H2,21,25)(H,24,26)/t12-,15+,19+/m1/s1 SETFYWBLMAPYOC-YFROIQMUSA-N 171447 US9085576, 81::US9611261, Example 81 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413499 312528123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608670 COC[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O3/c1-27-9-19(13-7-16(13)28-18(22)25-19)12-6-11(3-4-14(12)21)24-17(26)15-5-2-10(20)8-23-15/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m0/s1 GXROSWTYEZZKTJ-URKNILKWSA-N 171448 US9085576, 82::US9611261, Example 82 Beta-secretase 1 Homo sapiens 2740 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413130 312528124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608672 COC[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H18ClFN4O3/c1-27-9-19(13-7-16(13)28-18(22)25-19)12-6-11(3-4-14(12)21)24-17(26)15-5-2-10(20)8-23-15/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m1/s1 GXROSWTYEZZKTJ-AZOIQLNYSA-N 171449 US9085576, 83::US9611261, Example 83 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412850 312528125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608674 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(OC)n1 InChI=1S/C19H18F3N5O4/c1-29-13-7-24-14(16(26-13)30-2)15(28)25-8-3-4-11(20)9(5-8)19(17(21)22)10-6-12(10)31-18(23)27-19/h3-5,7,10,12,17H,6H2,1-2H3,(H2,23,27)(H,25,28)/t10-,12+,19+/m0/s1 VPFCIXDIAXSRQV-KFHAODIQSA-N 171450 US9085576, 84::US9611261, Example 84 Beta-secretase 1 Homo sapiens 494 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413990 312528126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608676 COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(21)11(19)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m0/s1 XSIVJSIDWZNXQQ-ZWRLQWNWSA-N 171451 US9085576, 85::US9611261, Example 85 Beta-secretase 1 Homo sapiens 34.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413665 312528127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608678 COc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16ClF2N5O3/c1-30-15-2-9(6-24)7-26-17(15)18(29)27-10-3-12(16(23)13(21)4-10)20(8-22)11-5-14(11)31-19(25)28-20/h2-4,7,11,14H,5,8H2,1H3,(H2,25,28)(H,27,29)/t11-,14+,20-/m0/s1 RGLKMLHILRQODC-CJAGKMTESA-N 171452 US9085576, 86::US9611261, Example 86 Beta-secretase 1 Homo sapiens 75.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413171 312528128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608680 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(23)13(21)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 CQFCVBSGJPJBFS-CJAGKMTESA-N 171453 US9085576, 87::US9611261, Example 87 Beta-secretase 1 Homo sapiens 32.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413699 312528129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608682 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(Cl)c1F InChI=1S/C19H14ClF2N5O2/c20-13-4-10(26-17(28)14-2-1-9(6-23)7-25-14)3-12(16(13)22)19(8-21)11-5-15(11)29-18(24)27-19/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m0/s1 KECMMXQVOXZFSQ-CQOVVYFZSA-N 171454 US9085576, 88::US9611261, Example 88 Beta-secretase 1 Homo sapiens 29.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413537 312528130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608684 COc1cnc(C(=O)Nc2cc(Cl)c(F)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(C)n1 InChI=1S/C19H18ClF2N5O3/c1-8-16(24-6-14(25-8)29-2)17(28)26-9-3-11(15(22)12(20)4-9)19(7-21)10-5-13(10)30-18(23)27-19/h3-4,6,10,13H,5,7H2,1-2H3,(H2,23,27)(H,26,28)/t10-,13+,19-/m0/s1 FXGREOIXCKRWGW-VARDARPISA-N 171455 US9085576, 89::US9611261, Example 89 Beta-secretase 1 Homo sapiens 73.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413207 312528131 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608686 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(Cl)c1F InChI=1S/C19H15ClF5N5O3/c20-11-2-8(29-16(31)12-4-28-14(5-27-12)32-7-19(23,24)25)1-10(15(11)22)18(6-21)9-3-13(9)33-17(26)30-18/h1-2,4-5,9,13H,3,6-7H2,(H2,26,30)(H,29,31)/t9-,13+,18-/m0/s1 ULUPDFZWAIOSAT-ZWRLQWNWSA-N 171456 US9085576, 90::US9611261, Example 90 Beta-secretase 1 Homo sapiens 13.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412200 312528132 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608688 Cc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(23)14(21)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 XXRLDAKKJIBEPP-VHPWJVAPSA-N 171457 US9085576, 91::US9611261, Example 91 Beta-secretase 1 Homo sapiens 50.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413082 312528133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608690 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 INIRAFGCTHHCSF-VZSAFFHGSA-N 171458 US9085576, 92::US9611261, Example 92 Beta-secretase 1 Homo sapiens 17050 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414625 312528134 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608692 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 PZRUBQJUGSTHNP-IOHHAYIISA-N 171459 US9085576, 93::US9085576, 98::US9611261, Example 98 Beta-secretase 1 Homo sapiens 19.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468764 312528135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608694 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 PZRUBQJUGSTHNP-YFROIQMUSA-N 171460 US9085576, 94::US9611261, Example 94 Beta-secretase 1 Homo sapiens 31911 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412842 312528136 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608696 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H16F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 FYACCYJZRVOAOP-PGICJIBASA-N 171461 US9085576, 95::US9611261, Example 95 Beta-secretase 1 Homo sapiens 3.50 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77846098 312528137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608698 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F3N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1 MONRTDLDYBUIBO-CQURBHOASA-N 171462 US9085576, 96::US9611261, Example 96 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413118 312528138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608700 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 INIRAFGCTHHCSF-UCMVZMLTSA-N 171463 US9085576, 97::US9085576, 99::US9611261, Example 99 Beta-secretase 1 Homo sapiens 37.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468765 312528139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608702 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H14ClF2N5O2/c20-13-3-2-10(26-16(28)14-4-1-9(7-23)8-25-14)5-11(13)19(17(21)22)12-6-15(12)29-18(24)27-19/h1-5,8,12,15,17H,6H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 PZRUBQJUGSTHNP-IOHHAYIISA-N 171459 US9085576, 93::US9085576, 98::US9611261, Example 98 Beta-secretase 1 Homo sapiens 44.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468764 312528135 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608704 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H14Cl2F2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 INIRAFGCTHHCSF-UCMVZMLTSA-N 171463 US9085576, 97::US9085576, 99::US9611261, Example 99 Beta-secretase 1 Homo sapiens 22.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468765 312528139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608706 COc1ccc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17ClF2N4O3/c1-28-10-3-5-14(24-8-10)16(27)25-9-2-4-13(20)11(6-9)19(17(21)22)12-7-15(12)29-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 NVJYNLHCMQRHMY-IOHHAYIISA-N 171466 US9085576, 100::US9611261, Example 100 Beta-secretase 1 Homo sapiens 61.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412908 312528140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608708 COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C20H19ClF2N4O3/c1-9-5-11(29-2)8-25-16(9)17(28)26-10-3-4-14(21)12(6-10)20(18(22)23)13-7-15(13)30-19(24)27-20/h3-6,8,13,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 QLVMNEQLYPHVMA-XBHMSOGKSA-N 171467 US9085576, 101::US9611261, Example 101 Beta-secretase 1 Homo sapiens 97.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412765 312528141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608710 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cocn3)cn2)ccc1Cl InChI=1S/C21H17ClF2N6O4/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)34-20(25)30-21)29-18(31)15-5-27-17(6-26-15)33-8-11-7-32-9-28-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 NREWQVSXVYBIHS-CQURBHOASA-N 171468 US9085576, 102::US9611261, Example 102 Beta-secretase 1 Homo sapiens 35.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468766 312528142 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608712 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O3/c1-28-9-6-23-14(24-7-9)15(27)25-8-2-3-12(19)10(4-8)18(16(20)21)11-5-13(11)29-17(22)26-18/h2-4,6-7,11,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t11-,13+,18+/m0/s1 FQXRTMWBWLXZSZ-WHWRDJHUSA-N 171469 US9085576, 103::US9611261, Example 103 Beta-secretase 1 Homo sapiens 122 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412694 312528143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608714 COc1cnc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16ClF2N5O3/c1-28-9-6-23-14(24-7-9)15(27)25-8-2-3-12(19)10(4-8)18(16(20)21)11-5-13(11)29-17(22)26-18/h2-4,6-7,11,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t11-,13+,18+/m0/s1 VIVKCZYKKIXBRZ-WHWRDJHUSA-N 171470 US9085576, 104::US9611261, Example 104 Beta-secretase 1 Homo sapiens 87.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412634 312528144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608716 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-3-11(22-6-8)15(26)24-13-4-2-10(20)14(23-13)17(7-19)9-5-12(9)27-16(21)25-17/h1-4,6,9,12H,5,7H2,(H2,21,25)(H,23,24,26)/t9-,12+,17-/m1/s1 MELWCFRTFXQYNP-CIBPLQMKSA-N 171471 US9085576, 105::US9611261, Example 105 Beta-secretase 1 Homo sapiens 39340 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414089 312528145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608718 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-3-11(22-6-8)15(26)24-13-4-2-10(20)14(23-13)17(7-19)9-5-12(9)27-16(21)25-17/h1-4,6,9,12H,5,7H2,(H2,21,25)(H,23,24,26)/t9-,12+,17-/m0/s1 MELWCFRTFXQYNP-WUDNQAJYSA-N 171472 US9085576, 106::US9611261, Example 106 Beta-secretase 1 Homo sapiens 252 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414882 312528146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608720 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H13ClF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m0/s1 VSAHBSNDLPIUOA-ZWRLQWNWSA-N 171473 US9085576, 107::US9611261, Example 107 Beta-secretase 1 Homo sapiens 19.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413600 312528147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608722 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H13ClF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m1/s1 VSAHBSNDLPIUOA-AKCUIXRJSA-N 171474 US9085576, 108::US9611261, Example 108 Beta-secretase 1 Homo sapiens 10365 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412759 312528148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608724 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H13F4N5O2/c20-12-4-9(27-16(29)13-2-1-8(6-24)7-26-13)3-11(15(12)21)19(17(22)23)10-5-14(10)30-18(25)28-19/h1-4,7,10,14,17H,5H2,(H2,25,28)(H,27,29)/t10-,14+,19-/m1/s1 BREAXXVTPIAXDB-MPSXMAJESA-N 171475 US9085576, 109::US9611261, Example 109 Beta-secretase 1 Homo sapiens 12050 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441921 312528149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608726 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/m1/s1 BVHNKBRBVUXFFK-HBVUFABXSA-N 171476 US9085576, 110::US9611261, Example 110 Beta-secretase 1 Homo sapiens 26194 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441922 312528150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608728 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H15F4N5O3/c1-2-3-31-15-8-26-13(7-27-15)17(30)28-9-4-11(16(22)12(21)5-9)20(18(23)24)10-6-14(10)32-19(25)29-20/h1,4-5,7-8,10,14,18H,3,6H2,(H2,25,29)(H,28,30)/t10-,14+,20-/m0/s1 QWKKSXTZIMZFAW-NOPHNCEQSA-N 171477 US9085576, 111::US9085576, 115::US9611261, Example 115 Beta-secretase 1 Homo sapiens 6505 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401165 312528151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608730 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H15F4N5O3/c1-29-13-6-24-11(5-25-13)15(28)26-7-2-9(14(20)10(19)3-7)18(16(21)22)8-4-12(8)30-17(23)27-18/h2-3,5-6,8,12,16H,4H2,1H3,(H2,23,27)(H,26,28)/t8-,12+,18-/m0/s1 JYCICRWMWYJLLL-SAROORQHSA-N 171478 US9085576, 112::US9611261, Example 112 Beta-secretase 1 Homo sapiens >40500 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401354 312528152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608732 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H13F4N5O2/c20-12-4-9(27-16(29)13-2-1-8(6-24)7-26-13)3-11(15(12)21)19(17(22)23)10-5-14(10)30-18(25)28-19/h1-4,7,10,14,17H,5H2,(H2,25,28)(H,27,29)/t10-,14+,19-/m0/s1 BREAXXVTPIAXDB-UYJYQFFCSA-N 171479 US9085576, 113::US9611261, Example 113 Beta-secretase 1 Homo sapiens 27.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468826 312528153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608734 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/m0/s1 BVHNKBRBVUXFFK-IGCJTQIZSA-N 171480 US9085576, 114::US9611261, Example 114 Beta-secretase 1 Homo sapiens 9.80 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413403 312528154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608736 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H15F4N5O3/c1-2-3-31-15-8-26-13(7-27-15)17(30)28-9-4-11(16(22)12(21)5-9)20(18(23)24)10-6-14(10)32-19(25)29-20/h1,4-5,7-8,10,14,18H,3,6H2,(H2,25,29)(H,28,30)/t10-,14+,20-/m0/s1 QWKKSXTZIMZFAW-NOPHNCEQSA-N 171477 US9085576, 111::US9085576, 115::US9611261, Example 115 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401165 312528151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608738 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H13BrF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m0/s1 PWZBFAHIRUDGKN-ZWRLQWNWSA-N 171482 US9085576, 116::US9611261, Example 116 Beta-secretase 1 Homo sapiens 18.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415722 312528155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608740 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF2N4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(21)11(5-10)18(8-20)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 QRSZQDAJIBKJOD-WBHUJUFNSA-N 171483 US9085576, 117::US9611261, Example 117 Beta-secretase 1 Homo sapiens 21.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468827 312528156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608742 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF2N4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(21)11(5-10)18(8-20)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 QRSZQDAJIBKJOD-MRAWALMUSA-N 171484 US9085576, 118::US9611261, Example 118 Beta-secretase 1 Homo sapiens 1560 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412844 312528157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608744 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F InChI=1S/C17H13ClF3N5O2/c18-7-5-23-13(24-6-7)14(27)25-8-1-2-11(19)9(3-8)17(15(20)21)10-4-12(10)28-16(22)26-17/h1-3,5-6,10,12,15H,4H2,(H2,22,26)(H,25,27)/t10-,12+,17+/m0/s1 UBAVZYVTYLAJHH-GSDQYQHOSA-N 171485 US9085576, 119::US9611261, Example 119 Beta-secretase 1 Homo sapiens 55.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412664 312528158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608746 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F6N5O3/c1-8-15(28-6-14(29-8)33-7-19(24,25)26)16(32)30-9-2-3-12(21)10(4-9)20(17(22)23)11-5-13(11)34-18(27)31-20/h2-4,6,11,13,17H,5,7H2,1H3,(H2,27,31)(H,30,32)/t11-,13+,20+/m0/s1 XYBCEBFUBZYFCK-SZZPBAKOSA-N 171486 US9085576, 120::US9611261, Example 120 Beta-secretase 1 Homo sapiens 50.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412843 312528159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608748 COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16F4N4O3/c1-29-9-2-3-13(25-7-9)16(28)26-8-4-11(15(21)12(20)5-8)19(17(22)23)10-6-14(10)30-18(24)27-19/h2-5,7,10,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t10-,14+,19-/m0/s1 HVCZGNSWVDCRHX-UYJYQFFCSA-N 171487 US9085576, 121::US9611261, Example 121 Beta-secretase 1 Homo sapiens 83.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441923 312528160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608750 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O2/c1-9-4-10(17(23)24)7-26-16(9)18(29)27-11-2-3-14(21)12(5-11)20(8-22)13-6-15(13)30-19(25)28-20/h2-5,7,13,15,17H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 BWKREBLHLQEZAU-XBHMSOGKSA-N 171488 US9085576, 122::US9611261, Example 122 Beta-secretase 1 Homo sapiens 99.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415313 312528161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608752 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1 OJWJKXCEPPILPQ-SZEPBZDZSA-N 171396 US9085576, 123::US9085576, 30::US9611261, Example 123 Beta-secretase 1 Homo sapiens 30.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413687 312528077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608754 Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m1/s1 OJWJKXCEPPILPQ-CILWKZBWSA-N 171490 US9085576, 124::US9611261, Example 124 Beta-secretase 1 Homo sapiens 3530 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412250 312528162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608756 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)(F)F InChI=1S/C20H17ClF4N4O2/c1-9-4-10(20(23,24)25)7-27-16(9)17(30)28-11-2-3-14(21)12(5-11)19(8-22)13-6-15(13)31-18(26)29-19/h2-5,7,13,15H,6,8H2,1H3,(H2,26,29)(H,28,30)/t13-,15+,19+/m0/s1 WPDAFODUDSMVBA-ZBQZNYHESA-N 171491 US9085576, 125::US9611261, Example 125 Beta-secretase 1 Homo sapiens 80.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412383 312528163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608758 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H18ClF3N4O3/c1-9-4-11(30-18(23)24)7-26-16(9)17(29)27-10-2-3-14(21)12(5-10)20(8-22)13-6-15(13)31-19(25)28-20/h2-5,7,13,15,18H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 DYASWFLGSYONEJ-XBHMSOGKSA-N 171492 US9085576, 126::US9611261, Example 126 Beta-secretase 1 Homo sapiens 83.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412825 312528164 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608760 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1Cl InChI=1S/C19H14Cl2FN5O2/c20-13-2-1-10(26-17(28)16-14(21)3-9(6-23)7-25-16)4-11(13)19(8-22)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 XAYBMKLFEOTIGM-IOHHAYIISA-N 171493 US9085576, 127::US9611261, Example 127 Beta-secretase 1 Homo sapiens 39.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468828 312528165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608762 COCc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H19Cl2FN4O3/c1-29-8-10-4-11(21)7-25-17(10)18(28)26-12-2-3-15(22)13(5-12)20(9-23)14-6-16(14)30-19(24)27-20/h2-5,7,14,16H,6,8-9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 LZWATJWWYVAWCP-YYFZDKIDSA-N 171494 US9085576, 128::US9611261, Example 128 Beta-secretase 1 Homo sapiens 50.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413211 312528166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608764 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C18H13ClF4N4O2/c19-7-3-12(21)14(25-6-7)15(28)26-8-1-2-11(20)9(4-8)18(16(22)23)10-5-13(10)29-17(24)27-18/h1-4,6,10,13,16H,5H2,(H2,24,27)(H,26,28)/t10-,13+,18+/m0/s1 AHHFKZDNWUAGLE-CRPGXEFLSA-N 171495 US9085576, 129::US9611261, Example 129 Beta-secretase 1 Homo sapiens 38.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468829 312528167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608766 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O3/c1-28-10-3-5-14(24-8-10)16(27)25-9-2-4-13(20)11(6-9)19(17(21)22)12-7-15(12)29-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 MRTVBAOMYWLZQJ-IOHHAYIISA-N 171496 US9085576, 130::US9611261, Example 130 Beta-secretase 1 Homo sapiens 84.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412791 312528168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608768 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C20H19F3N4O3/c1-9-5-11(29-2)8-25-16(9)17(28)26-10-3-4-14(21)12(6-10)20(18(22)23)13-7-15(13)30-19(24)27-20/h3-6,8,13,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 CWHLNKKSMBPWPJ-XBHMSOGKSA-N 171497 US9085576, 131::US9611261, Example 131 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413583 312528169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608770 Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F3N5O2/c1-9-4-12(28-18(30)17-10(2)3-11(7-25)8-27-17)5-14(16(9)22)21(19(23)24)13-6-15(13)31-20(26)29-21/h3-5,8,13,15,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,15+,21-/m0/s1 IHAUPMSNDMWWEF-KUUHDYPXSA-N 171498 US9085576, 132::US9611261, Example 132 Beta-secretase 1 Homo sapiens 21.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468830 312528170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608772 Cc1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H15ClF3N5O2/c1-8-2-10(28-17(30)16-13(21)3-9(6-25)7-27-16)4-12(15(8)22)20(18(23)24)11-5-14(11)31-19(26)29-20/h2-4,7,11,14,18H,5H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 XYFKLLZZEBOPKP-CJAGKMTESA-N 171499 US9085576, 133::US9611261, Example 133 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171499&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468831 312528171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608774 COc1cc(Cl)cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O3/c1-8-3-10(27-17(29)16-14(30-2)4-9(21)7-26-16)5-12(15(8)22)20(18(23)24)11-6-13(11)31-19(25)28-20/h3-5,7,11,13,18H,6H2,1-2H3,(H2,25,28)(H,27,29)/t11-,13+,20-/m0/s1 PGSQMMRUTGLWGT-SCLGINMFSA-N 171500 US9085576, 134::US9611261, Example 134 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412949 312528172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608776 Cc1cc(NC(=O)c2ncc(Cl)cc2Cl)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H15Cl2F3N4O2/c1-7-2-9(27-16(29)15-12(21)3-8(20)6-26-15)4-11(14(7)22)19(17(23)24)10-5-13(10)30-18(25)28-19/h2-4,6,10,13,17H,5H2,1H3,(H2,25,28)(H,27,29)/t10-,13+,19-/m0/s1 SLUPOLSOVKJKSO-VARDARPISA-N 171501 US9085576, 135::US9611261, Example 135 Beta-secretase 1 Homo sapiens 25.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171501&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413435 312528173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608778 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl InChI=1S/C19H14ClF2N5O2/c20-16-12(19(8-21)11-5-15(11)29-18(24)27-19)3-10(4-13(16)22)26-17(28)14-2-1-9(6-23)7-25-14/h1-4,7,11,15H,5,8H2,(H2,24,27)(H,26,28)/t11-,15+,19-/m1/s1 VXUGCTBQDBUYCT-VZMUKZCBSA-N 171502 US9085576, 136::US9611261, Example 136 Beta-secretase 1 Homo sapiens 120 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441924 312528174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608780 Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(21)14(23)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m1/s1 UUGSFTBWCHIUCH-UFAGZECESA-N 171503 US9085576, 137::US9085576, 139::US9611261, Example 139 Beta-secretase 1 Homo sapiens 44.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413617 312528175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608782 Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(21)14(23)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 UUGSFTBWCHIUCH-VHPWJVAPSA-N 171504 US9085576, 138::US9611261, Example 138 Beta-secretase 1 Homo sapiens 36.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171504&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411972 312528176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608784 Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N InChI=1S/C20H16ClF2N5O2/c1-9-2-10(6-24)7-26-17(9)18(29)27-11-3-13(16(21)14(23)4-11)20(8-22)12-5-15(12)30-19(25)28-20/h2-4,7,12,15H,5,8H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m1/s1 UUGSFTBWCHIUCH-UFAGZECESA-N 171503 US9085576, 137::US9085576, 139::US9611261, Example 139 Beta-secretase 1 Homo sapiens 14250 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413617 312528175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608786 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl InChI=1S/C20H16ClF2N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(21)13(23)5-10)20(9-22)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m1/s1 IHCBQIHTSNGMPW-LQGCGHSZSA-N 171684 US9085576, 318::US9611261, Example 318 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414468 312528344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608788 CSc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)OC2C[C@H]12 InChI=1S/C19H17ClF2N4O2S/c1-29-16-12(19(8-21)11-6-15(11)28-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15?,19-/m0/s1 AQOYJMGEOGYHLT-WCFQSHCHSA-N 314621 N-(3- (((1S,R),(5S,R),(6R,S))- 3-amino-5- (fluoromethyl)-2-oxa-4- azabicyclo[4.1.0]hept-3- en-5-yl)-5-fluoro-4- (methylthio)phenyl)-5- chloropicolinamide::US9611261, Example 141 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106826 383541458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608790 NC1=N[C@@](CF)([C@H]2CC2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H14ClF3N4O2/c19-8-1-2-13(24-6-8)16(27)25-9-3-11(15(22)12(21)4-9)18(7-20)10-5-14(10)28-17(23)26-18/h1-4,6,10,14H,5,7H2,(H2,23,26)(H,25,27)/t10-,14?,18-/m0/s1 DDSXLJNBGIUGBD-QPCDGJKBSA-N 314622 N-(3- (((1R,S),(5S,R),(6R,S))- 3-amino-5- (fluoromethyl)-2-oxa-4- azabicyclo[4.1.0]hept-3- en-5-yl)-4,5- difluorophenyl)-5- chloropicolinamide::US9611261, Example 142 Beta-secretase 1 Homo sapiens 97.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106827 383541459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608792 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H16F3N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(21)11(20)3-8)18(7-19)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m0/s1 HXZDBWWTIYCNMJ-ZWRLQWNWSA-N 171509 US9085576, 143::US9611261, Example 143 Beta-secretase 1 Homo sapiens 125 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90416108 312528179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608794 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H16F3N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(21)11(20)3-8)18(7-19)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m1/s1 HXZDBWWTIYCNMJ-AKCUIXRJSA-N 171510 US9085576, 144::US9611261, Example 144 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413785 312528180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608796 COc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O3/c1-28-16-12(19(8-21)11-6-15(11)29-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 NOYKSAYHCYSSCZ-CQOVVYFZSA-N 171511 US9085576, 145::US9611261, Example 145 Beta-secretase 1 Homo sapiens 153 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412901 312528181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608798 COc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C19H17ClF2N4O3/c1-28-16-12(19(8-21)11-6-15(11)29-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m1/s1 NOYKSAYHCYSSCZ-VZMUKZCBSA-N 171512 US9085576, 146::US9611261, Example 146 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414897 312528182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608800 CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H20F3N5O3/c1-9(2)30-16-8-25-14(7-26-16)17(29)27-10-3-4-13(21)11(5-10)20(18(22)23)12-6-15(12)31-19(24)28-20/h3-5,7-9,12,15,18H,6H2,1-2H3,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 MCEGGIMKRBWGNC-PGICJIBASA-N 171513 US9085576, 147::US9611261, Example 147 Beta-secretase 1 Homo sapiens 732 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171513&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413319 312528183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608802 C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13+,16-,21-/m1/s1 JHAMOFBHPBZXSW-ZDDLIGRPSA-N 171514 US9085576, 148::US9611261, Example 148 Beta-secretase 1 Homo sapiens 195 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414443 312528184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608804 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2csc(n2)C(F)F)ccc1F InChI=1S/C17H13F5N4O2S/c18-9-2-1-6(24-13(27)10-5-29-14(25-10)12(19)20)3-7(9)17(15(21)22)8-4-11(8)28-16(23)26-17/h1-3,5,8,11-12,15H,4H2,(H2,23,26)(H,24,27)/t8-,11+,17+/m0/s1 QDHSVFNSCJPDEW-UISHXFLQSA-N 171515 US9085576, 149::US9611261, Example 149 Beta-secretase 1 Homo sapiens 194 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413161 312528185 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608806 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C17H13F5N4O3/c18-9-2-1-6(24-13(27)10-5-28-14(25-10)12(19)20)3-7(9)17(15(21)22)8-4-11(8)29-16(23)26-17/h1-3,5,8,11-12,15H,4H2,(H2,23,26)(H,24,27)/t8-,11+,17+/m0/s1 HWYPKJUOACSAKT-UISHXFLQSA-N 171516 US9085576, 150::US9611261, Example 150 Beta-secretase 1 Homo sapiens 32.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441926 312528186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608808 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(n2)C#CC2CC2)ccc1F InChI=1S/C21H17F3N4O3/c22-14-5-4-11(26-18(29)15-9-30-17(27-15)6-3-10-1-2-10)7-12(14)21(19(23)24)13-8-16(13)31-20(25)28-21/h4-5,7,9-10,13,16,19H,1-2,8H2,(H2,25,28)(H,26,29)/t13-,16+,21+/m0/s1 KGUJRISOHXKAPX-CQURBHOASA-N 171517 US9085576, 151::US9611261, Example 151 Beta-secretase 1 Homo sapiens 24805 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413622 312528187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608810 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(19)11(21)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m1/s1 MURDSGANCUOHQI-AKCUIXRJSA-N 171518 US9085576, 152::US9085576, 155::US9611261, Example 155 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90391043 312528188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608812 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(21)13(23)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m1/s1 LPZILOJMOGQQQE-STYXZAMGSA-N 171519 US9085576, 153::US9085576, 157::US9611261, Example 157 Beta-secretase 1 Homo sapiens 143 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413586 312528189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608814 Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-28-12(6-11(27-28)14(20)21)15(29)25-7-2-3-10(19)8(4-7)18(16(22)23)9-5-13(9)30-17(24)26-18/h2-4,6,9,13-14,16H,5H2,1H3,(H2,24,26)(H,25,29)/t9-,13+,18+/m0/s1 NVQXJLSXTPSNHQ-FWWORTMDSA-N 171520 US9085576, 154::US9611261, Example 154 Beta-secretase 1 Homo sapiens 240 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412938 312528190 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608816 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(19)11(21)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m1/s1 MURDSGANCUOHQI-AKCUIXRJSA-N 171518 US9085576, 152::US9085576, 155::US9611261, Example 155 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90391043 312528188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608818 COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H16ClF2N5O3/c1-28-14-6-23-12(5-24-14)16(27)25-8-2-10(15(19)11(21)3-8)18(7-20)9-4-13(9)29-17(22)26-18/h2-3,5-6,9,13H,4,7H2,1H3,(H2,22,26)(H,25,27)/t9-,13+,18-/m0/s1 MURDSGANCUOHQI-ZWRLQWNWSA-N 171522 US9085576, 156::US9611261, Example 156 Beta-secretase 1 Homo sapiens 55.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413129 312528191 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608820 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(21)13(23)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m1/s1 LPZILOJMOGQQQE-STYXZAMGSA-N 171519 US9085576, 153::US9085576, 157::US9611261, Example 157 Beta-secretase 1 Homo sapiens 28314 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413586 312528189 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608822 Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17ClF4N4O3/c1-8-2-10(31-18(24)25)6-27-16(8)17(30)28-9-3-12(15(21)13(23)4-9)20(7-22)11-5-14(11)32-19(26)29-20/h2-4,6,11,14,18H,5,7H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 LPZILOJMOGQQQE-CJAGKMTESA-N 171524 US9085576, 158::US9611261, Example 158 Beta-secretase 1 Homo sapiens 40.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412674 312528192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608824 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m1/s1 UZKQOQQRJKLGGG-KPGGICDASA-N 171525 US9085576, 159::US9085576, 160::US9085576, 316::US9611261, Example 316 Beta-secretase 1 Homo sapiens 226 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412894 312528193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608826 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H15F6N5O3/c20-11-2-1-8(3-9(11)19(16(21)22)10-4-13(10)33-17(26)30-19)29-15(31)12-5-28-14(6-27-12)32-7-18(23,24)25/h1-3,5-6,10,13,16H,4,7H2,(H2,26,30)(H,29,31)/t10-,13+,19+/m0/s1 BDXQNHNHQVHBAH-KEVGGSHVSA-N 314640 N-(3-((1R,5S,6R)-3- amino-5- (difluoromethyl)-2-oxa- 4-azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)-5-(2,2,2- trifluoroethoxy)pyrazine- 2-carboxamide::US9611261, Example 160 Beta-secretase 1 Homo sapiens 29.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413748 383541473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608828 CC(C)n1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H19ClF3N5O2/c1-8(2)28-7-12(20)15(27-28)16(29)25-9-3-4-13(21)10(5-9)19(17(22)23)11-6-14(11)30-18(24)26-19/h3-5,7-8,11,14,17H,6H2,1-2H3,(H2,24,26)(H,25,29)/t11-,14+,19+/m0/s1 QCBSNZWYUBQTMD-GEDNVKPRSA-N 171527 US9085576, 161::US9611261, Example 161 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414722 312528194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608830 C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13-,16+,21+/m0/s1 JHAMOFBHPBZXSW-YUURZZLOSA-N 171528 US9085576, 162::US9611261, Example 162 Beta-secretase 1 Homo sapiens 8.50 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412960 312528195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608832 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H13ClF5N5O2/c18-9-5-28(15(22)23)27-12(9)13(29)25-6-1-2-10(19)7(3-6)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m0/s1 LZAUUZOANIOYOF-UISHXFLQSA-N 171529 US9085576, 163::US9611261, Example 163 Beta-secretase 1 Homo sapiens 13.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415303 312528196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608834 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H14ClF4N5O2/c18-10-5-27(15(21)22)26-13(10)14(28)24-7-1-2-11(20)8(3-7)17(6-19)9-4-12(9)29-16(23)25-17/h1-3,5,9,12,15H,4,6H2,(H2,23,25)(H,24,28)/t9-,12+,17+/m0/s1 UNQHKFVRHXLGIN-DKRRZFASSA-N 171530 US9085576, 164::US9611261, Example 164 Beta-secretase 1 Homo sapiens 23.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412793 312528197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608836 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3nccs3)cn2)ccc1F InChI=1S/C21H17F3N6O3S/c22-13-2-1-10(5-11(13)21(19(23)24)12-6-15(12)33-20(25)30-21)29-18(31)14-7-28-16(8-27-14)32-9-17-26-3-4-34-17/h1-5,7-8,12,15,19H,6,9H2,(H2,25,30)(H,29,31)/t12-,15+,21+/m0/s1 PBOFUWPMJICINF-QURLWZIUSA-N 171531 US9085576, 165::US9611261, Example 165 Beta-secretase 1 Homo sapiens 19.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412940 312528198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608838 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C17H15F3N4O3/c1-7-22-12(6-26-7)14(25)23-8-2-3-11(18)9(4-8)17(15(19)20)10-5-13(10)27-16(21)24-17/h2-4,6,10,13,15H,5H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,17+/m0/s1 UENZQKOWSUZQRC-MNRXQERYSA-N 171532 US9085576, 166::US9611261, Example 166 Beta-secretase 1 Homo sapiens 61.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413526 312528199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608840 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C21H17F3N6O4/c22-13-2-1-10(5-11(13)21(19(23)24)12-6-15(12)34-20(25)30-21)29-18(31)14-7-28-16(8-27-14)33-9-17-26-3-4-32-17/h1-5,7-8,12,15,19H,6,9H2,(H2,25,30)(H,29,31)/t12-,15+,21+/m0/s1 MNJPSURDWKMEDQ-QURLWZIUSA-N 171533 US9085576, 167::US9611261, Example 167 Beta-secretase 1 Homo sapiens 12.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412867 312528200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608842 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(CF)n2)ccc1F InChI=1S/C17H14F4N4O3/c18-5-13-24-11(6-27-13)14(26)23-7-1-2-10(19)8(3-7)17(15(20)21)9-4-12(9)28-16(22)25-17/h1-3,6,9,12,15H,4-5H2,(H2,22,25)(H,23,26)/t9-,12+,17+/m0/s1 ZMWQZZXSNRHAOY-DKRRZFASSA-N 171534 US9085576, 168::US9611261, Example 168 Beta-secretase 1 Homo sapiens 11.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413296 312528201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608844 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cscn3)cn2)ccc1F InChI=1S/C21H17F3N6O3S/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)33-20(25)30-21)29-18(31)15-5-27-17(6-26-15)32-7-11-8-34-9-28-11/h1-3,5-6,8-9,13,16,19H,4,7H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 DSGZYYDLHMDDDV-CQURBHOASA-N 171535 US9085576, 169::US9611261, Example 169 Beta-secretase 1 Homo sapiens 36.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412846 312528202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608846 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cncs3)cn2)ccc1F InChI=1S/C21H17F3N6O3S/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)33-20(25)30-21)29-18(31)15-6-28-17(7-27-15)32-8-11-5-26-9-34-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 JLJYQQNXSQRJBC-CQURBHOASA-N 171536 US9085576, 170::US9611261, Example 170 Beta-secretase 1 Homo sapiens 86.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415296 312528203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608848 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cnco3)cn2)ccc1F InChI=1S/C21H17F3N6O4/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)34-20(25)30-21)29-18(31)15-6-28-17(7-27-15)32-8-11-5-26-9-33-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 VITNRXGBCGCIJP-CQURBHOASA-N 171537 US9085576, 171::US9611261, Example 171 Beta-secretase 1 Homo sapiens 81.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412788 312528204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608850 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCc3nccs3)cn2)ccc1F InChI=1S/C22H18F3N5O3S/c23-15-3-1-11(7-13(15)22(20(24)25)14-8-17(14)33-21(26)30-22)29-19(31)16-4-2-12(9-28-16)32-10-18-27-5-6-34-18/h1-7,9,14,17,20H,8,10H2,(H2,26,30)(H,29,31)/t14-,17+,22+/m0/s1 FCDRQLUQQGNTSM-WTBBCNCBSA-N 171538 US9085576, 172::US9611261, Example 172 Beta-secretase 1 Homo sapiens 82.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413524 312528205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608852 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCc3ncco3)cn2)ccc1F InChI=1S/C22H18F3N5O4/c23-15-3-1-11(7-13(15)22(20(24)25)14-8-17(14)34-21(26)30-22)29-19(31)16-4-2-12(9-28-16)33-10-18-27-5-6-32-18/h1-7,9,14,17,20H,8,10H2,(H2,26,30)(H,29,31)/t14-,17+,22+/m0/s1 MVZJHTYGEYEXBX-WTBBCNCBSA-N 171539 US9085576, 173::US9611261, Example 173 Beta-secretase 1 Homo sapiens 36.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412947 312528206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608854 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cocn3)cn2)ccc1F InChI=1S/C21H17F3N6O4/c22-14-2-1-10(3-12(14)21(19(23)24)13-4-16(13)34-20(25)30-21)29-18(31)15-5-27-17(6-26-15)33-8-11-7-32-9-28-11/h1-3,5-7,9,13,16,19H,4,8H2,(H2,25,30)(H,29,31)/t13-,16+,21+/m0/s1 CSQREPJIQPTOLQ-CQURBHOASA-N 171540 US9085576, 174::US9611261, Example 174 Beta-secretase 1 Homo sapiens 23.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413278 312528207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608856 C[C@H](F)c1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F4N4O3/c1-7(19)15-25-12(6-28-15)14(27)24-8-2-3-11(20)9(4-8)18(16(21)22)10-5-13(10)29-17(23)26-18/h2-4,6-7,10,13,16H,5H2,1H3,(H2,23,26)(H,24,27)/t7-,10-,13+,18+/m0/s1 UTYIZWMPBOJMLJ-DGOADCAFSA-N 171541 US9085576, 175::US9611261, Example 175 Beta-secretase 1 Homo sapiens 2880 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441928 312528208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608858 Cc1csc(c1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N3O2S/c1-8-4-14(27-7-8)15(25)23-9-2-3-12(19)10(5-9)18(16(20)21)11-6-13(11)26-17(22)24-18/h2-5,7,11,13,16H,6H2,1H3,(H2,22,24)(H,23,25)/t11-,13+,18+/m0/s1 DPZOJXONVHUCFJ-WHWRDJHUSA-N 171542 US9085576, 176::US9611261, Example 176 Beta-secretase 1 Homo sapiens 190 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412958 312528209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608860 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(Cl)cs2)ccc1F InChI=1S/C17H13ClF3N3O2S/c18-7-3-13(27-6-7)14(25)23-8-1-2-11(19)9(4-8)17(15(20)21)10-5-12(10)26-16(22)24-17/h1-4,6,10,12,15H,5H2,(H2,22,24)(H,23,25)/t10-,12+,17+/m0/s1 XMHAOVWWUKOZLU-GSDQYQHOSA-N 171543 US9085576, 177::US9611261, Example 177 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414800 312528210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608862 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(cs2)C#N)ccc1F InChI=1S/C18H13F3N4O2S/c19-12-2-1-9(24-15(26)14-3-8(6-22)7-28-14)4-10(12)18(16(20)21)11-5-13(11)27-17(23)25-18/h1-4,7,11,13,16H,5H2,(H2,23,25)(H,24,26)/t11-,13+,18+/m0/s1 MKCZCLMZBLQTJP-WHWRDJHUSA-N 171544 US9085576, 178::US9611261, Example 178 Beta-secretase 1 Homo sapiens 1075 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414328 312528211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608864 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)s2)ccc1F InChI=1S/C17H13ClF3N3O2S/c18-13-4-3-12(27-13)14(25)23-7-1-2-10(19)8(5-7)17(15(20)21)9-6-11(9)26-16(22)24-17/h1-5,9,11,15H,6H2,(H2,22,24)(H,23,25)/t9-,11+,17+/m0/s1 OYGZZPCYLPUPMV-VKHBWIJISA-N 171545 US9085576, 179::US9611261, Example 179 Beta-secretase 1 Homo sapiens 870 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413317 312528212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608866 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H16F4N4O3/c20-8-29-10-2-4-14(25-7-10)16(28)26-9-1-3-13(21)11(5-9)19(17(22)23)12-6-15(12)30-18(24)27-19/h1-5,7,12,15,17H,6,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 BXUQSRLUYWAIIQ-IOHHAYIISA-N 171546 US9085576, 180::US9611261, Example 180 Beta-secretase 1 Homo sapiens 91.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414096 312528213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608868 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2csc(Cl)c2)ccc1F InChI=1S/C17H13ClF3N3O2S/c18-13-3-7(6-27-13)14(25)23-8-1-2-11(19)9(4-8)17(15(20)21)10-5-12(10)26-16(22)24-17/h1-4,6,10,12,15H,5H2,(H2,22,24)(H,23,25)/t10-,12+,17+/m0/s1 FXXXMDINNVTPRI-GSDQYQHOSA-N 171547 US9085576, 181::US9611261, Example 181 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412071 312528214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608870 CS(=O)(=O)c1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O4S/c1-31(28,29)10-3-5-14(24-8-10)16(27)25-9-2-4-13(20)11(6-9)19(17(21)22)12-7-15(12)30-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 CEQKSCDBFBFLHO-IOHHAYIISA-N 171548 US9085576, 182::US9611261, Example 182 Beta-secretase 1 Homo sapiens 13100 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412942 312528215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608872 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1Cl InChI=1S/C19H17ClF2N4O3/c20-14-3-1-10(25-17(27)15-4-2-11(7-24-15)28-9-22)5-12(14)19(8-21)13-6-16(13)29-18(23)26-19/h1-5,7,13,16H,6,8-9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m0/s1 AKGVZGCCTXKDCG-URKNILKWSA-N 171549 US9085576, 183::US9611261, Example 183 Beta-secretase 1 Homo sapiens 99.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412848 312528216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608874 Cc1cc(OCC#N)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F3N5O3/c1-10-6-12(31-5-4-25)9-27-17(10)18(30)28-11-2-3-15(22)13(7-11)21(19(23)24)14-8-16(14)32-20(26)29-21/h2-3,6-7,9,14,16,19H,5,8H2,1H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 MMDXGDIVCRQYFS-CMPZQBNXSA-N 171550 US9085576, 184::US9611261, Example 184 Beta-secretase 1 Homo sapiens 358 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412616 312528217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608876 Cc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C20H19F3N4O2/c1-9-5-10(2)16(25-8-9)17(28)26-11-3-4-14(21)12(6-11)20(18(22)23)13-7-15(13)29-19(24)27-20/h3-6,8,13,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 FNNIGPISEQMQMY-XBHMSOGKSA-N 171551 US9085576, 185::US9611261, Example 185 Beta-secretase 1 Homo sapiens 107 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413987 312528218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608878 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)F InChI=1S/C20H17F5N4O2/c1-8-4-9(16(22)23)7-27-15(8)17(30)28-10-2-3-13(21)11(5-10)20(18(24)25)12-6-14(12)31-19(26)29-20/h2-5,7,12,14,16,18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m0/s1 BRVKSBDXLGNTGH-KBARZSOFSA-N 171552 US9085576, 186::US9611261, Example 186 Beta-secretase 1 Homo sapiens 61.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413229 312528219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608880 COc1ccc(nn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O3/c1-28-14-5-4-12(25-26-14)15(27)23-8-2-3-11(19)9(6-8)18(16(20)21)10-7-13(10)29-17(22)24-18/h2-6,10,13,16H,7H2,1H3,(H2,22,24)(H,23,27)/t10-,13+,18+/m0/s1 MGTJJBIHQKWNIJ-CRPGXEFLSA-N 171553 US9085576, 187::US9611261, Example 187 Beta-secretase 1 Homo sapiens 3440 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415593 312528220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608882 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)(F)F InChI=1S/C20H16F6N4O2/c1-8-4-9(20(24,25)26)7-28-15(8)16(31)29-10-2-3-13(21)11(5-10)19(17(22)23)12-6-14(12)32-18(27)30-19/h2-5,7,12,14,17H,6H2,1H3,(H2,27,30)(H,29,31)/t12-,14+,19+/m0/s1 YXPCFNQPAIMDIN-BBEJJTJUSA-N 171554 US9085576, 188::US9611261, Example 188 Beta-secretase 1 Homo sapiens 40.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413190 312528221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608884 Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18F6N4O3/c1-9-4-11(33-8-20(25,26)27)7-29-16(9)17(32)30-10-2-3-14(22)12(5-10)21(18(23)24)13-6-15(13)34-19(28)31-21/h2-5,7,13,15,18H,6,8H2,1H3,(H2,28,31)(H,30,32)/t13-,15+,21+/m0/s1 PBFRSDWEHHNNAS-QDUSTFBWSA-N 171555 US9085576, 189::US9611261, Example 189 Beta-secretase 1 Homo sapiens 120 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414018 312528222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608886 Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O2/c1-9-2-5-14(24-8-9)16(27)25-10-3-4-13(20)11(6-10)19(17(21)22)12-7-15(12)28-18(23)26-19/h2-6,8,12,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 SMGMOQUKJIGDLH-IOHHAYIISA-N 171556 US9085576, 190::US9611261, Example 190 Beta-secretase 1 Homo sapiens 151 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412847 312528223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608888 CC(F)(F)Oc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F5N4O3/c1-19(24,25)32-10-3-5-14(27-8-10)16(30)28-9-2-4-13(21)11(6-9)20(17(22)23)12-7-15(12)31-18(26)29-20/h2-6,8,12,15,17H,7H2,1H3,(H2,26,29)(H,28,30)/t12-,15+,20+/m0/s1 CQPMWQPLIPZLRE-PGICJIBASA-N 171557 US9085576, 191::US9611261, Example 191 Beta-secretase 1 Homo sapiens 414 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412851 312528224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608890 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c20-9-19(13-6-16(13)28-18(23)26-19)12-5-11(2-3-14(12)21)25-17(27)15-4-1-10(7-22)8-24-15/h1-5,8,13,16H,6,9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m0/s1 DXWNBZXVWQVXCJ-URKNILKWSA-N 171558 US9085576, 192::US9611261, Example 192 Beta-secretase 1 Homo sapiens 25.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468888 312528225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608892 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H14Cl2F2N4O2/c19-8-3-12(20)15(24-6-8)16(27)25-9-1-2-13(22)10(4-9)18(7-21)11-5-14(11)28-17(23)26-18/h1-4,6,11,14H,5,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 WWKJHKHHTSVQED-UCMVZMLTSA-N 171559 US9085576, 193::US9611261, Example 193 Beta-secretase 1 Homo sapiens 44.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412683 312528226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608894 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H17F2N5O3/c1-27-15-7-22-13(6-23-15)16(26)24-9-2-3-12(20)10(4-9)18(8-19)11-5-14(11)28-17(21)25-18/h2-4,6-7,11,14H,5,8H2,1H3,(H2,21,25)(H,24,26)/t11-,14+,18+/m0/s1 IWQBEMNHHJRFBX-UCMVZMLTSA-N 171560 US9085576, 194::US9611261, Example 194 Beta-secretase 1 Homo sapiens 142 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413175 312528227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608896 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H18F2N4O3/c1-27-11-3-5-15(23-8-11)17(26)24-10-2-4-14(21)12(6-10)19(9-20)13-7-16(13)28-18(22)25-19/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m0/s1 ITANNYRSIMNKBT-URKNILKWSA-N 171561 US9085576, 195::US9611261, Example 195 Beta-secretase 1 Homo sapiens 124 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412185 312528228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608898 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H17F2N5O2/c1-10-4-11(7-23)8-25-17(10)18(28)26-12-2-3-15(22)13(5-12)20(9-21)14-6-16(14)29-19(24)27-20/h2-5,8,14,16H,6,9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 ZODJBLJBFSQKDW-YYFZDKIDSA-N 171562 US9085576, 196::US9611261, Example 196 Beta-secretase 1 Homo sapiens 32.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414666 312528229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608900 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H17F2N5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(22)12(6-11)20(10-21)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 KFLVKAJIGVJPJS-GQWAEJPESA-N 171563 US9085576, 197::US9611261, Example 197 Beta-secretase 1 Homo sapiens 6.60 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413271 312528230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608902 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O2/c1-9-4-10(20)7-24-16(9)17(27)25-11-2-3-14(22)12(5-11)19(8-21)13-6-15(13)28-18(23)26-19/h2-5,7,13,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t13-,15+,19+/m0/s1 VBRGQDODBRSLHD-ZBQZNYHESA-N 171564 US9085576, 198::US9611261, Example 198 Beta-secretase 1 Homo sapiens 33.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413745 312528231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608904 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H19F2N5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(23)13(7-12)21(11-22)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 MGDLIOXUNZQHNP-AVBTWRTFSA-N 171565 US9085576, 199::US9611261, Example 199 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412798 312528232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608906 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H18ClF2N5O2/c1-10-18(27-17-5-2-11(22)8-29(10)17)19(30)26-12-3-4-15(24)13(6-12)21(9-23)14-7-16(14)31-20(25)28-21/h2-6,8,14,16H,7,9H2,1H3,(H2,25,28)(H,26,30)/t14-,16+,21+/m0/s1 FBAHBQZESVQCKX-CMPZQBNXSA-N 171566 US9085576, 200::US9611261, Example 200 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413604 312528233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608908 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18F4N4O2/c1-9-4-10(17(23)24)7-26-16(9)18(29)27-11-2-3-14(22)12(5-11)20(8-21)13-6-15(13)30-19(25)28-20/h2-5,7,13,15,17H,6,8H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 CZKFEPSFLKILCP-XBHMSOGKSA-N 171567 US9085576, 201::US9611261, Example 201 Beta-secretase 1 Homo sapiens 63.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413928 312528234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608910 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc3ccccc3cn2)ccc1F InChI=1S/C22H18F2N4O2/c23-11-22(16-9-19(16)30-21(25)28-22)15-8-14(5-6-17(15)24)27-20(29)18-7-12-3-1-2-4-13(12)10-26-18/h1-8,10,16,19H,9,11H2,(H2,25,28)(H,27,29)/t16-,19+,22+/m0/s1 KPKKOJPCRYPPFK-DKZVUGQWSA-N 171568 US9085576, 202::US9611261, Example 202 Beta-secretase 1 Homo sapiens 500 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414762 312528235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608912 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C22H20F2N4O3/c1-2-3-8-30-14-5-7-18(26-11-14)20(29)27-13-4-6-17(24)15(9-13)22(12-23)16-10-19(16)31-21(25)28-22/h4-7,9,11,16,19H,8,10,12H2,1H3,(H2,25,28)(H,27,29)/t16-,19+,22+/m0/s1 RCAWHGOWBWKOQO-DKZVUGQWSA-N 171569 US9085576, 203::US9611261, Example 203 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415322 312528236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608914 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F InChI=1S/C18H14F2N6O2/c19-8-18(11-4-14(11)28-17(22)26-18)12-3-10(7-24-15(12)20)25-16(27)13-2-1-9(5-21)6-23-13/h1-3,6-7,11,14H,4,8H2,(H2,22,26)(H,25,27)/t11-,14+,18-/m0/s1 RCLVKLGKJDFBNF-FVMIAERFSA-N 171570 US9085576, 204::US9611261, Example 204 Beta-secretase 1 Homo sapiens 146 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413094 312528237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608916 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C21H18F2N4O3/c1-2-7-29-13-4-6-17(25-10-13)19(28)26-12-3-5-16(23)14(8-12)21(11-22)15-9-18(15)30-20(24)27-21/h1,3-6,8,10,15,18H,7,9,11H2,(H2,24,27)(H,26,28)/t15-,18+,21+/m0/s1 BELRDFRLJBDHIF-RRMPHLOHSA-N 171571 US9085576, 205::US9611261, Example 205 Beta-secretase 1 Homo sapiens 27.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413636 312528238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608918 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C19H16F2N6O3/c1-2-3-29-15-8-23-13(7-24-15)17(28)26-10-4-12(16(21)25-6-10)19(9-20)11-5-14(11)30-18(22)27-19/h1,4,6-8,11,14H,3,5,9H2,(H2,22,27)(H,26,28)/t11-,14+,19-/m0/s1 QNCZDUQHVRCMGE-SZEPBZDZSA-N 171572 US9085576, 206::US9611261, Example 206 Beta-secretase 1 Homo sapiens 9.40 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413246 312528239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608920 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cnc1F InChI=1S/C16H13ClF4N6O2/c17-9-4-27(14(20)21)26-11(9)13(28)24-6-1-8(12(19)23-3-6)16(5-18)7-2-10(7)29-15(22)25-16/h1,3-4,7,10,14H,2,5H2,(H2,22,25)(H,24,28)/t7-,10+,16-/m0/s1 SLQWRMHCWDITNP-KQKMSYGOSA-N 171573 US9085576, 207::US9611261, Example 207 Beta-secretase 1 Homo sapiens 57.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413235 312528240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608922 NC1=N[C@]([C@@H]2C[C@@H]2O1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F InChI=1S/C18H14ClF3N4O2/c19-10-4-5-13(24-8-10)15(27)25-11-3-1-2-9(6-11)17(18(20,21)22)12-7-14(12)28-16(23)26-17/h1-6,8,12,14H,7H2,(H2,23,26)(H,25,27)/t12-,14+,17+/m1/s1 OSGKYUXBEDIRSN-IFIJOSMWSA-N 171574 US9085576, 208::US9611261, Example 208 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441930 312528241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608924 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)C1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17ClF4N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20?/m0/s1 VTAUITWZZNYEHW-YBSGFIMXSA-N 171575 US9085576, 209::US9611261, Example 209 Beta-secretase 1 Homo sapiens 90.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441929 312528242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608926 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H18ClF2N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m1/s1 JLKYLAHXHDAGED-QTPGKHNVSA-N 171576 BDBM171582::US9085576, 210::US9085576, 216::US9611261, Example 216 Beta-secretase 1 Homo sapiens 3.90 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415821 312528243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608928 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1Cl InChI=1S/C18H13Cl3F2N4O2/c19-7-3-12(21)14(25-6-7)15(28)26-8-1-2-11(20)9(4-8)18(16(22)23)10-5-13(10)29-17(24)27-18/h1-4,6,10,13,16H,5H2,(H2,24,27)(H,26,28)/t10-,13+,18+/m0/s1 FXESOWILTDQCQA-CRPGXEFLSA-N 171577 US9085576, 211::US9611261, Example 211 Beta-secretase 1 Homo sapiens 12.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413224 312528244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608930 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17ClF4N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m0/s1 VTAUITWZZNYEHW-KBARZSOFSA-N 171578 US9085576, 212::US9611261, Example 212 Beta-secretase 1 Homo sapiens 46.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415325 312528245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608932 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C20H17ClF4N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m1/s1 VTAUITWZZNYEHW-VQZRKKFQSA-N 171579 US9085576, 213::US9611261, Example 213 Beta-secretase 1 Homo sapiens 2415 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413244 312528246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608934 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl InChI=1S/C18H14BrClF2N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 ZYXNABUGOAISIX-UCMVZMLTSA-N 171580 US9085576, 214::US9611261, Example 214 Beta-secretase 1 Homo sapiens 9.30 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413253 312528247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608936 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H18ClF2N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1 JLKYLAHXHDAGED-CQURBHOASA-N 171581 US9085576, 215::US9611261, Example 215 Beta-secretase 1 Homo sapiens 1.70 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413365 312528248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608938 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H18ClF2N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m1/s1 JLKYLAHXHDAGED-QTPGKHNVSA-N 171576 BDBM171582::US9085576, 210::US9085576, 216::US9611261, Example 216 Beta-secretase 1 Homo sapiens 838 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415821 312528243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608940 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)(F)F InChI=1S/C20H16ClF5N4O2/c1-8-4-9(20(24,25)26)7-28-15(8)16(31)29-10-2-3-13(21)11(5-10)19(17(22)23)12-6-14(12)32-18(27)30-19/h2-5,7,12,14,17H,6H2,1H3,(H2,27,30)(H,29,31)/t12-,14+,19+/m0/s1 DEOVLNHHAYJCGN-BBEJJTJUSA-N 171583 US9085576, 217::US9611261, Example 217 Beta-secretase 1 Homo sapiens 15.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413138 312528250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608942 NC1=N[C@]([C@@H]2C[C@@H]2O1)(c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F)C(F)(F)F InChI=1S/C18H13ClF4N4O2/c19-8-1-4-13(25-7-8)15(28)26-9-2-3-12(20)10(5-9)17(18(21,22)23)11-6-14(11)29-16(24)27-17/h1-5,7,11,14H,6H2,(H2,24,27)(H,26,28)/t11-,14+,17+/m1/s1 PNLJASPRPMJLLC-WHCBVINPSA-N 171584 US9085576, 218::US9611261, Example 218 Beta-secretase 1 Homo sapiens 861 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441934 312528251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608944 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1 OZDFQUNLUMSOKL-RAJNIJHNSA-N 171585 US9085576, 219::US9085576, 222::US9611261, Example 222 Beta-secretase 1 Homo sapiens 6.30 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412211 312528252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608946 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl InChI=1S/C17H13Cl2F4N5O2/c18-9-2-1-6(25-13(29)12-10(19)5-28(27-12)15(22)23)3-7(9)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m1/s1 VCDWFYXJYCLIKC-PRIPVJGGSA-N 171586 US9085576, 220::US9085576, 225::US9611261, Example 225 Beta-secretase 1 Homo sapiens 18.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412264 312528253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608948 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 OZDFQUNLUMSOKL-PGICJIBASA-N 171587 US9085576, 221::US9611261, Example 221 Beta-secretase 1 Homo sapiens 2.70 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413090 312528254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608950 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1 OZDFQUNLUMSOKL-RAJNIJHNSA-N 171585 US9085576, 219::US9085576, 222::US9611261, Example 222 Beta-secretase 1 Homo sapiens 701 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412211 312528252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608952 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C20H16ClF2N5O2/c1-9-4-10(7-24)8-26-16(9)17(29)27-11-2-3-14(21)12(5-11)20(18(22)23)13-6-15(13)30-19(25)28-20/h2-5,8,13,15,18H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,15+,20+/m0/s1 FVEOXUWMUZWBMG-XBHMSOGKSA-N 171589 US9085576, 223::US9611261, Example 223 Beta-secretase 1 Homo sapiens 18.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413178 312528255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608954 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl InChI=1S/C17H13Cl2F4N5O2/c18-9-2-1-6(25-13(29)12-10(19)5-28(27-12)15(22)23)3-7(9)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m0/s1 VCDWFYXJYCLIKC-UISHXFLQSA-N 171590 US9085576, 224::US9611261, Example 224 Beta-secretase 1 Homo sapiens 10.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414794 312528256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608956 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl InChI=1S/C17H13Cl2F4N5O2/c18-9-2-1-6(25-13(29)12-10(19)5-28(27-12)15(22)23)3-7(9)17(14(20)21)8-4-11(8)30-16(24)26-17/h1-3,5,8,11,14-15H,4H2,(H2,24,26)(H,25,29)/t8-,11+,17+/m1/s1 VCDWFYXJYCLIKC-PRIPVJGGSA-N 171586 US9085576, 220::US9085576, 225::US9611261, Example 225 Beta-secretase 1 Homo sapiens 8270 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412264 312528253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608958 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16ClF2N5O3/c1-28-14-7-23-12(6-24-14)15(27)25-8-2-3-11(19)9(4-8)18(16(20)21)10-5-13(10)29-17(22)26-18/h2-4,6-7,10,13,16H,5H2,1H3,(H2,22,26)(H,25,27)/t10-,13+,18+/m0/s1 FLSNQYVIXBZONP-CRPGXEFLSA-N 171592 US9085576, 226::US9611261, Example 226 Beta-secretase 1 Homo sapiens 89.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413700 312528257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608960 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c20-13-3-9(6-23)7-25-16(13)17(28)26-10-1-2-14(22)11(4-10)19(8-21)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m1/s1 XZUNYCSAJCRTCT-YFROIQMUSA-N 171593 US9085576, 227::US9611261, Example 227 Beta-secretase 1 Homo sapiens 46.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441935 312528258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608962 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c20-13-3-9(6-23)7-25-16(13)17(28)26-10-1-2-14(22)11(4-10)19(8-21)12-5-15(12)29-18(24)27-19/h1-4,7,12,15H,5,8H2,(H2,24,27)(H,26,28)/t12-,15+,19+/m0/s1 XZUNYCSAJCRTCT-IOHHAYIISA-N 171594 US9085576, 228::US9611261, Example 228 Beta-secretase 1 Homo sapiens 41.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468891 312528259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608964 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(Cl)c1 InChI=1S/C19H17ClF2N4O3/c1-28-10-5-13(20)16(24-7-10)17(27)25-9-2-3-14(22)11(4-9)19(8-21)12-6-15(12)29-18(23)26-19/h2-5,7,12,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 AKQCEODAEGEBAE-IOHHAYIISA-N 171595 US9085576, 229::US9611261, Example 229 Beta-secretase 1 Homo sapiens 34.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468892 312528260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608966 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-2-12(22-5-8)15(26)24-9-3-11(14(20)23-6-9)17(7-19)10-4-13(10)27-16(21)25-17/h1-3,5-6,10,13H,4,7H2,(H2,21,25)(H,24,26)/t10-,13+,17-/m1/s1 MRMRNMPCHKBUAA-ANTHHZPCSA-N 171596 US9085576, 230::US9611261, Example 230 Beta-secretase 1 Homo sapiens 11950 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412352 312528261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608968 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H14ClF2N5O2/c18-8-1-2-12(22-5-8)15(26)24-9-3-11(14(20)23-6-9)17(7-19)10-4-13(10)27-16(21)25-17/h1-3,5-6,10,13H,4,7H2,(H2,21,25)(H,24,26)/t10-,13+,17-/m0/s1 MRMRNMPCHKBUAA-GDKCJGSASA-N 171597 US9085576, 231::US9611261, Example 231 Beta-secretase 1 Homo sapiens 165 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412680 312528262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608970 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C21H17F3N4O3/c1-2-7-30-12-4-6-16(26-10-12)18(29)27-11-3-5-15(22)13(8-11)21(19(23)24)14-9-17(14)31-20(25)28-21/h1,3-6,8,10,14,17,19H,7,9H2,(H2,25,28)(H,27,29)/t14-,17+,21+/m0/s1 MQQVEJXPHIMTLM-AVBTWRTFSA-N 171598 US9085576, 232::US9611261, Example 232 Beta-secretase 1 Homo sapiens 16.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413750 312528263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608972 CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C22H19F3N4O3/c1-2-3-8-31-13-5-7-17(27-11-13)19(30)28-12-4-6-16(23)14(9-12)22(20(24)25)15-10-18(15)32-21(26)29-22/h4-7,9,11,15,18,20H,8,10H2,1H3,(H2,26,29)(H,28,30)/t15-,18+,22+/m0/s1 ZDYLDNZVGCYMTJ-QXATTWAWSA-N 171599 US9085576, 233::US9611261, Example 233 Beta-secretase 1 Homo sapiens 5.70 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412840 312528264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608974 Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F4N5O2/c1-8-2-9(15(21)22)5-25-14(8)17(29)27-10-3-12(16(23)26-6-10)19(7-20)11-4-13(11)30-18(24)28-19/h2-3,5-6,11,13,15H,4,7H2,1H3,(H2,24,28)(H,27,29)/t11-,13+,19-/m0/s1 PLDDCQCMOHMNFP-XAEJFWIOSA-N 171600 US9085576, 234::US9611261, Example 234 Beta-secretase 1 Homo sapiens 283 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413540 312528265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608976 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1F InChI=1S/C17H14BrF2N5O2/c18-8-1-2-12(22-5-8)15(26)24-9-3-11(14(20)23-6-9)17(7-19)10-4-13(10)27-16(21)25-17/h1-3,5-6,10,13H,4,7H2,(H2,21,25)(H,24,26)/t10-,13+,17-/m0/s1 VWBHVOJKDZJIAQ-GDKCJGSASA-N 171601 US9085576, 235::US9611261, Example 235 Beta-secretase 1 Homo sapiens 126 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413326 312528266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608978 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C20H16F6N4O3/c21-13-3-1-9(5-11(13)20(17(22)23)12-6-15(12)33-18(27)30-20)29-16(31)14-4-2-10(7-28-14)32-8-19(24,25)26/h1-5,7,12,15,17H,6,8H2,(H2,27,30)(H,29,31)/t12-,15+,20+/m0/s1 VKGJDNHLCJLZSF-PGICJIBASA-N 171602 US9085576, 236::US9611261, Example 236 Beta-secretase 1 Homo sapiens 104 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413101 312528267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608980 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F5N4O3/c1-8-4-10(31-18(24)25)7-27-15(8)16(30)28-9-2-3-13(21)11(5-9)20(17(22)23)12-6-14(12)32-19(26)29-20/h2-5,7,12,14,17-18H,6H2,1H3,(H2,26,29)(H,28,30)/t12-,14+,20+/m0/s1 AZQBTXGCOVMMKB-KBARZSOFSA-N 171603 US9085576, 237::US9611261, Example 237 Beta-secretase 1 Homo sapiens 37.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468893 312528268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608982 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F InChI=1S/C18H14F5N5O3/c19-10-2-1-7(27-14(29)11-5-26-13(6-25-11)31-16(22)23)3-8(10)18(15(20)21)9-4-12(9)30-17(24)28-18/h1-3,5-6,9,12,15-16H,4H2,(H2,24,28)(H,27,29)/t9-,12+,18+/m0/s1 RJJGEYWYAXLUHB-PCULOGHHSA-N 171604 US9085576, 238::US9611261, Example 238 Beta-secretase 1 Homo sapiens 21.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414107 312528269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608984 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CCCCC2)ccc1F InChI=1S/C19H22F3N3O2/c20-14-7-6-11(24-16(26)10-4-2-1-3-5-10)8-12(14)19(17(21)22)13-9-15(13)27-18(23)25-19/h6-8,10,13,15,17H,1-5,9H2,(H2,23,25)(H,24,26)/t13-,15+,19+/m0/s1 ZVMBSWATJUUPMJ-ZBQZNYHESA-N 171605 US9085576, 239::US9611261, Example 239 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412074 312528270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608986 COCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C15H16F3N3O3/c1-23-6-12(22)20-7-2-3-10(16)8(4-7)15(13(17)18)9-5-11(9)24-14(19)21-15/h2-4,9,11,13H,5-6H2,1H3,(H2,19,21)(H,20,22)/t9-,11+,15+/m0/s1 JJSHKENNJOTJRO-ZVWUFJHRSA-N 171606 US9085576, 240::US9611261, Example 240 Beta-secretase 1 Homo sapiens 821 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414654 312528271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608988 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)CC2CCCCC2)ccc1F InChI=1S/C20H24F3N3O2/c21-15-7-6-12(25-17(27)8-11-4-2-1-3-5-11)9-13(15)20(18(22)23)14-10-16(14)28-19(24)26-20/h6-7,9,11,14,16,18H,1-5,8,10H2,(H2,24,26)(H,25,27)/t14-,16+,20+/m0/s1 BDBDXBVGWUEDBA-YYFZDKIDSA-N 171607 US9085576, 241::US9611261, Example 241 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413678 312528272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608990 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CCOCC2)ccc1F InChI=1S/C18H20F3N3O3/c19-13-2-1-10(23-15(25)9-3-5-26-6-4-9)7-11(13)18(16(20)21)12-8-14(12)27-17(22)24-18/h1-2,7,9,12,14,16H,3-6,8H2,(H2,22,24)(H,23,25)/t12-,14+,18+/m0/s1 GIZGEJKHCQNBKD-WPKBUWHJSA-N 171608 US9085576, 242::US9611261, Example 242 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414541 312528273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608992 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2=CCCCC2)ccc1F InChI=1S/C19H20F3N3O2/c20-14-7-6-11(24-16(26)10-4-2-1-3-5-10)8-12(14)19(17(21)22)13-9-15(13)27-18(23)25-19/h4,6-8,13,15,17H,1-3,5,9H2,(H2,23,25)(H,24,26)/t13-,15+,19+/m0/s1 WLJVGCAUZUWPGH-ZBQZNYHESA-N 171609 US9085576, 243::US9611261, Example 243 Beta-secretase 1 Homo sapiens 24421 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413603 312528274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608994 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)[C@H]2CCCO2)ccc1F InChI=1S/C17H18F3N3O3/c18-11-4-3-8(22-14(24)12-2-1-5-25-12)6-9(11)17(15(19)20)10-7-13(10)26-16(21)23-17/h3-4,6,10,12-13,15H,1-2,5,7H2,(H2,21,23)(H,22,24)/t10-,12+,13+,17+/m0/s1 LJADZUBXYCEOAA-BMGIQWSVSA-N 171610 US9085576, 244::US9611261, Example 244 Beta-secretase 1 Homo sapiens 5370 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412554 312528275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608996 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2(CC2)c2ccc(Cl)cc2)ccc1F InChI=1S/C22H19ClF3N3O2/c23-12-3-1-11(2-4-12)21(7-8-21)19(30)28-13-5-6-16(24)14(9-13)22(18(25)26)15-10-17(15)31-20(27)29-22/h1-6,9,15,17-18H,7-8,10H2,(H2,27,29)(H,28,30)/t15-,17+,22+/m0/s1 ATVZEZSBWBXGDF-LBUQITIBSA-N 171611 US9085576, 245::US9611261, Example 245 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414087 312528276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 608998 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2(CCC2)c2ccc(Cl)cc2)ccc1F InChI=1S/C23H21ClF3N3O2/c24-13-4-2-12(3-5-13)22(8-1-9-22)20(31)29-14-6-7-17(25)15(10-14)23(19(26)27)16-11-18(16)32-21(28)30-23/h2-7,10,16,18-19H,1,8-9,11H2,(H2,28,30)(H,29,31)/t16-,18+,23+/m0/s1 WXQHCSRIQAGPFT-PRCFCKQXSA-N 171612 US9085576, 246::US9611261, Example 246 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413306 312528277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609000 COCCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C16H18F3N3O3/c1-24-5-4-13(23)21-8-2-3-11(17)9(6-8)16(14(18)19)10-7-12(10)25-15(20)22-16/h2-3,6,10,12,14H,4-5,7H2,1H3,(H2,20,22)(H,21,23)/t10-,12+,16+/m0/s1 ZXNYETUNRSKDIN-KANYHAFZSA-N 171613 US9085576, 247::US9611261, Example 247 Beta-secretase 1 Homo sapiens 25543 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412785 312528278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609002 Cn1cc(ccc1=O)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O3/c1-26-8-9(2-5-15(26)27)16(28)24-10-3-4-13(20)11(6-10)19(17(21)22)12-7-14(12)29-18(23)25-19/h2-6,8,12,14,17H,7H2,1H3,(H2,23,25)(H,24,28)/t12-,14+,19+/m0/s1 VAKBYCOJGQLGPR-BBEJJTJUSA-N 171614 US9085576, 248::US9611261, Example 248 Beta-secretase 1 Homo sapiens 40486 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413690 312528279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609004 Cn1ccc(cc1=O)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O3/c1-26-5-4-9(6-15(26)27)16(28)24-10-2-3-13(20)11(7-10)19(17(21)22)12-8-14(12)29-18(23)25-19/h2-7,12,14,17H,8H2,1H3,(H2,23,25)(H,24,28)/t12-,14+,19+/m0/s1 SDSXLXZYUUISCK-BBEJJTJUSA-N 171615 US9085576, 249::US9611261, Example 249 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415589 312528280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609006 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#CC3CC3)cn2)ccc1F InChI=1S/C24H21F3N4O3/c25-18-7-5-14(10-16(18)24(22(26)27)17-11-20(17)34-23(28)31-24)30-21(32)19-8-6-15(12-29-19)33-9-1-2-13-3-4-13/h5-8,10,12-13,17,20,22H,3-4,9,11H2,(H2,28,31)(H,30,32)/t17-,20+,24+/m0/s1 YJTGPECJMTWUKJ-WPSZSDGUSA-N 171616 US9085576, 250::US9611261, Example 250 Beta-secretase 1 Homo sapiens 21.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171616&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412656 312528281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609008 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)CC(F)(F)F)ccc1F InChI=1S/C15H13F6N3O2/c16-9-2-1-6(23-11(25)5-14(19,20)21)3-7(9)15(12(17)18)8-4-10(8)26-13(22)24-15/h1-3,8,10,12H,4-5H2,(H2,22,24)(H,23,25)/t8-,10+,15+/m0/s1 VICFSQGJYMJNMZ-SVIKCVJRSA-N 171617 US9085576, 251::US9611261, Example 251 Beta-secretase 1 Homo sapiens 4700 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171617&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413219 312528282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609010 C[C@H](C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cc1 InChI=1S/C21H19ClF3N3O2/c1-10(11-2-4-12(22)5-3-11)18(29)27-13-6-7-16(23)14(8-13)21(19(24)25)15-9-17(15)30-20(26)28-21/h2-8,10,15,17,19H,9H2,1H3,(H2,26,28)(H,27,29)/t10-,15-,17+,21+/m0/s1 WYXOVLBNEKKQAS-VPZKPWADSA-N 171618 US9085576, 252::US9611261, Example 252 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171618&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441936 312528283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609012 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)[C@@H]2CCOC2)ccc1F InChI=1S/C17H18F3N3O3/c18-12-2-1-9(22-14(24)8-3-4-25-7-8)5-10(12)17(15(19)20)11-6-13(11)26-16(21)23-17/h1-2,5,8,11,13,15H,3-4,6-7H2,(H2,21,23)(H,22,24)/t8-,11+,13-,17-/m1/s1 IJIOGMIXLJQLPJ-IWZKCGIKSA-N 171619 US9085576, 253::US9611261, Example 253 Beta-secretase 1 Homo sapiens 34304 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171619&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413132 312528284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609014 CC(C)(C)OCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H22F3N3O3/c1-17(2,3)26-8-14(25)23-9-4-5-12(19)10(6-9)18(15(20)21)11-7-13(11)27-16(22)24-18/h4-6,11,13,15H,7-8H2,1-3H3,(H2,22,24)(H,23,25)/t11-,13+,18+/m0/s1 DJYMPHOPKGKESD-WHWRDJHUSA-N 171620 US9085576, 254::US9611261, Example 254 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412622 312528285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609016 COCCOCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C17H20F3N3O4/c1-25-4-5-26-8-14(24)22-9-2-3-12(18)10(6-9)17(15(19)20)11-7-13(11)27-16(21)23-17/h2-3,6,11,13,15H,4-5,7-8H2,1H3,(H2,21,23)(H,22,24)/t11-,13+,17+/m0/s1 PJHAQZLTXQVMJR-XTQGRXLLSA-N 171621 US9085576, 255::US9611261, Example 255 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412189 312528286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609018 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)COc2ccccc2)ccc1F InChI=1S/C20H18F3N3O3/c21-15-7-6-11(25-17(27)10-28-12-4-2-1-3-5-12)8-13(15)20(18(22)23)14-9-16(14)29-19(24)26-20/h1-8,14,16,18H,9-10H2,(H2,24,26)(H,25,27)/t14-,16+,20+/m0/s1 NOESOXMJWWTJKS-YYFZDKIDSA-N 171622 US9085576, 256::US9611261, Example 256 Beta-secretase 1 Homo sapiens 6660 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413353 312528287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609020 CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C16H18F3N3O3/c1-7(24-2)13(23)21-8-3-4-11(17)9(5-8)16(14(18)19)10-6-12(10)25-15(20)22-16/h3-5,7,10,12,14H,6H2,1-2H3,(H2,20,22)(H,21,23)/t7-,10+,12-,16-/m1/s1 BEXIJQGNXMGJQN-AHRHCDRZSA-N 171623 US9085576, 257::US9611261, Example 257 Beta-secretase 1 Homo sapiens 1840 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412345 312528288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609022 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CC(=O)C2)ccc1F InChI=1S/C17H16F3N3O3/c18-12-2-1-8(22-14(25)7-3-9(24)4-7)5-10(12)17(15(19)20)11-6-13(11)26-16(21)23-17/h1-2,5,7,11,13,15H,3-4,6H2,(H2,21,23)(H,22,25)/t11-,13+,17+/m0/s1 CBLUCUQLKPVIAZ-XTQGRXLLSA-N 171624 US9085576, 258::US9611261, Example 258 Beta-secretase 1 Homo sapiens 20054 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171624&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413255 312528289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609024 C[C@@H](Oc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O3/c1-10(8-25)31-12-3-5-16(27-9-12)18(30)28-11-2-4-15(22)13(6-11)21(19(23)24)14-7-17(14)32-20(26)29-21/h2-6,9-10,14,17,19H,7H2,1H3,(H2,26,29)(H,28,30)/t10-,14+,17-,21-/m1/s1 VPRCCPHSNCWWDN-ZDYJSIIZSA-N 171625 US9085576, 259::US9611261, Example 259 Beta-secretase 1 Homo sapiens 660 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171625&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441938 312528290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609026 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C16H16F3N3O2/c17-11-4-3-8(21-13(23)7-1-2-7)5-9(11)16(14(18)19)10-6-12(10)24-15(20)22-16/h3-5,7,10,12,14H,1-2,6H2,(H2,20,22)(H,21,23)/t10-,12+,16+/m0/s1 AVYBUTDARNOIIF-KANYHAFZSA-N 171626 US9085576, 260::US9611261, Example 260 Beta-secretase 1 Homo sapiens 5170 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413093 312528291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609028 NC1=N[C@@](C(F)F)([C@H]2CC2O1)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H13ClF3N5O2/c18-13-6-23-11(5-24-13)14(27)25-7-1-2-10(19)8(3-7)17(15(20)21)9-4-12(9)28-16(22)26-17/h1-3,5-6,9,12,15H,4H2,(H2,22,26)(H,25,27)/t9-,12?,17+/m0/s1 GROXSZVBRZNJAF-FESUBBBXSA-N 314742 N-(3-((1R,5S,6R)-3- amino-5- (difluoromethyl)-2-oxa- 4-azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)-5- chloropyrazine-2- carboxamide::US9611261, Example 261 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126755306 383541568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609030 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C#Cc2ccccc2)ccc1F InChI=1S/C21H16F3N3O2/c22-16-8-7-13(26-18(28)9-6-12-4-2-1-3-5-12)10-14(16)21(19(23)24)15-11-17(15)29-20(25)27-21/h1-5,7-8,10,15,17,19H,11H2,(H2,25,27)(H,26,28)/t15-,17+,21+/m0/s1 LDKKKYIORTWXDX-LUQKVYGDSA-N 171628 US9085576, 262::US9611261, Example 262 Beta-secretase 1 Homo sapiens 246 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413072 312528293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609032 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF2N4O2/c19-10-4-5-13(23-8-10)15(26)24-11-3-1-2-9(6-11)18(16(20)21)12-7-14(12)27-17(22)25-18/h1-6,8,12,14,16H,7H2,(H2,22,25)(H,24,26)/t12-,14+,18+/m0/s1 XXSQZGRYENIHEO-WPKBUWHJSA-N 171629 US9085576, 263::US9085576, 265::US9611261, Example 265 Beta-secretase 1 Homo sapiens 525 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413257 312528294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609034 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF2N4O2/c19-10-4-5-13(23-8-10)15(26)24-11-3-1-2-9(6-11)18(16(20)21)12-7-14(12)27-17(22)25-18/h1-6,8,12,14,16H,7H2,(H2,22,25)(H,24,26)/t12-,14+,18+/m1/s1 XXSQZGRYENIHEO-IAISJRAMSA-N 171630 US9085576, 264::US9611261, Example 264 Beta-secretase 1 Homo sapiens 35904 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413260 312528295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609036 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C18H15ClF2N4O2/c19-10-4-5-13(23-8-10)15(26)24-11-3-1-2-9(6-11)18(16(20)21)12-7-14(12)27-17(22)25-18/h1-6,8,12,14,16H,7H2,(H2,22,25)(H,24,26)/t12-,14+,18+/m0/s1 XXSQZGRYENIHEO-WPKBUWHJSA-N 171629 US9085576, 263::US9085576, 265::US9611261, Example 265 Beta-secretase 1 Homo sapiens 265 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413257 312528294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609038 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H16F3N5O2/c1-8-6-24-13(7-23-8)15(27)25-9-2-3-12(19)10(4-9)18(16(20)21)11-5-14(11)28-17(22)26-18/h2-4,6-7,11,14,16H,5H2,1H3,(H2,22,26)(H,25,27)/t11-,14+,18+/m0/s1 SIQCPFMGRNDORT-UCMVZMLTSA-N 171632 US9085576, 266::US9611261, Example 266 Beta-secretase 1 Homo sapiens 817 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413006 312528296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609040 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C17H13BrF3N5O2/c18-7-5-23-13(24-6-7)14(27)25-8-1-2-11(19)9(3-8)17(15(20)21)10-4-12(10)28-16(22)26-17/h1-3,5-6,10,12,15H,4H2,(H2,22,26)(H,25,27)/t10-,12+,17+/m0/s1 TXJMDSYOOFMAPA-GSDQYQHOSA-N 171633 US9085576, 267::US9611261, Example 267 Beta-secretase 1 Homo sapiens 41.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401291 312528297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609042 Cc1ccc(NC(=O)c2ccc(cn2)C#N)cc1[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H17F2N5O2/c1-10-2-4-12(26-17(28)15-5-3-11(8-23)9-25-15)6-13(10)20(18(21)22)14-7-16(14)29-19(24)27-20/h2-6,9,14,16,18H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 NCIHLIKSGIZAGO-YYFZDKIDSA-N 171635 US9085576, 269::US9611261, Example 269 Beta-secretase 1 Homo sapiens 93.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401358 312528298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609044 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H15Cl2FN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 PHALMLPUYSAMCZ-WBHUJUFNSA-N 171636 US9085576, 270::US9611261, Example 270 Beta-secretase 1 Homo sapiens 66.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413160 312528299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609046 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H15Cl2FN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 PHALMLPUYSAMCZ-MRAWALMUSA-N 171637 US9085576, 271::US9085576, 276::US9611261, Example 271 Beta-secretase 1 Homo sapiens 24087 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413523 312528300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609048 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H17ClFN5O3/c1-27-15-7-22-13(6-23-15)16(26)24-9-2-3-12(19)10(4-9)18(8-20)11-5-14(11)28-17(21)25-18/h2-4,6-7,11,14H,5,8H2,1H3,(H2,21,25)(H,24,26)/t11-,14+,18+/m0/s1 ILNWOKQUHNCRBO-UCMVZMLTSA-N 171638 US9085576, 272::US9611261, Example 272 Beta-secretase 1 Homo sapiens 142 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413187 312528301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609050 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H17ClFN5O3/c1-27-15-7-22-13(6-23-15)16(26)24-9-2-3-12(19)10(4-9)18(8-20)11-5-14(11)28-17(21)25-18/h2-4,6-7,11,14H,5,8H2,1H3,(H2,21,25)(H,24,26)/t11-,14+,18+/m1/s1 ILNWOKQUHNCRBO-VZSAFFHGSA-N 171639 US9085576, 273::US9611261, Example 273 Beta-secretase 1 Homo sapiens 36330 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413533 312528302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609052 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl InChI=1S/C18H15BrClFN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m0/s1 UZCLYOIVDQZQDG-WBHUJUFNSA-N 171640 US9085576, 274::US9611261, Example 274 Beta-secretase 1 Homo sapiens 32.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412662 312528303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609054 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl InChI=1S/C18H15BrClFN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15+,18+/m1/s1 UZCLYOIVDQZQDG-MRAWALMUSA-N 171641 US9085576, 275::US9611261, Example 275 Beta-secretase 1 Homo sapiens 3605 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414792 312528304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609056 NC1=N[C@](CF)([C@@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl InChI=1S/C18H15Cl2FN4O2/c19-9-1-4-14(23-7-9)16(26)24-10-2-3-13(20)11(5-10)18(8-21)12-6-15(12)27-17(22)25-18/h1-5,7,12,15H,6,8H2,(H2,22,25)(H,24,26)/t12-,15-,18+/m1/s1 PHALMLPUYSAMCZ-DWQUBVKVSA-N 314756 N-(3-(((1R,S), (5S,R), (6R,S))-3-amino-5- (fluoromethyl)-2-oxa-4- azabicyclo[4.1.0]hept-3- en-5-yl)-4- chlorophenyl)-5- chloropicolinamide::US9611261, Example 276 Beta-secretase 1 Homo sapiens 138 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441939 383541580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609058 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H15ClFN5O2/c20-14-3-2-11(25-17(27)15-4-1-10(7-22)8-24-15)5-12(14)19(9-21)13-6-16(13)28-18(23)26-19/h1-5,8,13,16H,6,9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m0/s1 ZWERIHPDBHICGA-URKNILKWSA-N 171643 US9085576, 277::US9611261, Example 277 Beta-secretase 1 Homo sapiens 56.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413880 312528305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609060 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl InChI=1S/C19H15ClFN5O2/c20-14-3-2-11(25-17(27)15-4-1-10(7-22)8-24-15)5-12(14)19(9-21)13-6-16(13)28-18(23)26-19/h1-5,8,13,16H,6,9H2,(H2,23,26)(H,25,27)/t13-,16+,19+/m1/s1 ZWERIHPDBHICGA-AZOIQLNYSA-N 171644 US9085576, 278::US9611261, Example 278 Beta-secretase 1 Homo sapiens 9510 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413220 312528306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609062 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H17ClFN5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(21)12(6-11)20(10-22)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 AJSWZVUYUZVZBK-GQWAEJPESA-N 171645 US9085576, 279::US9611261, Example 279 Beta-secretase 1 Homo sapiens 5.60 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413383 312528307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609064 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl InChI=1S/C20H17ClFN5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(21)12(6-11)20(10-22)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m1/s1 AJSWZVUYUZVZBK-PSGMQZRDSA-N 171646 US9085576, 280::US9611261, Example 280 Beta-secretase 1 Homo sapiens 4780 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414676 312528308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609066 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1Cl InChI=1S/C18H14Cl3FN4O2/c19-8-3-13(21)15(24-6-8)16(27)25-9-1-2-12(20)10(4-9)18(7-22)11-5-14(11)28-17(23)26-18/h1-4,6,11,14H,5,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 AUIDZPYMVWBDJY-UCMVZMLTSA-N 171647 US9085576, 281::US9611261, Example 281 Beta-secretase 1 Homo sapiens 44.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412755 312528309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609068 COc1ccc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H18ClFN4O3/c1-27-11-3-5-15(23-8-11)17(26)24-10-2-4-14(20)12(6-10)19(9-21)13-7-16(13)28-18(22)25-19/h2-6,8,13,16H,7,9H2,1H3,(H2,22,25)(H,24,26)/t13-,16+,19+/m0/s1 UASMUALLDBEHIL-URKNILKWSA-N 171648 US9085576, 282::US9611261, Example 282 Beta-secretase 1 Homo sapiens 196 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412349 312528310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609070 Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H17ClFN5O2/c1-10-4-11(7-23)8-25-17(10)18(28)26-12-2-3-15(21)13(5-12)20(9-22)14-6-16(14)29-19(24)27-20/h2-5,8,14,16H,6,9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1 VLKWQZOQIHLUFL-YYFZDKIDSA-N 171649 US9085576, 283::US9611261, Example 283 Beta-secretase 1 Homo sapiens 31.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414776 312528311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609072 COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(Cl)c1 InChI=1S/C19H17Cl2FN4O3/c1-28-10-5-14(21)16(24-7-10)17(27)25-9-2-3-13(20)11(4-9)19(8-22)12-6-15(12)29-18(23)26-19/h2-5,7,12,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t12-,15+,19+/m0/s1 WAIBHJIYHTXPHM-IOHHAYIISA-N 171650 US9085576, 284::US9611261, Example 284 Beta-secretase 1 Homo sapiens 122 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412959 312528312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609074 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H19ClFN5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(22)13(7-12)21(11-23)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 IOBHUULPCQQFMD-AVBTWRTFSA-N 171651 US9085576, 285::US9611261, Example 285 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414780 312528313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609076 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cccc(Cl)n2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-14-3-1-2-12(25-14)15(27)24-8-4-5-11(20)9(6-8)18(16(21)22)10-7-13(10)28-17(23)26-18/h1-6,10,13,16H,7H2,(H2,23,26)(H,24,27)/t10-,13+,18+/m0/s1 MCBLBBBZUWRTTA-CRPGXEFLSA-N 171652 US9085576, 286::US9611261, Example 286 Beta-secretase 1 Homo sapiens 1570 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412204 312528314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609078 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F InChI=1S/C18H14ClF3N4O2/c19-8-3-4-24-13(5-8)15(27)25-9-1-2-12(20)10(6-9)18(16(21)22)11-7-14(11)28-17(23)26-18/h1-6,11,14,16H,7H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m0/s1 UMWSUMBPDOMSMW-UCMVZMLTSA-N 171653 US9085576, 287::US9611261, Example 287 Beta-secretase 1 Homo sapiens 1930 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412192 312528315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609080 CC(C)c1cccnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H21F3N4O2/c1-10(2)12-4-3-7-26-17(12)18(29)27-11-5-6-15(22)13(8-11)21(19(23)24)14-9-16(14)30-20(25)28-21/h3-8,10,14,16,19H,9H2,1-2H3,(H2,25,28)(H,27,29)/t14-,16+,21+/m0/s1 JDLCQMGUYLJFPQ-CMPZQBNXSA-N 171654 US9085576, 288::US9611261, Example 288 Beta-secretase 1 Homo sapiens 3345 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413374 312528316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609082 CC(C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H20ClF3N4O2/c1-9(2)12-5-10(22)8-27-17(12)18(30)28-11-3-4-15(23)13(6-11)21(19(24)25)14-7-16(14)31-20(26)29-21/h3-6,8-9,14,16,19H,7H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 SPPMAGBUKCBTQD-CMPZQBNXSA-N 171655 US9085576, 289::US9611261, Example 289 Beta-secretase 1 Homo sapiens 305 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414815 312528317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609084 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Br)cc2C(F)F)ccc1F InChI=1S/C19H14BrF5N4O2/c20-7-3-9(15(22)23)14(27-6-7)16(30)28-8-1-2-12(21)10(4-8)19(17(24)25)11-5-13(11)31-18(26)29-19/h1-4,6,11,13,15,17H,5H2,(H2,26,29)(H,28,30)/t11-,13+,19+/m0/s1 NGKVQYJFGRQPLW-CENXUZMRSA-N 171656 US9085576, 290::US9611261, Example 290 Beta-secretase 1 Homo sapiens 14.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413693 312528318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609086 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)-c2ccccc2)ccc1F InChI=1S/C24H19F3N4O2/c25-18-8-7-15(10-16(18)24(22(26)27)17-11-20(17)33-23(28)31-24)30-21(32)19-9-6-14(12-29-19)13-4-2-1-3-5-13/h1-10,12,17,20,22H,11H2,(H2,28,31)(H,30,32)/t17-,20+,24+/m0/s1 ZVXMNGAIFYVSQQ-WPSZSDGUSA-N 171657 US9085576, 291::US9611261, Example 291 Beta-secretase 1 Homo sapiens 1145 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414603 312528319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609088 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccccn2)ccc1F InChI=1S/C18H15F3N4O2/c19-12-5-4-9(24-15(26)13-3-1-2-6-23-13)7-10(12)18(16(20)21)11-8-14(11)27-17(22)25-18/h1-7,11,14,16H,8H2,(H2,22,25)(H,24,26)/t11-,14+,18+/m0/s1 NYTZYMHDMQJGQV-UCMVZMLTSA-N 171658 US9085576, 292::US9611261, Example 292 Beta-secretase 1 Homo sapiens 300 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413218 312528320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609090 Cc1cccnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17F3N4O2/c1-9-3-2-6-24-15(9)16(27)25-10-4-5-13(20)11(7-10)19(17(21)22)12-8-14(12)28-18(23)26-19/h2-7,12,14,17H,8H2,1H3,(H2,23,26)(H,25,27)/t12-,14+,19+/m0/s1 FMPPQMWLURDGIQ-BBEJJTJUSA-N 171659 US9085576, 293::US9611261, Example 293 Beta-secretase 1 Homo sapiens 271 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413232 312528321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609092 COc1cnc(cn1)C(=O)Nc1ccc(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H19F2N5O3/c1-9-3-4-10(25-16(27)13-7-24-15(28-2)8-23-13)5-11(9)19(17(20)21)12-6-14(12)29-18(22)26-19/h3-5,7-8,12,14,17H,6H2,1-2H3,(H2,22,26)(H,25,27)/t12-,14+,19+/m0/s1 JBMAHVOQYLZIAZ-BBEJJTJUSA-N 171660 US9085576, 294::US9611261, Example 294 Beta-secretase 1 Homo sapiens 314 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412784 312528322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609094 Cc1ccc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H17ClF2N4O2/c1-9-2-4-11(25-16(27)14-5-3-10(20)8-24-14)6-12(9)19(17(21)22)13-7-15(13)28-18(23)26-19/h2-6,8,13,15,17H,7H2,1H3,(H2,23,26)(H,25,27)/t13-,15+,19+/m0/s1 CZVQODOOWZRPDI-ZBQZNYHESA-N 171661 US9085576, 295::US9611261, Example 295 Beta-secretase 1 Homo sapiens 90.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413872 312528323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609096 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H14BrF3N4O2/c19-8-1-4-13(24-7-8)15(27)25-9-2-3-12(20)10(5-9)18(16(21)22)11-6-14(11)28-17(23)26-18/h1-5,7,11,14,16H,6H2,(H2,23,26)(H,25,27)/t11-,14+,18+/m1/s1 KLDGVZBFMGQONH-VZSAFFHGSA-N 171662 US9085576, 296::US9611261, Example 296 Beta-secretase 1 Homo sapiens 4185 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412943 312528324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609098 COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O3/c1-28-15-4-9(20)7-24-16(15)17(27)25-10-2-3-13(22)11(5-10)19(8-21)12-6-14(12)29-18(23)26-19/h2-5,7,12,14H,6,8H2,1H3,(H2,23,26)(H,25,27)/t12-,14+,19+/m0/s1 XEYOHXMBHJEXGS-BBEJJTJUSA-N 314777 N-(3-((1R,5S,6R)-3- amino-5-(fluoromethyl)- 2-oxa-4- azabicyclo[4.1.0]hept-3- en-5-yl)-4- chlorophenyl)-5-chloro- 3-methoxypicolinamide::US9611261, Example 297 Beta-secretase 1 Homo sapiens 184 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122580952 383541601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609100 Cc1cc(NC(=O)c2ncc(cn2)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H15F3N6O2/c1-8-2-10(27-16(29)15-25-6-9(5-23)7-26-15)3-12(14(8)20)19(17(21)22)11-4-13(11)30-18(24)28-19/h2-3,6-7,11,13,17H,4H2,1H3,(H2,24,28)(H,27,29)/t11-,13+,19-/m0/s1 DQSLYDYWYFZCGF-XAEJFWIOSA-N 171664 US9085576, 298::US9611261, Example 298 Beta-secretase 1 Homo sapiens 99.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412652 312528326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609102 COc1cnc(cn1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H18F3N5O3/c1-8-3-9(26-16(28)12-6-25-14(29-2)7-24-12)4-11(15(8)20)19(17(21)22)10-5-13(10)30-18(23)27-19/h3-4,6-7,10,13,17H,5H2,1-2H3,(H2,23,27)(H,26,28)/t10-,13+,19-/m0/s1 RJMGPWYVJLHXRE-VARDARPISA-N 171665 US9085576, 299::US9611261, Example 299 Beta-secretase 1 Homo sapiens 30.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415579 312528327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609104 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1 InChI=1S/C20H20F3N5O3/c1-8-4-10(27-17(29)16-9(2)26-14(30-3)7-25-16)5-12(15(8)21)20(18(22)23)11-6-13(11)31-19(24)28-20/h4-5,7,11,13,18H,6H2,1-3H3,(H2,24,28)(H,27,29)/t11-,13+,20-/m0/s1 KWSLJWBQHGENGP-SCLGINMFSA-N 171666 US9085576, 300::US9611261, Example 300 Beta-secretase 1 Homo sapiens 142 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414094 312528328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609106 COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(C)n1 InChI=1S/C19H19ClFN5O3/c1-9-16(23-7-15(24-9)28-2)17(27)25-10-3-4-13(20)11(5-10)19(8-21)12-6-14(12)29-18(22)26-19/h3-5,7,12,14H,6,8H2,1-2H3,(H2,22,26)(H,25,27)/t12-,14+,19+/m0/s1 VGJFITXUIUIGSC-BBEJJTJUSA-N 171667 US9085576, 301::US9611261, Example 301 Beta-secretase 1 Homo sapiens 352 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413128 312528329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609108 Cc1cc(NC(=O)c2ncc(Cl)cc2F)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H15ClF4N4O2/c1-7-2-9(27-16(29)15-12(21)3-8(20)6-26-15)4-11(14(7)22)19(17(23)24)10-5-13(10)30-18(25)28-19/h2-4,6,10,13,17H,5H2,1H3,(H2,25,28)(H,27,29)/t10-,13+,19-/m0/s1 RGYGKMWXQDBSCB-VARDARPISA-N 171668 US9085576, 302::US9611261, Example 302 Beta-secretase 1 Homo sapiens 31.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413989 312528330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609110 Cc1cc(NC(=O)c2ncc(Cl)cc2C)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H18ClF3N4O2/c1-8-4-11(27-17(29)16-9(2)3-10(21)7-26-16)5-13(15(8)22)20(18(23)24)12-6-14(12)30-19(25)28-20/h3-5,7,12,14,18H,6H2,1-2H3,(H2,25,28)(H,27,29)/t12-,14+,20-/m0/s1 RYYBBXBSUHJIDG-HKMRUAMVSA-N 171669 US9085576, 303::US9611261, Example 303 Beta-secretase 1 Homo sapiens 30.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413234 312528331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609112 COc1ccc(nc1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H19F3N4O3/c1-9-5-10(26-17(28)14-4-3-11(29-2)8-25-14)6-13(16(9)21)20(18(22)23)12-7-15(12)30-19(24)27-20/h3-6,8,12,15,18H,7H2,1-2H3,(H2,24,27)(H,26,28)/t12-,15+,20-/m0/s1 DQOXNJQWKGBBDL-VHPWJVAPSA-N 171670 US9085576, 304::US9611261, Example 304 Beta-secretase 1 Homo sapiens 52.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413157 312528332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609114 COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 InChI=1S/C21H21F3N4O3/c1-9-4-11(27-18(29)17-10(2)5-12(30-3)8-26-17)6-14(16(9)22)21(19(23)24)13-7-15(13)31-20(25)28-21/h4-6,8,13,15,19H,7H2,1-3H3,(H2,25,28)(H,27,29)/t13-,15+,21-/m0/s1 CWASULQHMRBRCM-KUUHDYPXSA-N 171671 US9085576, 305::US9611261, Example 305 Beta-secretase 1 Homo sapiens 118 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413176 312528333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609116 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(F)c1 InChI=1S/C19H16F4N4O3/c1-29-9-5-13(21)15(25-7-9)16(28)26-8-2-3-12(20)10(4-8)19(17(22)23)11-6-14(11)30-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19+/m0/s1 AOZHXTNUDVESGL-GEDNVKPRSA-N 171672 US9085576, 306::US9611261, Example 306 Beta-secretase 1 Homo sapiens 41.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413331 312528334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609118 COc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H16F4N4O3/c1-29-14-4-8(20)7-25-15(14)16(28)26-9-2-3-12(21)10(5-9)19(17(22)23)11-6-13(11)30-18(24)27-19/h2-5,7,11,13,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,13+,19+/m0/s1 WNJSCEJENCDUIT-CENXUZMRSA-N 171673 US9085576, 307::US9611261, Example 307 Beta-secretase 1 Homo sapiens 413 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413662 312528335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609120 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CF)ccc1F InChI=1S/C19H15ClF4N4O2/c20-9-3-8(6-21)15(26-7-9)16(29)27-10-1-2-13(22)11(4-10)19(17(23)24)12-5-14(12)30-18(25)28-19/h1-4,7,12,14,17H,5-6H2,(H2,25,28)(H,27,29)/t12-,14+,19+/m0/s1 BUGLZMXPINWJGT-BBEJJTJUSA-N 171674 US9085576, 308::US9611261, Example 308 Beta-secretase 1 Homo sapiens 17.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412817 312528336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609122 Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-9-3-11(7-25)8-27-17(9)18(30)28-12-4-13(10(2)15(22)5-12)21(19(23)24)14-6-16(14)31-20(26)29-21/h3-5,8,14,16,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 XMKYTVKGMXULHX-CMPZQBNXSA-N 171675 US9085576, 309::US9085576, 310::US9611261, Example 310 Beta-secretase 1 Homo sapiens 74.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415723 312528337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609124 Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-9-3-11(7-25)8-27-17(9)18(30)28-12-4-13(10(2)15(22)5-12)21(19(23)24)14-6-16(14)31-20(26)29-21/h3-5,8,14,16,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 XMKYTVKGMXULHX-CMPZQBNXSA-N 171675 US9085576, 309::US9085576, 310::US9611261, Example 310 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415723 312528337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609126 Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-9-3-11(7-25)8-27-17(9)18(30)28-12-4-13(10(2)15(22)5-12)21(19(23)24)14-6-16(14)31-20(26)29-21/h3-5,8,14,16,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m1/s1 XMKYTVKGMXULHX-ZJTDPSCFSA-N 171677 US9085576, 311::US9611261, Example 311 Beta-secretase 1 Homo sapiens 46.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412238 312528338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609128 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C19H15F5N4O3/c20-12-3-1-8(27-15(29)13-4-2-9(7-26-13)30-17(23)24)5-10(12)19(16(21)22)11-6-14(11)31-18(25)28-19/h1-5,7,11,14,16-17H,6H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m0/s1 SXVKFIGMVPEDBM-GEDNVKPRSA-N 171678 US9085576, 312::US9611261, Example 312 Beta-secretase 1 Homo sapiens 37.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412358 312528339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609130 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F InChI=1S/C20H15F3N4O2/c1-2-10-3-6-15(25-9-10)17(28)26-11-4-5-14(21)12(7-11)20(18(22)23)13-8-16(13)29-19(24)27-20/h1,3-7,9,13,16,18H,8H2,(H2,24,27)(H,26,28)/t13-,16+,20+/m0/s1 UALGPGJARGXESW-GQWAEJPESA-N 171679 US9085576, 313::US9611261, Example 313 Beta-secretase 1 Homo sapiens 24.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412855 312528340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609132 CC#Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C21H17F3N4O2/c1-2-3-11-4-7-16(26-10-11)18(29)27-12-5-6-15(22)13(8-12)21(19(23)24)14-9-17(14)30-20(25)28-21/h4-8,10,14,17,19H,9H2,1H3,(H2,25,28)(H,27,29)/t14-,17+,21+/m0/s1 IZRAPOMIDFYSRC-AVBTWRTFSA-N 171680 US9085576, 314::US9611261, Example 314 Beta-secretase 1 Homo sapiens 46.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413827 312528341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609134 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m0/s1 UZKQOQQRJKLGGG-VARDARPISA-N 171681 US9085576, 315::US9611261, Example 315 Beta-secretase 1 Homo sapiens 93.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412996 312528342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609136 Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C20H17ClF5N5O3/c1-8-16(28-5-14(29-8)33-7-20(24,25)26)17(32)30-9-2-11(15(21)12(23)3-9)19(6-22)10-4-13(10)34-18(27)31-19/h2-3,5,10,13H,4,6-7H2,1H3,(H2,27,31)(H,30,32)/t10-,13+,19-/m1/s1 UZKQOQQRJKLGGG-KPGGICDASA-N 171525 US9085576, 159::US9085576, 160::US9085576, 316::US9611261, Example 316 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412894 312528193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609138 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl InChI=1S/C20H16ClF2N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(21)13(23)5-10)20(9-22)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m0/s1 IHCBQIHTSNGMPW-RPLLZPRCSA-N 171683 US9085576, 317::US9611261, Example 317 Beta-secretase 1 Homo sapiens 2.80 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413772 312528343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609140 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl InChI=1S/C20H16ClF2N5O3/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(21)13(23)5-10)20(9-22)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20-/m1/s1 IHCBQIHTSNGMPW-LQGCGHSZSA-N 171684 US9085576, 318::US9611261, Example 318 Beta-secretase 1 Homo sapiens 4070 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414468 312528344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609142 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)O[C@H]2C[C@@H]12 InChI=1S/C25H22FN5O4/c1-25(17-11-20(17)35-24(31-25)30-22(32)14-6-4-3-5-7-14)16-10-15(8-9-18(16)26)29-23(33)19-12-28-21(34-2)13-27-19/h3-10,12-13,17,20H,11H2,1-2H3,(H,29,33)(H,30,31,32)/t17-,20+,25+/m1/s1 WOKAMWLUXZKIIA-AUBMYDRESA-N 314799 US9611261, Example 319::US9611261, Example 320 Beta-secretase 1 Homo sapiens 10750 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413812 383541623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609144 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)O[C@H]2C[C@@H]12 InChI=1S/C25H22FN5O4/c1-25(17-11-20(17)35-24(31-25)30-22(32)14-6-4-3-5-7-14)16-10-15(8-9-18(16)26)29-23(33)19-12-28-21(34-2)13-27-19/h3-10,12-13,17,20H,11H2,1-2H3,(H,29,33)(H,30,31,32)/t17-,20+,25+/m1/s1 WOKAMWLUXZKIIA-AUBMYDRESA-N 314799 US9611261, Example 319::US9611261, Example 320 Beta-secretase 1 Homo sapiens 56.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413812 383541623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609146 NC1=N[C@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H13ClF3N5O2/c18-7-1-3-10(23-6-7)14(27)25-12-4-2-9(19)13(24-12)17(15(20)21)8-5-11(8)28-16(22)26-17/h1-4,6,8,11,15H,5H2,(H2,22,26)(H,24,25,27)/t8-,11+,17+/m0/s1 MZISXMZNBWUEAX-UISHXFLQSA-N 314801 US9611261, Example 321::rac N-(6-((1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-5-fluoropyridin-2-yl)-5-chloropicolinamide Beta-secretase 1 Homo sapiens 339 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126755175 383541624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609148 COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C17H17FN6O3/c1-17(8-5-11(8)27-16(19)24-17)14-9(18)3-4-12(22-14)23-15(25)10-6-21-13(26-2)7-20-10/h3-4,6-8,11H,5H2,1-2H3,(H2,19,24)(H,22,23,25)/t8-,11+,17-/m0/s1 HJJZDIBWJIBNSA-ZQOXVEAGSA-N 171692 US9085576, 322::US9611261, Example 322 Beta-secretase 1 Homo sapiens 1990 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412952 312528352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609150 COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C17H17FN6O3/c1-17(8-5-11(8)27-16(19)24-17)14-9(18)3-4-12(22-14)23-15(25)10-6-21-13(26-2)7-20-10/h3-4,6-8,11H,5H2,1-2H3,(H2,19,24)(H,22,23,25)/t8-,11+,17-/m1/s1 HJJZDIBWJIBNSA-AVDZXXLSSA-N 171693 US9085576, 323::US9611261, Example 323 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414903 312528353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609152 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15FN6O2/c1-18(10-6-13(10)27-17(21)25-18)15-11(19)3-5-14(23-15)24-16(26)12-4-2-9(7-20)8-22-12/h2-5,8,10,13H,6H2,1H3,(H2,21,25)(H,23,24,26)/t10-,13+,18-/m0/s1 KUQDHKGXFNPPOQ-PCJJGOFDSA-N 171694 US9085576, 324::US9611261, Example 324 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413734 312528354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609154 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15FN6O2/c1-18(10-6-13(10)27-17(21)25-18)15-11(19)3-5-14(23-15)24-16(26)12-4-2-9(7-20)8-22-12/h2-5,8,10,13H,6H2,1H3,(H2,21,25)(H,23,24,26)/t10-,13+,18-/m1/s1 KUQDHKGXFNPPOQ-SBOFIZKASA-N 171695 US9085576, 325::US9611261, Example 325 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414602 312528355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609156 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClFN5O2/c1-17(9-6-12(9)26-16(20)24-17)14-10(19)3-5-13(22-14)23-15(25)11-4-2-8(18)7-21-11/h2-5,7,9,12H,6H2,1H3,(H2,20,24)(H,22,23,25)/t9-,12+,17-/m0/s1 LAQCETLNRQMRPC-WUDNQAJYSA-N 171696 US9085576, 326::US9611261, Example 326 Beta-secretase 1 Homo sapiens 242 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412917 312528356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609158 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClFN5O2/c1-17(9-6-12(9)26-16(20)24-17)14-10(19)3-5-13(22-14)23-15(25)11-4-2-8(18)7-21-11/h2-5,7,9,12H,6H2,1H3,(H2,20,24)(H,22,23,25)/t9-,12+,17-/m1/s1 LAQCETLNRQMRPC-CIBPLQMKSA-N 171697 US9085576, 327::US9611261, Example 327 Beta-secretase 1 Homo sapiens 2135 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412774 312528357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609160 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H14Cl2FN5O2/c1-17(8-5-11(8)27-16(21)25-17)14-10(20)2-3-12(23-14)24-15(26)13-9(19)4-7(18)6-22-13/h2-4,6,8,11H,5H2,1H3,(H2,21,25)(H,23,24,26)/t8-,11+,17-/m0/s1 ZIDQBTKVZDTDQP-ZQOXVEAGSA-N 171698 US9085576, 328::US9611261, Example 328 Beta-secretase 1 Homo sapiens 103 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412256 312528358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609162 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C17H14Cl2FN5O2/c1-17(8-5-11(8)27-16(21)25-17)14-10(20)2-3-12(23-14)24-15(26)13-9(19)4-7(18)6-22-13/h2-4,6,8,11H,5H2,1H3,(H2,21,25)(H,23,24,26)/t8-,11+,17-/m1/s1 ZIDQBTKVZDTDQP-AVDZXXLSSA-N 171699 US9085576, 329::US9611261, Example 329 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413311 312528359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609164 NC1=N[C@@](C(F)F)([C@H]2CC2O1)c1nc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F InChI=1S/C18H13F3N6O2/c1-23-8-2-4-11(24-7-8)15(28)26-13-5-3-10(19)14(25-13)18(16(20)21)9-6-12(9)29-17(22)27-18/h2-5,7,9,12,16H,6H2,(H2,22,27)(H,25,26,28)/t9-,12?,18-/m0/s1 SGZYRTFSHSWPSV-IJGBLWQPSA-N 314810 N-(6- 9((1RS),(5S,R),(6R,S))- 3-amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-5- fluoropyridin-2-yl)-5- cyanopicolinamide::US9611261, Example 330 Beta-secretase 1 Homo sapiens 100 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106830 383541633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609166 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H13F3N6O2/c19-10-2-4-13(26-15(28)11-3-1-8(6-22)7-24-11)25-14(10)18(16(20)21)9-5-12(9)29-17(23)27-18/h1-4,7,9,12,16H,5H2,(H2,23,27)(H,25,26,28)/t9-,12+,18-/m0/s1 ZRGOEQHBRNZFOH-QSOSSPEWSA-N 314811 N-(6-((1R,5S,6R)-3- amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-5- fluoropyridin-2-yl)-5- cyanopicolinamide::US9611261, Example 331 Beta-secretase 1 Homo sapiens 26700 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401228 383541634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609168 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC2(COC2)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF3N4O2/c21-10-1-4-16(26-7-10)19(8-29-9-19)27-11-2-3-14(22)12(5-11)20(17(23)24)13-6-15(13)30-18(25)28-20/h1-5,7,13,15,17,27H,6,8-9H2,(H2,25,28)/t13-,15+,20+/m0/s1 AKKPCSZTIFERLE-XBHMSOGKSA-N 171702 US9085576, 332::US9611261, Example 332 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441943 312528361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609170 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H15ClFN5O2/c1-17(10-5-13(10)26-16(20)24-17)11-4-9(7-22-14(11)19)23-15(25)12-3-2-8(18)6-21-12/h2-4,6-7,10,13H,5H2,1H3,(H2,20,24)(H,23,25)/t10-,13+,17-/m1/s1 LFPQUTJLZYXZEW-ANTHHZPCSA-N 171703 US9085576, 333::US9085576, 335::US9611261, Example 335 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441944 312528362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609172 C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H15ClFN5O2/c1-17(10-5-13(10)26-16(20)24-17)11-4-9(7-22-14(11)19)23-15(25)12-3-2-8(18)6-21-12/h2-4,6-7,10,13H,5H2,1H3,(H2,20,24)(H,23,25)/t10-,13+,17-/m0/s1 LFPQUTJLZYXZEW-GDKCJGSASA-N 171704 US9085576, 334::US9611261, Example 334 Beta-secretase 1 Homo sapiens 94.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441945 312528363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609174 C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F InChI=1S/C17H15ClFN5O2/c1-17(10-5-13(10)26-16(20)24-17)11-4-9(7-22-14(11)19)23-15(25)12-3-2-8(18)6-21-12/h2-4,6-7,10,13H,5H2,1H3,(H2,20,24)(H,23,25)/t10-,13+,17-/m1/s1 LFPQUTJLZYXZEW-ANTHHZPCSA-N 171703 US9085576, 333::US9085576, 335::US9611261, Example 335 Beta-secretase 1 Homo sapiens 14050 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441944 312528362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609176 COc1cnc(cn1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C17H17FN6O3/c1-17(9-4-12(9)27-16(19)24-17)10-3-8(5-22-14(10)18)23-15(25)11-6-21-13(26-2)7-20-11/h3,5-7,9,12H,4H2,1-2H3,(H2,19,24)(H,23,25)/t9-,12+,17-/m1/s1 OWJZAYUEGDUKMR-CIBPLQMKSA-N 171706 US9085576, 336::US9611261, Example 336 Beta-secretase 1 Homo sapiens 436 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441946 312528364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609178 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)O[C@H]4C[C@@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21-/m1/s1 AHSUGOLUVUBUCR-LDBYXDLTSA-N 171707 US9085576, 337::US9611261, Example 337 Beta-secretase 1 Homo sapiens 3345 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90391030 312528365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609180 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21-/m0/s1 AHSUGOLUVUBUCR-XPIZARPCSA-N 171708 US9085576, 338::US9611261, Example 338 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412775 312528366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609182 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)N=C(N)O[C@H]4C[C@@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21+/m1/s1 AHSUGOLUVUBUCR-KUDFPVQQSA-N 171709 US9085576, 339::US9611261, Example 339 Beta-secretase 1 Homo sapiens 8110 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401371 312528367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609184 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 InChI=1S/C21H20FN5O2/c1-21(15-9-17(15)29-20(23)27-21)14-8-12(3-4-16(14)22)26-19-18-11(5-6-24-19)7-13(28-2)10-25-18/h3-8,10,15,17H,9H2,1-2H3,(H2,23,27)(H,24,26)/t15-,17+,21+/m0/s1 AHSUGOLUVUBUCR-LUQKVYGDSA-N 171710 US9085576, 340::US9611261, Example 340 Beta-secretase 1 Homo sapiens 506 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412776 312528368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609186 NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H15ClF3N5O/c21-10-3-9-1-2-26-18(17(9)27-7-10)28-11-4-13(16(24)14(23)5-11)20(8-22)12-6-15(12)30-19(25)29-20/h1-5,7,12,15H,6,8H2,(H2,25,29)(H,26,28)/t12-,15+,20-/m1/s1 VZDXLWUBRGHQQW-UFAGZECESA-N 314821 (1S,5S,6S)-5-(5- ((3-chloro-1,7- naphthyridin-8- yl)amino)-2,3- difluorophenyl)-5- (fluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine::US9611261, Example 341 Beta-secretase 1 Homo sapiens 3410 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441947 383541643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609188 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F InChI=1S/C20H15ClF3N5O/c21-10-3-9-1-2-26-18(17(9)27-7-10)28-11-4-13(16(24)14(23)5-11)20(8-22)12-6-15(12)30-19(25)29-20/h1-5,7,12,15H,6,8H2,(H2,25,29)(H,26,28)/t12-,15+,20-/m0/s1 VZDXLWUBRGHQQW-VHPWJVAPSA-N 171712 US9085576, 342::US9611261, Example 342 Beta-secretase 1 Homo sapiens 59.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418855 312528370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609190 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F InChI=1S/C21H15F3N6O/c22-9-21(14-5-17(14)31-20(26)30-21)13-4-11(1-2-15(13)23)29-19-18-12(16(24)8-28-19)3-10(6-25)7-27-18/h1-4,7-8,14,17H,5,9H2,(H2,26,30)(H,28,29)/t14-,17+,21+/m0/s1 OAGWAQKGDYRGIY-AVBTWRTFSA-N 171713 US9085576, 343::US9611261, Example 343 Beta-secretase 1 Homo sapiens 94.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441948 312528371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609192 COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)ncc(F)c2c1 InChI=1S/C21H18F3N5O2/c1-30-11-5-12-16(24)8-27-19(18(12)26-7-11)28-10-2-3-15(23)13(4-10)21(9-22)14-6-17(14)31-20(25)29-21/h2-5,7-8,14,17H,6,9H2,1H3,(H2,25,29)(H,27,28)/t14-,17+,21+/m0/s1 IXEXTUJLOKGNRT-AVBTWRTFSA-N 171714 US9085576, 344::US9611261, Example 344 Beta-secretase 1 Homo sapiens 430000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441951 312528372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609194 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H16ClF2N5O/c21-11-5-10-3-4-25-18(17(10)26-8-11)27-12-1-2-15(23)13(6-12)20(9-22)14-7-16(14)29-19(24)28-20/h1-6,8,14,16H,7,9H2,(H2,24,28)(H,25,27)/t14-,16+,20+/m0/s1 FUZAGURRFYNOEZ-YYFZDKIDSA-N 171715 US9085576, 345::US9611261, Example 345 Beta-secretase 1 Homo sapiens 71.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418103 312528373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609196 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C21H16F2N6O/c22-10-21(15-7-17(15)30-20(25)29-21)14-6-13(1-2-16(14)23)28-19-18-12(3-4-26-19)5-11(8-24)9-27-18/h1-6,9,15,17H,7,10H2,(H2,25,29)(H,26,28)/t15-,17+,21+/m0/s1 CXIFRVFOODUWOY-LUQKVYGDSA-N 171716 US9085576, 346::US9611261, Example 346 Beta-secretase 1 Homo sapiens 53.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413216 312528374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609198 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H15ClF2N6O/c20-9-3-14-16(24-6-9)17(26-8-25-14)27-10-1-2-13(22)11(4-10)19(7-21)12-5-15(12)29-18(23)28-19/h1-4,6,8,12,15H,5,7H2,(H2,23,28)(H,25,26,27)/t12-,15+,19+/m0/s1 FZCGYUAKQBWNBW-IOHHAYIISA-N 171717 US9085576, 347::US9611261, Example 347 Beta-secretase 1 Homo sapiens 132 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441949 312528375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609200 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)nccc2c1 InChI=1S/C21H18F3N5O2/c1-30-12-6-10-4-5-26-18(17(10)27-9-12)28-11-2-3-15(22)13(7-11)21(19(23)24)14-8-16(14)31-20(25)29-21/h2-7,9,14,16,19H,8H2,1H3,(H2,25,29)(H,26,28)/t14-,16+,21+/m0/s1 VPFIYZIAYWHRCU-CMPZQBNXSA-N 171718 US9085576, 348::US9611261, Example 348 Beta-secretase 1 Homo sapiens 456 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441952 312528376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609202 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m1/s1 SQFZDAOSJQBZRX-QTPGKHNVSA-N 171719 US9085576, 349::US9085576, 351::US9611261, Example 351 Beta-secretase 1 Homo sapiens 82.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441950 312528377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609204 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m0/s1 SQFZDAOSJQBZRX-CQURBHOASA-N 171720 US9085576, 350::US9611261, Example 352 Beta-secretase 1 Homo sapiens 31.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441955 312528378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609206 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m1/s1 SQFZDAOSJQBZRX-QTPGKHNVSA-N 171719 US9085576, 349::US9085576, 351::US9611261, Example 351 Beta-secretase 1 Homo sapiens 2815 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441950 312528377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609208 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H14ClF3N6O/c22-14-2-1-10(4-12(14)21(19(24)25)13-5-16(13)32-20(27)31-21)30-18-17-11(15(23)8-29-18)3-9(6-26)7-28-17/h1-4,7-8,13,16,19H,5H2,(H2,27,31)(H,29,30)/t13-,16+,21+/m0/s1 SQFZDAOSJQBZRX-CQURBHOASA-N 171720 US9085576, 350::US9611261, Example 352 Beta-secretase 1 Homo sapiens 39.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441955 312528378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609210 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F InChI=1S/C19H14ClF3N6O/c20-8-3-13-15(25-6-8)16(27-7-26-13)28-9-1-2-12(21)10(4-9)19(17(22)23)11-5-14(11)30-18(24)29-19/h1-4,6-7,11,14,17H,5H2,(H2,24,29)(H,26,27,28)/t11-,14+,19+/m0/s1 IIDQFKOUXAAVEJ-GEDNVKPRSA-N 171723 US9085576, 353::US9611261, Example 353 Beta-secretase 1 Homo sapiens 63.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441953 312528380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609212 COc1cnc2c(Nc3ccc(F)c(c3F)[C@]3(CF)N=C(N)O[C@H]4C[C@@H]34)nccc2n1 InChI=1S/C20H17F3N6O2/c1-30-14-7-26-17-12(27-14)4-5-25-18(17)28-11-3-2-10(22)15(16(11)23)20(8-21)9-6-13(9)31-19(24)29-20/h2-5,7,9,13H,6,8H2,1H3,(H2,24,29)(H,25,28)/t9-,13+,20-/m1/s1 BXSMSABDFNJYGN-OUWCAGMASA-N 171724 US9085576, 354::US9611261, Example 354 Beta-secretase 1 Homo sapiens 12650 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441954 312528381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609214 COc1cnc2c(Nc3ccc(F)c(c3F)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C20H17F3N6O2/c1-30-14-7-26-17-12(27-14)4-5-25-18(17)28-11-3-2-10(22)15(16(11)23)20(8-21)9-6-13(9)31-19(24)29-20/h2-5,7,9,13H,6,8H2,1H3,(H2,24,29)(H,25,28)/t9-,13+,20-/m0/s1 BXSMSABDFNJYGN-MNZWIYERSA-N 171725 US9085576, 355::US9611261, Example 355 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232917 312528382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609216 COc1cnc2c(Nc3cc(Cl)c(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C20H17ClF2N6O2/c1-30-15-7-26-17-13(28-15)2-3-25-18(17)27-9-4-11(16(23)12(21)5-9)20(8-22)10-6-14(10)31-19(24)29-20/h2-5,7,10,14H,6,8H2,1H3,(H2,24,29)(H,25,27)/t10-,14+,20-/m0/s1 AIRVVSQMKHTADB-NOPHNCEQSA-N 171726 US9085576, 356::US9611261, Example 356 Beta-secretase 1 Homo sapiens 65.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413619 312528383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609218 CC(C)Oc1cnc2c(Nc3cc(Cl)c(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 InChI=1S/C22H21ClF2N6O2/c1-10(2)32-17-8-28-19-15(30-17)3-4-27-20(19)29-11-5-13(18(25)14(23)6-11)22(9-24)12-7-16(12)33-21(26)31-22/h3-6,8,10,12,16H,7,9H2,1-2H3,(H2,26,31)(H,27,29)/t12-,16+,22-/m0/s1 KUNYBHVUTOOITE-OLZZKDKNSA-N 171727 US9085576, 357::US9611261, Example 357 Beta-secretase 1 Homo sapiens 375 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413146 312528384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609220 Cn1cc2ccnc(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)c2n1 InChI=1S/C19H17F3N6O/c1-28-8-9-4-5-24-16(15(9)27-28)25-10-2-3-13(20)11(6-10)19(17(21)22)12-7-14(12)29-18(23)26-19/h2-6,8,12,14,17H,7H2,1H3,(H2,23,26)(H,24,25)/t12-,14+,19+/m0/s1 OLXJRIWXEQEBFV-BBEJJTJUSA-N 171728 US9085576, 358::US9611261, Example 358 Beta-secretase 1 Homo sapiens 2090 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441957 312528385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609222 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1Cl InChI=1S/C20H16Cl2FN5O/c21-11-5-10-3-4-25-18(17(10)26-8-11)27-12-1-2-15(22)13(6-12)20(9-23)14-7-16(14)29-19(24)28-20/h1-6,8,14,16H,7,9H2,(H2,24,28)(H,25,27)/t14-,16+,20+/m0/s1 GARKZCAOFKZGBJ-YYFZDKIDSA-N 171729 US9085576, 359::US9611261, Example 359 Beta-secretase 1 Homo sapiens 29.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441958 312528386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609224 COc1cnc2c(Nc3ccc(Cl)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 InChI=1S/C21H19ClFN5O2/c1-29-13-6-11-4-5-25-19(18(11)26-9-13)27-12-2-3-16(22)14(7-12)21(10-23)15-8-17(15)30-20(24)28-21/h2-7,9,15,17H,8,10H2,1H3,(H2,24,28)(H,25,27)/t15-,17+,21+/m0/s1 HWWPGMWMUYILDL-LUQKVYGDSA-N 314840 (1R,5S,6R)-5-(2- chloro-5-((3- methoxy-1,7- naphthyridin-8- yl)amino)phenyl)- 5-(fluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine::US9611261, Example 360 Beta-secretase 1 Homo sapiens 1260 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441959 383541662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609226 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F InChI=1S/C20H14ClF4N5O/c21-8-3-10-14(23)7-28-17(16(10)27-6-8)29-9-1-2-13(22)11(4-9)20(18(24)25)12-5-15(12)31-19(26)30-20/h1-4,6-7,12,15,18H,5H2,(H2,26,30)(H,28,29)/t12-,15+,20+/m0/s1 VTUHOXQKXRKBSX-PGICJIBASA-N 171731 US9085576, 361::US9611261, Example 361 Beta-secretase 1 Homo sapiens 27.8 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441963 312528388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609228 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F InChI=1S/C20H15ClF3N5O/c21-10-5-9-3-4-26-17(16(9)27-8-10)28-11-1-2-14(22)12(6-11)20(18(23)24)13-7-15(13)30-19(25)29-20/h1-6,8,13,15,18H,7H2,(H2,25,29)(H,26,28)/t13-,15+,20+/m0/s1 LOYZQASPLIOLLF-XBHMSOGKSA-N 171732 US9085576, 362::US9611261, Example 362 Beta-secretase 1 Homo sapiens 33.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441964 312528389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609230 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl InChI=1S/C21H15ClF2N6O/c22-15-2-1-11(4-13(15)21(9-23)14-5-17(14)31-20(26)30-21)29-19-18-12(16(24)8-28-19)3-10(6-25)7-27-18/h1-4,7-8,14,17H,5,9H2,(H2,26,30)(H,28,29)/t14-,17+,21+/m0/s1 MMXLEVJOTFQDPO-AVBTWRTFSA-N 171733 US9085576, 363::US9611261, Example 363 Beta-secretase 1 Homo sapiens 68.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441960 312528390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609232 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)ncnc2c1 InChI=1S/C20H17F3N6O2/c1-30-10-5-14-16(25-7-10)17(27-8-26-14)28-9-2-3-13(21)11(4-9)20(18(22)23)12-6-15(12)31-19(24)29-20/h2-5,7-8,12,15,18H,6H2,1H3,(H2,24,29)(H,26,27,28)/t12-,15+,20+/m0/s1 FFBACYABQQVGMT-PGICJIBASA-N 171734 US9085576, 364::US9611261, Example 364 Beta-secretase 1 Homo sapiens 224 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441967 312528391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609234 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F InChI=1S/C20H14F6N6O/c21-11-2-1-8(5-9(11)19(17(22)23)10-6-13(10)33-18(27)32-19)30-16-15-12(3-4-28-16)31-14(7-29-15)20(24,25)26/h1-5,7,10,13,17H,6H2,(H2,27,32)(H,28,30)/t10-,13+,19+/m0/s1 VETAWZAPVXXBEP-KEVGGSHVSA-N 171735 US9085576, 365::US9611261, Example 365 Beta-secretase 1 Homo sapiens 204 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441961 312528392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609236 NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H13F5N6O/c22-13-3-9(31-18-17-10(14(23)7-30-18)1-8(5-27)6-29-17)2-12(16(13)24)21(19(25)26)11-4-15(11)33-20(28)32-21/h1-3,6-7,11,15,19H,4H2,(H2,28,32)(H,30,31)/t11-,15+,21-/m1/s1 CYDMDHAKCFPJET-VNBSIWGGSA-N 171740 US9085576, 366::US9611261, Example 366 Beta-secretase 1 Homo sapiens >13700 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401372 312528397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609238 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F InChI=1S/C21H13F5N6O/c22-13-3-9(31-18-17-10(14(23)7-30-18)1-8(5-27)6-29-17)2-12(16(13)24)21(19(25)26)11-4-15(11)33-20(28)32-21/h1-3,6-7,11,15,19H,4H2,(H2,28,32)(H,30,31)/t11-,15+,21-/m0/s1 CYDMDHAKCFPJET-OCMWWKOBSA-N 171741 US9085576, 367::US9611261, Example 367 Beta-secretase 1 Homo sapiens 51.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413556 312528398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609240 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CCC2)ccc1F InChI=1S/C17H20F3N3O/c18-13-5-4-10(22-8-9-2-1-3-9)6-11(13)17(15(19)20)12-7-14(12)24-16(21)23-17/h4-6,9,12,14-15,22H,1-3,7-8H2,(H2,21,23)/t12-,14+,17+/m0/s1 IMOZIKXHTRGGMG-DXCKQFNASA-N 171742 US9085576, 368::US9611261, Example 368 Beta-secretase 1 Homo sapiens 2740 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232920 312528399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609242 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC#Cc2ccccc2)ccc1F InChI=1S/C21H18F3N3O/c22-17-9-8-14(26-10-4-7-13-5-2-1-3-6-13)11-15(17)21(19(23)24)16-12-18(16)28-20(25)27-21/h1-3,5-6,8-9,11,16,18-19,26H,10,12H2,(H2,25,27)/t16-,18+,21+/m0/s1 GYJKAKNMSJQHRK-YRISNDGFSA-N 171743 US9085576, 369::US9611261, Example 369 Beta-secretase 1 Homo sapiens 6635 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414687 312528400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609244 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)c2ccc(Cl)cc2)ccc1F InChI=1S/C22H21ClF3N3O/c23-13-3-1-12(2-4-13)21(7-8-21)11-28-14-5-6-17(24)15(9-14)22(19(25)26)16-10-18(16)30-20(27)29-22/h1-6,9,16,18-19,28H,7-8,10-11H2,(H2,27,29)/t16-,18+,22+/m0/s1 SXNZDNAXNDWVBG-AQOAWAETSA-N 171744 US9085576, 370::US9611261, Example 370 Beta-secretase 1 Homo sapiens 13650 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441966 312528401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609246 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC[C@@H]2C[C@H]2c2ccccc2)ccc1F InChI=1S/C22H22F3N3O/c23-18-7-6-14(27-11-13-8-15(13)12-4-2-1-3-5-12)9-16(18)22(20(24)25)17-10-19(17)29-21(26)28-22/h1-7,9,13,15,17,19-20,27H,8,10-11H2,(H2,26,28)/t13-,15-,17-,19+,22+/m0/s1 LXUQPRSGZIRWPM-FECXXQJTSA-N 171745 US9085576, 371::US9611261, Example 371 Beta-secretase 1 Homo sapiens 11160 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441968 312528402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609248 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC[C@H]2C[C@H]2c2ccccc2)ccc1F InChI=1S/C22H22F3N3O/c23-18-7-6-14(27-11-13-8-15(13)12-4-2-1-3-5-12)9-16(18)22(20(24)25)17-10-19(17)29-21(26)28-22/h1-7,9,13,15,17,19-20,27H,8,10-11H2,(H2,26,28)/t13-,15+,17+,19-,22-/m1/s1 LXUQPRSGZIRWPM-KTPWHWSHSA-N 171746 US9085576, 372::US9611261, Example 372 Beta-secretase 1 Homo sapiens 9415 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441974 312528403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609250 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H16ClF4N5O/c18-11-6-27(15(21)22)26-13(11)5-24-8-1-2-12(20)9(3-8)17(7-19)10-4-14(10)28-16(23)25-17/h1-3,6,10,14-15,24H,4-5,7H2,(H2,23,25)/t10-,14+,17+/m0/s1 KMTJPQQMWNENRF-NCAQKEMTSA-N 171747 US9085576, 373::US9611261, Example 373 Beta-secretase 1 Homo sapiens 159 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441969 312528404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609252 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H15ClF5N5O/c18-10-6-28(15(22)23)27-12(10)5-25-7-1-2-11(19)8(3-7)17(14(20)21)9-4-13(9)29-16(24)26-17/h1-3,6,9,13-15,25H,4-5H2,(H2,24,26)/t9-,13+,17+/m0/s1 LBZXMAYIHGTAKB-VNQQYTOKSA-N 171748 US9085576, 374::US9611261, Example 374 Beta-secretase 1 Homo sapiens 95.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441975 312528405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609254 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC(=C)C2)ccc1F InChI=1S/C18H20F3N3O/c1-9-4-10(5-9)8-23-11-2-3-14(19)12(6-11)18(16(20)21)13-7-15(13)25-17(22)24-18/h2-3,6,10,13,15-16,23H,1,4-5,7-8H2,(H2,22,24)/t13-,15+,18+/m0/s1 HBTHVDASSXYJDR-JCKWVBRZSA-N 171749 US9085576, 375::US9611261, Example 375 Beta-secretase 1 Homo sapiens 5995 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441970 312528406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609256 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)C(F)(F)F)ccc1F InChI=1S/C17H17F6N3O/c18-11-2-1-8(25-7-15(3-4-15)17(21,22)23)5-9(11)16(13(19)20)10-6-12(10)27-14(24)26-16/h1-2,5,10,12-13,25H,3-4,6-7H2,(H2,24,26)/t10-,12+,16+/m0/s1 FVRKAMWQOVYFOD-KANYHAFZSA-N 171750 US9085576, 376::US9611261, Example 376 Beta-secretase 1 Homo sapiens 2100 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441973 312528407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609258 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCc2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O/c19-9-1-2-11(24-7-9)8-25-10-3-4-14(20)12(5-10)18(16(21)22)13-6-15(13)27-17(23)26-18/h1-5,7,13,15-16,25H,6,8H2,(H2,23,26)/t13-,15+,18+/m0/s1 SBYSXUHBXCZGCH-JCKWVBRZSA-N 171751 US9085576, 377::US9611261, Example 377 Beta-secretase 1 Homo sapiens 2845 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232935 312528408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609260 C[C@@H](Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cn1 InChI=1S/C19H18ClF3N4O/c1-9(15-5-2-10(20)8-25-15)26-11-3-4-14(21)12(6-11)19(17(22)23)13-7-16(13)28-18(24)27-19/h2-6,8-9,13,16-17,26H,7H2,1H3,(H2,24,27)/t9-,13+,16-,19-/m1/s1 URMHMSCMGWZVRD-WCSJZASUSA-N 171752 US9085576, 378::US9611261, Example 378 Beta-secretase 1 Homo sapiens 13850 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413328 312528409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609262 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC2)ccc1F InChI=1S/C16H18F3N3O/c17-12-4-3-9(21-7-8-1-2-8)5-10(12)16(14(18)19)11-6-13(11)23-15(20)22-16/h3-5,8,11,13-14,21H,1-2,6-7H2,(H2,20,22)/t11-,13+,16+/m0/s1 FEZOKDYDXFLFHJ-NORZTCDRSA-N 171753 US9085576, 379::US9611261, Example 379 Beta-secretase 1 Homo sapiens 1410 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414259 312528410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609264 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(Br)cnc23)ccc1F InChI=1S/C20H18BrF3N4O/c21-10-5-9-1-4-15(17(9)26-8-10)27-11-2-3-14(22)12(6-11)20(18(23)24)13-7-16(13)29-19(25)28-20/h2-3,5-6,8,13,15-16,18,27H,1,4,7H2,(H2,25,28)/t13-,15+,16+,20+/m0/s1 OANSAWVWHAEMIE-NOUYOMCBSA-N 314860 (1R,5S,6R)-5-(5-(((R)- 3-bromo-6,7-dihydro- 5H- cyclopenta[b]pyridin- 7-yl)amino)-2- fluorophenyl)-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine or (1R,5S,6R)-5-(5-(((S)- 3-bromo-6,7-dihydro- 5H- cyclopenta[b]pyridin- 7-yl)amino)-2- fluorophenyl)-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine::US9611261, Example 380::US9611261, Example 381 Beta-secretase 1 Homo sapiens 143 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413379 383541680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609266 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(Br)cnc23)ccc1F InChI=1S/C20H18BrF3N4O/c21-10-5-9-1-4-15(17(9)26-8-10)27-11-2-3-14(22)12(6-11)20(18(23)24)13-7-16(13)29-19(25)28-20/h2-3,5-6,8,13,15-16,18,27H,1,4,7H2,(H2,25,28)/t13-,15+,16+,20+/m0/s1 OANSAWVWHAEMIE-NOUYOMCBSA-N 314860 (1R,5S,6R)-5-(5-(((R)- 3-bromo-6,7-dihydro- 5H- cyclopenta[b]pyridin- 7-yl)amino)-2- fluorophenyl)-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine or (1R,5S,6R)-5-(5-(((S)- 3-bromo-6,7-dihydro- 5H- cyclopenta[b]pyridin- 7-yl)amino)-2- fluorophenyl)-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine::US9611261, Example 380::US9611261, Example 381 Beta-secretase 1 Homo sapiens 3445 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314860&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413379 383541680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609268 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F InChI=1S/C21H20BrF3N4O/c22-11-6-10-2-1-3-16(18(10)27-9-11)28-12-4-5-15(23)13(7-12)21(19(24)25)14-8-17(14)30-20(26)29-21/h4-7,9,14,16-17,19,28H,1-3,8H2,(H2,26,29)/t14-,16-,17+,21+/m0/s1 MRKDFUXEARNASF-JKXYVKTPSA-N 171756 US9085576, 382::US9611261, Example 382 Beta-secretase 1 Homo sapiens 3070 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414728 312528412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609270 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCOc3cc(ccc23)C#N)ccc1F InChI=1S/C22H19F3N4O2/c23-16-4-2-12(28-17-5-6-30-18-7-11(10-26)1-3-13(17)18)8-14(16)22(20(24)25)15-9-19(15)31-21(27)29-22/h1-4,7-8,15,17,19-20,28H,5-6,9H2,(H2,27,29)/t15-,17-,19+,22+/m0/s1 ZIIUMVXGHNYTEX-RNCHUUSHSA-N 314863 (R)-4-((3-((1R,5S,6R)- 3-amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)amino) chroman-7-carbonitrile and (S)-4-((3- ((1R,5S,6R)-3-amino- 5-(difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)amino) chroman-7-carbonitrile::US9611261, Example 383 Beta-secretase 1 Homo sapiens 968 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414600 383541682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609272 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(Br)ccc23)ccc1F InChI=1S/C21H19BrF3N3O/c22-11-2-4-13-10(7-11)1-6-17(13)27-12-3-5-16(23)14(8-12)21(19(24)25)15-9-18(15)29-20(26)28-21/h2-5,7-8,15,17-19,27H,1,6,9H2,(H2,26,28)/t15-,17-,18+,21+/m0/s1 GONJLOPRGIEGPW-DZKDUJFISA-N 314864 (1R,5S,6R)-5-(5-(((R)- 5-bromo-2,3-dihydro- 1H-inden-1-yl)amino)- 2-fluorophenyl)-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine and (1R,5S,6R)-5-(5-(((S)- 5-bromo-2,3-dihydro- 1H-inden-1-yl)amino)- 2-fluorophenyl)-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-3-amine::US9611261, Example 384 Beta-secretase 1 Homo sapiens 315 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413263 383541683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609274 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2coc3cc(Cl)cnc23)ccc1F InChI=1S/C19H14ClF3N4O2/c20-8-3-15-16(25-6-8)13(7-28-15)26-9-1-2-12(21)10(4-9)19(17(22)23)11-5-14(11)29-18(24)27-19/h1-4,6-7,11,14,17,26H,5H2,(H2,24,27)/t11-,14+,19+/m0/s1 GSRKJEWQKJYNGF-GEDNVKPRSA-N 314865 N-(3-((1R,5S,6R)-3- amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)-6- chlorofuro[3,2- b]pyridin-3-amine::US9611261, Example 385 Beta-secretase 1 Homo sapiens 253 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412944 383541684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609276 COCc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C21H19ClFN5O3/c1-30-9-12-4-11(7-24)8-26-18(12)19(29)27-13-2-3-16(22)14(5-13)21(10-23)15-6-17(15)31-20(25)28-21/h2-5,8,15,17H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t15-,17+,21+/m0/s1 BLGCBNUPTOZJEI-LUQKVYGDSA-N 171760 US9085576, 386::US9611261, Example 386 Beta-secretase 1 Homo sapiens 25.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414103 312528416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609278 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2CO)C#N)ccc1Cl InChI=1S/C20H17ClFN5O3/c21-15-2-1-12(26-18(29)17-11(8-28)3-10(6-23)7-25-17)4-13(15)20(9-22)14-5-16(14)30-19(24)27-20/h1-4,7,14,16,28H,5,8-9H2,(H2,24,27)(H,26,29)/t14-,16+,20+/m0/s1 ARSMQLBXAZNREZ-YYFZDKIDSA-N 171761 US9085576, 387::US9611261, Example 387 Beta-secretase 1 Homo sapiens 39.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415711 312528417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609280 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F InChI=1S/C19H13F4N5O2/c20-12-2-1-9(27-16(29)15-13(21)3-8(6-24)7-26-15)4-10(12)19(17(22)23)11-5-14(11)30-18(25)28-19/h1-4,7,11,14,17H,5H2,(H2,25,28)(H,27,29)/t11-,14+,19+/m0/s1 ACMNQBSTEIFJRZ-GEDNVKPRSA-N 171762 US9085576, 388::US9611261, Example 388 Beta-secretase 1 Homo sapiens 35.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412500 312528418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609282 CN(C)c1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H19F3N6O2/c1-30(2)15-5-10(8-25)9-27-17(15)18(31)28-11-3-4-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(26)29-21/h3-6,9,13,16,19H,7H2,1-2H3,(H2,26,29)(H,28,31)/t13-,16+,21+/m0/s1 CTXHGUNUOFMKFA-CQURBHOASA-N 171763 US9085576, 389::US9611261, Example 389 Beta-secretase 1 Homo sapiens 91.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413017 312528419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609284 Cc1cc(NC(=O)c2ccc(cn2)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H16F3N5O2/c1-9-4-11(27-17(29)14-3-2-10(7-24)8-26-14)5-13(16(9)21)20(18(22)23)12-6-15(12)30-19(25)28-20/h2-5,8,12,15,18H,6H2,1H3,(H2,25,28)(H,27,29)/t12-,15+,20-/m0/s1 XMOMFAKQVCWDSI-VHPWJVAPSA-N 171764 US9085576, 390::US9611261, Example 390 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415337 312528420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609286 COCc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O3/c1-31-9-11-4-10(7-25)8-27-17(11)18(30)28-12-2-3-15(22)13(5-12)21(19(23)24)14-6-16(14)32-20(26)29-21/h2-5,8,14,16,19H,6,9H2,1H3,(H2,26,29)(H,28,30)/t14-,16+,21+/m0/s1 FRWRCZUTKLUTCA-CMPZQBNXSA-N 171765 US9085576, 391::US9611261, Example 391 Beta-secretase 1 Homo sapiens 11.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85468944 312528421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609288 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F InChI=1S/C20H15F2N7O/c21-8-20(13-5-16(13)30-19(24)29-20)12-4-11(1-2-14(12)22)28-18-17-15(26-9-27-18)3-10(6-23)7-25-17/h1-4,7,9,13,16H,5,8H2,(H2,24,29)(H,26,27,28)/t13-,16+,20+/m0/s1 FBLBMOXRAUBKNM-GQWAEJPESA-N 171767 US9085576, 393::US9611261, Example 393 Beta-secretase 1 Homo sapiens 198 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418607 312528422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609290 CC(C)c1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C22H20F3N5O2/c1-10(2)13-5-11(8-26)9-28-18(13)19(31)29-12-3-4-16(23)14(6-12)22(20(24)25)15-7-17(15)32-21(27)30-22/h3-6,9-10,15,17,20H,7H2,1-2H3,(H2,27,30)(H,29,31)/t15-,17+,22+/m0/s1 HEVIYSQQEXXNKV-LBUQITIBSA-N 171768 US9085576, 394::US9611261, Example 394 Beta-secretase 1 Homo sapiens 134 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413042 312528423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609292 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F InChI=1S/C20H14F5N5O2/c21-13-2-1-9(29-17(31)15-10(16(22)23)3-8(6-26)7-28-15)4-11(13)20(18(24)25)12-5-14(12)32-19(27)30-20/h1-4,7,12,14,16,18H,5H2,(H2,27,30)(H,29,31)/t12-,14+,20+/m0/s1 SBQBGLAUJCFWAC-KBARZSOFSA-N 171769 US9085576, 395::US9611261, Example 395 Beta-secretase 1 Homo sapiens 14.4 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441979 312528424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609294 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2CO)C#N)ccc1F InChI=1S/C20H16F3N5O3/c21-14-2-1-11(27-17(30)16-10(8-29)3-9(6-24)7-26-16)4-12(14)20(18(22)23)13-5-15(13)31-19(25)28-20/h1-4,7,13,15,18,29H,5,8H2,(H2,25,28)(H,27,30)/t13-,15+,20+/m0/s1 ADHBNWBXFLWOBM-XBHMSOGKSA-N 171770 US9085576, 396::US9611261, Example 396 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411892 312528425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609296 COc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N InChI=1S/C20H17ClFN5O3/c1-29-16-4-10(7-23)8-25-17(16)18(28)26-11-2-3-14(21)12(5-11)20(9-22)13-6-15(13)30-19(24)27-20/h2-5,8,13,15H,6,9H2,1H3,(H2,24,27)(H,26,28)/t13-,15+,20+/m0/s1 PFLFWUIUEDSAPS-XBHMSOGKSA-N 171771 US9085576, 397::US9611261, Example 397 Beta-secretase 1 Homo sapiens 81.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414789 312528426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609298 Cc1cc(NC(=O)c2ncc(cc2F)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H15F4N5O2/c1-8-2-10(28-17(30)16-13(21)3-9(6-25)7-27-16)4-12(15(8)22)20(18(23)24)11-5-14(11)31-19(26)29-20/h2-4,7,11,14,18H,5H2,1H3,(H2,26,29)(H,28,30)/t11-,14+,20-/m0/s1 ZTOCLLOTNFZANZ-CJAGKMTESA-N 171772 US9085576, 398::US9611261, Example 398 Beta-secretase 1 Homo sapiens 33.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412624 312528427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609300 COc1cc(cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N InChI=1S/C21H18F3N5O3/c1-9-3-11(28-18(30)17-15(31-2)4-10(7-25)8-27-17)5-13(16(9)22)21(19(23)24)12-6-14(12)32-20(26)29-21/h3-5,8,12,14,19H,6H2,1-2H3,(H2,26,29)(H,28,30)/t12-,14+,21-/m0/s1 XUJMAOPOLASZII-UPBLURMWSA-N 171773 US9085576, 399::US9611261, Example 399 Beta-secretase 1 Homo sapiens 70.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412337 312528428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609302 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F3N5O/c22-15-3-2-12(28-16-4-1-11-5-10(8-25)9-27-18(11)16)6-13(15)21(19(23)24)14-7-17(14)30-20(26)29-21/h2-3,5-6,9,14,16-17,19,28H,1,4,7H2,(H2,26,29)/t14-,16+,17+,21+/m0/s1 PWVNMXMCCBDBCO-CTRXZIQJSA-N 171779 US9085576, 404::US9611261, Example 401 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401359 312528433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609304 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC2CCc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F3N5O/c22-15-3-2-12(28-16-4-1-11-5-10(8-25)9-27-18(11)16)6-13(15)21(19(23)24)14-7-17(14)30-20(26)29-21/h2-3,5-6,9,14,16-17,19,28H,1,4,7H2,(H2,26,29)/t14-,16?,17+,21+/m0/s1 PWVNMXMCCBDBCO-KOGSCNENSA-N 314880 (S)-7-((3-((1R,5S,6R)- 3-amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)amino)- 6,7-dihydro-5H- cyclopenta[b]pyridine- 3-carbonitrile (Example 365)::US9611261, Example 402 Beta-secretase 1 Homo sapiens 976 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414651 383541699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609306 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCCc3cc(cnc23)C#N)ccc1F InChI=1S/C22H20F3N5O/c23-16-5-4-13(29-17-3-1-2-12-6-11(9-26)10-28-19(12)17)7-14(16)22(20(24)25)15-8-18(15)31-21(27)30-22/h4-7,10,15,17-18,20,29H,1-3,8H2,(H2,27,30)/t15-,17-,18+,22+/m0/s1 VCEFWDCBOOSZMH-CTWQGKMFSA-N 314881 (R)-8-((3-((1R,5S,6R)- 3-amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)amino)- 5,6,7,8- tetrahydroquinoline-3- carbonitrile and (S)-8- ((3-((1R,5S,6R)-3- amino-5- (difluoromethyl)-2- oxa-4- azabicyclo[4.1.0]hept- 3-en-5-yl)-4- fluorophenyl)amino)- 5,6,7,8- tetrahydroquinoline-3- carbonitrile::US9611261, Example 403 Beta-secretase 1 Homo sapiens 2855 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413398 383541700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609308 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(cnc23)C#N)ccc1F InChI=1S/C21H18F3N5O/c22-15-3-2-12(28-16-4-1-11-5-10(8-25)9-27-18(11)16)6-13(15)21(19(23)24)14-7-17(14)30-20(26)29-21/h2-3,5-6,9,14,16-17,19,28H,1,4,7H2,(H2,26,29)/t14-,16-,17+,21+/m0/s1 PWVNMXMCCBDBCO-JKXYVKTPSA-N 171777 US9085576, 402::US9611261, Example 404 Beta-secretase 1 Homo sapiens 291 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414650 312528431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609310 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C23H19F3N4O2/c24-17-7-6-14(9-15(17)23(21(25)26)16-10-19(16)32-22(27)30-23)29-20(31)18-8-5-13(11-28-18)4-3-12-1-2-12/h5-9,11-12,16,19,21H,1-2,10H2,(H2,27,30)(H,29,31)/t16-,19+,23+/m0/s1 LQVCSSUYGWAQCN-XKDCRVNJSA-N 171780 US9085576, 405::US9611261, Example 405 Beta-secretase 1 Homo sapiens 23.7 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413279 312528434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609312 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H20F3N5O/c26-19-6-5-16(10-17(19)25(23(27)28)18-11-20(18)34-24(29)33-25)32-22-21-15(7-8-30-22)9-14(12-31-21)4-3-13-1-2-13/h5-10,12-13,18,20,23H,1-2,11H2,(H2,29,33)(H,30,32)/t18-,20+,25+/m0/s1 KCZXXIWSMZBSBG-DMJCMNNJSA-N 171781 US9085576, 406::US9611261, Example 406 Beta-secretase 1 Homo sapiens 75.9 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413352 312528435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609314 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C22H18F3N5O2/c23-16-6-5-12(7-14(16)22(20(24)25)15-8-18(15)32-21(26)30-22)29-19(31)17-10-27-13(9-28-17)4-3-11-1-2-11/h5-7,9-11,15,18,20H,1-2,8H2,(H2,26,30)(H,29,31)/t15-,18+,22+/m0/s1 GBSYDTRRDYKGMY-QXATTWAWSA-N 171782 US9085576, 407::US9611261, Example 407 Beta-secretase 1 Homo sapiens 29.6 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413025 312528436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609316 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#CC2CC2)ccc1F InChI=1S/C25H19F4N5O/c26-18-6-5-14(8-16(18)25(23(28)29)17-9-20(17)35-24(30)34-25)33-22-21-15(19(27)11-32-22)7-13(10-31-21)4-3-12-1-2-12/h5-8,10-12,17,20,23H,1-2,9H2,(H2,30,34)(H,32,33)/t17-,20+,25+/m0/s1 RVWGWAZRTMUMPL-WVFSIPRWSA-N 171783 US9085576, 408::US9611261, Example 408 Beta-secretase 1 Homo sapiens 46.3 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413254 312528437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609318 CC1(COC1)C#Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C24H21F3N4O3/c1-23(11-33-12-23)7-6-13-2-5-18(29-10-13)20(32)30-14-3-4-17(25)15(8-14)24(21(26)27)16-9-19(16)34-22(28)31-24/h2-5,8,10,16,19,21H,9,11-12H2,1H3,(H2,28,31)(H,30,32)/t16-,19+,24+/m0/s1 CTSPAIGCGPZRMT-LSRZYVKLSA-N 171784 US9085576, 409::US9611261, Example 409 Beta-secretase 1 Homo sapiens 327 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90417761 312528438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609320 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(CCC#CC3CC3)cn2)ccc1F InChI=1S/C24H22F3N5O2/c25-18-8-7-14(9-16(18)24(22(26)27)17-10-20(17)34-23(28)32-24)31-21(33)19-12-29-15(11-30-19)4-2-1-3-13-5-6-13/h7-9,11-13,17,20,22H,2,4-6,10H2,(H2,28,32)(H,31,33)/t17-,20+,24+/m0/s1 CXUPBTMUQGUGAD-WPSZSDGUSA-N 314888 N-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-((3-cyclopropylprop-2-yn-1-yl)oxy)pyrazine-2-carboxamide ::US9611261, Example 411 Beta-secretase 1 Homo sapiens 7.60 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126755366 383541707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609322 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCOCC3)cn2)ccc1F InChI=1S/C23H24F3N5O4/c24-16-2-1-13(7-14(16)23(21(25)26)15-8-18(15)35-22(27)31-23)30-20(32)17-9-29-19(10-28-17)34-11-12-3-5-33-6-4-12/h1-2,7,9-10,12,15,18,21H,3-6,8,11H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1 LABLWWZXLRYFFH-TUVUNVSASA-N 171787 US9085576, 412::US9611261, Example 412 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413156 312528440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609324 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCOC3)cn2)ccc1F InChI=1S/C22H22F3N5O4/c23-15-2-1-12(5-13(15)22(20(24)25)14-6-17(14)34-21(26)30-22)29-19(31)16-7-28-18(8-27-16)33-10-11-3-4-32-9-11/h1-2,5,7-8,11,14,17,20H,3-4,6,9-10H2,(H2,26,30)(H,29,31)/t11?,14-,17+,22+/m0/s1 XWQLHWXUPYZIOB-RPKGZOSKSA-N 171788 US9085576, 413::US9611261, Example 413 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118359398 312528441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609326 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC=C)cn2)ccc1F InChI=1S/C20H18F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h2-4,6,8-9,12,15,18H,1,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1 XAFGLGFUYWBSKZ-PGICJIBASA-N 171789 US9085576, 414::US9611261, Example 414 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90418556 312528442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609328 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C21H20F3N5O3/c22-14-4-3-11(5-12(14)21(19(23)24)13-6-16(13)32-20(25)29-21)28-18(30)15-7-27-17(8-26-15)31-9-10-1-2-10/h3-5,7-8,10,13,16,19H,1-2,6,9H2,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1 FIBUECHFKPACDU-CQURBHOASA-N 171790 US9085576, 415::US9611261, Example 415 Beta-secretase 1 Homo sapiens 43.0 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412660 312528443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609330 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCCCC3)cn2)ccc1F InChI=1S/C24H26F3N5O3/c25-17-7-6-14(8-15(17)24(22(26)27)16-9-19(16)35-23(28)32-24)31-21(33)18-10-30-20(11-29-18)34-12-13-4-2-1-3-5-13/h6-8,10-11,13,16,19,22H,1-5,9,12H2,(H2,28,32)(H,31,33)/t16-,19+,24+/m0/s1 NUUPKCHRHGMYQJ-LSRZYVKLSA-N 171791 US9085576, 416::US9611261, Example 416 Beta-secretase 1 Homo sapiens 12.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413838 312528444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609332 CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H18F3N5O3/c1-2-29-15-8-24-13(7-25-15)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-14(11)30-18(23)27-19/h3-5,7-8,11,14,17H,2,6H2,1H3,(H2,23,27)(H,26,28)/t11-,14+,19+/m0/s1 AYUPPZKCXHKHGY-GEDNVKPRSA-N 171792 US9085576, 417::US9611261, Example 417 Beta-secretase 1 Homo sapiens 115 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90415602 312528445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609334 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCCC3)cn2)ccc1F InChI=1S/C23H24F3N5O3/c24-16-6-5-13(7-14(16)23(21(25)26)15-8-18(15)34-22(27)31-23)30-20(32)17-9-29-19(10-28-17)33-11-12-3-1-2-4-12/h5-7,9-10,12,15,18,21H,1-4,8,11H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1 JAYZFXNOCKMFGQ-TUVUNVSASA-N 171793 US9085576, 418::US9611261, Example 418 Beta-secretase 1 Homo sapiens 26.1 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412704 312528446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609336 OCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=[C-]O[C@@H]2C[C@H]12)C(F)F InChI=1S/C19H14ClF3N3O3/c20-10-3-9(7-27)16(24-6-10)17(28)26-11-1-2-14(21)12(4-11)19(18(22)23)13-5-15(13)29-8-25-19/h1-4,6,13,15,18,27H,5,7H2,(H,26,28)/q-1/t13-,15+,19+/m0/s1 WPOFMFMADFWALY-ZBQZNYHESA-N 314896 N-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo-[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-chloro-3-(hydroxymethyl)picolinamide::US9611261, Example 419 Beta-secretase 1 Homo sapiens 33.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138106831 383541715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609338 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CO)ccc1Cl InChI=1S/C19H17Cl2FN4O3/c20-10-3-9(7-27)16(24-6-10)17(28)25-11-1-2-14(21)12(4-11)19(8-22)13-5-15(13)29-18(23)26-19/h1-4,6,13,15,27H,5,7-8H2,(H2,23,26)(H,25,28)/t13-,15+,19+/m0/s1 CZXRKTLWYZEHFO-ZBQZNYHESA-N 171795 US9085576, 420::US9611261, Example 420 Beta-secretase 1 Homo sapiens 51.5 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413150 312528448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609340 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NS(=O)(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClF3N4O3S/c18-8-1-4-14(23-7-8)29(26,27)25-9-2-3-12(19)10(5-9)17(15(20)21)11-6-13(11)28-16(22)24-17/h1-5,7,11,13,15,25H,6H2,(H2,22,24)/t11-,13+,17+/m0/s1 IELPNUBNHREWFS-XTQGRXLLSA-N 171796 US9085576, 421::US9611261, Example 421 Beta-secretase 1 Homo sapiens 14150 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401360 312528449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609342 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H](c2ccc(Cl)cn2)C(F)(F)F)ccc1F InChI=1S/C19H15ClF6N4O/c20-8-1-4-13(28-7-8)15(19(24,25)26)29-9-2-3-12(21)10(5-9)18(16(22)23)11-6-14(11)31-17(27)30-18/h1-5,7,11,14-16,29H,6H2,(H2,27,30)/t11-,14+,15+,18+/m0/s1 PVBRUYSYBPCAJO-WMNQNFFBSA-N 171797 US9085576, 422::US9611261, Example 422 Beta-secretase 1 Homo sapiens 5245 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401361 312528450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609344 FC[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(Br)ccc1Cl InChI=1S/C19H15BrClFN2O2/c20-12-6-7-15(21)13(8-12)19(10-22)14-9-16(14)26-18(24-19)23-17(25)11-4-2-1-3-5-11/h1-8,14,16H,9-10H2,(H,23,24,25)/t14-,16+,19+/m0/s1 FUTIPQFMRMIGDD-ZSZQSSIHSA-N 314900 US9611261, Example 423 Beta-secretase 1 Homo sapiens 396 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441984 383541719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609346 CS(=O)(=O)c1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C19H17ClF2N4O4S/c1-31(28,29)16-12(19(8-21)11-6-15(11)30-18(23)26-19)4-10(5-13(16)22)25-17(27)14-3-2-9(20)7-24-14/h2-5,7,11,15H,6,8H2,1H3,(H2,23,26)(H,25,27)/t11-,15+,19-/m0/s1 RFUKQPXMWFDGCT-CQOVVYFZSA-N 171799 US9085576, 424::US9611261, Example 424 Beta-secretase 1 Homo sapiens 1035 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118796792 312528452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609348 FC(F)[C@]1(N=C(NC(=O)c2ccccc2)O[C@H]2C[C@@H]12)c1cc(Br)ccc1F InChI=1S/C19H14BrF3N2O2/c20-11-6-7-14(21)12(8-11)19(17(22)23)13-9-15(13)27-18(25-19)24-16(26)10-4-2-1-3-5-10/h1-8,13,15,17H,9H2,(H,24,25,26)/t13-,15+,19+/m1/s1 JMUDSFIGGGMPSC-WTANOLMUSA-N 314902 US9611261, Example 425 Beta-secretase 1 Homo sapiens 613 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411896 383541721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609350 FC(F)[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(Br)ccc1F InChI=1S/C19H14BrF3N2O2/c20-11-6-7-14(21)12(8-11)19(17(22)23)13-9-15(13)27-18(25-19)24-16(26)10-4-2-1-3-5-10/h1-8,13,15,17H,9H2,(H,24,25,26)/t13-,15+,19+/m0/s1 JMUDSFIGGGMPSC-ZBQZNYHESA-N 314903 US9611261, Example 426 Beta-secretase 1 Homo sapiens 1236 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401330 383541722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609352 COC[C@H](C)NC(=O)c1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C17H20F3N3O3/c1-8(7-25-2)22-14(24)9-3-4-12(18)10(5-9)17(15(19)20)11-6-13(11)26-16(21)23-17/h3-5,8,11,13,15H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t8-,11+,13-,17-/m0/s1 ANIGUUQHMJMCED-MMMFPXGYSA-N 171802 US9085576, 427::US9611261, Example 427 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414773 312528455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609354 COC[C@H](C)NC(=O)c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C17H20F3N3O3/c1-8(7-25-2)22-14(24)9-3-4-12(18)10(5-9)17(15(19)20)11-6-13(11)26-16(21)23-17/h3-5,8,11,13,15H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t8-,11-,13+,17+/m0/s1 ANIGUUQHMJMCED-YHFRSODSSA-N 171803 US9085576, 428::US9611261, Example 428 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413180 312528456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609356 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C20H16F3N3O/c1-2-3-11-6-13(10-25-9-11)12-4-5-16(21)14(7-12)20(18(22)23)15-8-17(15)27-19(24)26-20/h4-7,9-10,15,17-18H,8H2,1H3,(H2,24,26)/t15-,17+,20+/m0/s1 PYKIYRAPQBZWOP-XAUMDUMWSA-N 171804 US9085576, 429::US9085576, 431::US9611261, Example 429 Beta-secretase 1 Homo sapiens 1048 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413015 312528457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609358 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C20H16F3N3O/c1-2-3-11-6-13(10-25-9-11)12-4-5-16(21)14(7-12)20(18(22)23)15-8-17(15)27-19(24)26-20/h4-7,9-10,15,17-18H,8H2,1H3,(H2,24,26)/t15-,17+,20+/m1/s1 PYKIYRAPQBZWOP-SYNHAJSKSA-N 171805 US9085576, 430::US9611261, Example 430 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441988 312528458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609360 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C20H17F2N3O/c1-2-3-12-6-14(10-24-9-12)13-4-5-17(22)15(7-13)20(11-21)16-8-18(16)26-19(23)25-20/h4-7,9-10,16,18H,8,11H2,1H3,(H2,23,25)/t16-,18+,20+/m0/s1 GFSNHHHRYPIKNB-ILZDJORESA-N 314908 US9611261, Example 431 Beta-secretase 1 Homo sapiens 4685 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118359399 383541727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609362 COc1ccc(COCc2cc(F)c(cc2-c2cncc(c2)C#CC)[C@@]2(CF)N=C(N)OC3C[C@H]23)cc1 InChI=1S/C29H27F2N3O3/c1-3-4-19-9-20(14-33-13-19)23-11-24(29(17-30)25-12-27(25)37-28(32)34-29)26(31)10-21(23)16-36-15-18-5-7-22(35-2)8-6-18/h5-11,13-14,25,27H,12,15-17H2,1-2H3,(H2,32,34)/t25-,27?,29+/m0/s1 KIUHNWVXZSSYIM-NTMAVVCTSA-N 314909 US9611261, Example 432 Beta-secretase 1 Homo sapiens 33135 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441990 383541728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609364 CC(C)(C)OC(=O)N=C1OC2C[C@@H]2[C@](CF)(N1C(=O)OC(C)(C)C)c1cc(c(CO)cc1F)-c1cncc(F)c1 InChI=1S/C28H32F3N3O6/c1-26(2,3)39-24(36)33-23-34(25(37)40-27(4,5)6)28(14-29,20-10-22(20)38-23)19-9-18(16(13-35)8-21(19)31)15-7-17(30)12-32-11-15/h7-9,11-12,20,22,35H,10,13-14H2,1-6H3/t20-,22?,28+/m0/s1 ZKLLMSNTAGDKQC-UGYPVHLDSA-N 314910 US9611261, Example 433 Beta-secretase 1 Homo sapiens 23099 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 123172634 383541729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609366 CC#Cc1cnn(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H15F3N4O/c1-2-3-10-8-23-25(9-10)11-4-5-14(19)12(6-11)18(16(20)21)13-7-15(13)26-17(22)24-18/h4-6,8-9,13,15-16H,7H2,1H3,(H2,22,24)/t13-,15+,18+/m0/s1 KVOAJAZSZMWESI-JCKWVBRZSA-N 171809 US9085576, 434::US9611261, Example 434 Beta-secretase 1 Homo sapiens 1210 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413304 312528461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609368 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-n1cc(cn1)C#CC1CC1 InChI=1S/C20H17F3N4O/c21-16-6-5-13(27-10-12(9-25-27)4-3-11-1-2-11)7-14(16)20(18(22)23)15-8-17(15)28-19(24)26-20/h5-7,9-11,15,17-18H,1-2,8H2,(H2,24,26)/t15-,17+,20+/m0/s1 IKXALYONKLWWTC-XAUMDUMWSA-N 171810 US9085576, 435::US9611261, Example 435 Beta-secretase 1 Homo sapiens 8625 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90441997 312528462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609370 COC(=O)c1ccc(cc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F InChI=1S/C21H17F4N3O4/c1-31-18(30)10-4-2-9(3-5-10)17(29)27-11-6-13(16(23)14(22)7-11)21(19(24)25)12-8-15(12)32-20(26)28-21/h2-7,12,15,19H,8H2,1H3,(H2,26,28)(H,27,29)/t12-,15+,21-/m1/s1 ANTRSKCSPYUHFS-PYDTXJQDSA-N 171811 US9085576, 436::US9611261, Example 436 Beta-secretase 1 Homo sapiens >36000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118361795 312528463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609372 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)N1Cc2cc(Cl)cnc2C1=O InChI=1S/C19H14ClF3N4O2/c20-9-3-8-7-27(16(28)15(8)25-6-9)10-1-2-13(21)11(4-10)19(17(22)23)12-5-14(12)29-18(24)26-19/h1-4,6,12,14,17H,5,7H2,(H2,24,26)/t12-,14+,19+/m0/s1 NLZGRPLQIREEHL-BBEJJTJUSA-N 171812 US9085576, 437::US9611261, Example 437 Beta-secretase 1 Homo sapiens 2185 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413553 312528464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609374 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C18H17F2N5O3/c1-27-14-8-22-12(7-23-14)15(26)24-10-4-2-3-9(5-10)18(16(19)20)11-6-13(11)28-17(21)25-18/h2-5,7-8,11,13,16H,6H2,1H3,(H2,21,25)(H,24,26)/t11-,13+,18+/m0/s1 JUVXORVLWREKSW-WHWRDJHUSA-N 171813 US9085576, 438::US9611261, Example 438 Beta-secretase 1 Homo sapiens 500 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90413125 312528465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609376 CN(C(=O)OC(C)(C)C)c1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F InChI=1S/C23H25F3N6O4/c1-22(2,3)36-21(34)32(4)12-9-28-17(29-10-12)18(33)30-11-5-6-15(24)13(7-11)23(19(25)26)14-8-16(14)35-20(27)31-23/h5-7,9-10,14,16,19H,8H2,1-4H3,(H2,27,31)(H,30,33)/t14-,16+,23+/m0/s1 WHIVIPLVLJDMOT-URSPUVDMSA-N 314916 US9611261, Example 439 Beta-secretase 1 Homo sapiens 473 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118232921 383541735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609378 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-c1nnc([nH]1)-c1ccc(F)cc1 InChI=1S/C20H15F4N5O/c21-11-4-1-9(2-5-11)16-26-17(29-28-16)10-3-6-14(22)12(7-10)20(18(23)24)13-8-15(13)30-19(25)27-20/h1-7,13,15,18H,8H2,(H2,25,27)(H,26,28,29)/t13-,15+,20+/m0/s1 MOYMIMBIBLCWNB-XBHMSOGKSA-N 171820 US9085576, 440::US9611261, Example 440 Beta-secretase 1 Homo sapiens >40000 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90401190 312528471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 609380 NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CF)ccc1Cl InChI=1S/C19H16Cl2F2N4O2/c20-10-3-9(6-22)16(25-7-10)17(28)26-11-1-2-14(21)12(4-11)19(8-23)13-5-15(13)29-18(24)27-19/h1-4,7,13,15H,5-6,8H2,(H2,24,27)(H,26,28)/t13-,15+,19+/m0/s1 PCLUEHSBZFUGLA-ZBQZNYHESA-N 171685 US9085576, 441::US9611261, Example 441 Beta-secretase 1 Homo sapiens 25.2 US Patent 10.7270/Q21J9CW2 aid1796485 US9611261 Minatti, AE; Low, JD; Allen, JR; Amegadzie, A; Brown, J; Frohn, MJ; Guzman-Perez, A; Harrington, PE; Lopez, P; Ma, VV; Nishimura, N; Qian, W; Rumfelt, S; Rzasa, RM; Sham, K; Smith, AL; White, R; Xue, Q Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414355 312528345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658487 C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C24H22F2N6O2S/c1-23(13-35(33,34)24(12-25,16-2-3-16)22(28)32-23)18-9-17(4-5-19(18)26)31-21-20-15(6-7-29-21)8-14(10-27)11-30-20/h4-9,11,16H,2-3,12-13H2,1H3,(H2,28,32)(H,29,31)/t23-,24-/m0/s1 FBHQTYOTNRAHFY-ZEQRLZLVSA-N 335424 8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromethyl)- 3-methyl-1,1-dioxido-3,6- dihydro-2H-1,4-thiazin-3-yl)-4- fluorophenyl)amino)-1,7- naphthyridine-3-carbonitrile::US9732088, Example 1 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568246 384987583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658489 C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1nc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C23H21F2N7O2S/c1-22(12-35(33,34)23(11-24,15-2-3-15)21(27)32-22)19-16(25)4-5-17(30-19)31-20-18-14(6-7-28-20)8-13(9-26)10-29-18/h4-8,10,15H,2-3,11-12H2,1H3,(H2,27,32)(H,28,30,31)/t22-,23-/m0/s1 KRAJGXSWKHNAOL-GOTSBHOMSA-N 335427 8-((6-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromethyl)- 3-methyl-1,1-dioxido-3,6- dihydro-2H-1,4-thiazin-3-yl)-5- fluoropyridin-2-yl)amino)-1,7- naphthyridine-3-carbonitrile::US9732088, Example 2 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568250 384987586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658491 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Br)cnc23)ncc1F InChI=1S/C22H22BrFN6O2S/c1-21(11-33(31,32)22(2,13-3-4-13)20(25)30-21)15-8-17(27-10-16(15)24)29-19-18-12(5-6-26-19)7-14(23)9-28-18/h5-10,13H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1 XVUPUDCWWFXVNH-VXKWHMMOSA-N 335430 (3R,6S)-5-amino-3-(2-((3- bromo-1,7-naphthyridin-8- yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 3 Beta-secretase 1 Homo sapiens 1.50 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335430&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568244 384987589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658493 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ncc1F InChI=1S/C23H22FN7O2S/c1-22(12-34(32,33)23(2,15-3-4-15)21(26)31-22)16-8-18(28-11-17(16)24)30-20-19-14(5-6-27-20)7-13(9-25)10-29-19/h5-8,10-11,15H,3-4,12H2,1-2H3,(H2,26,31)(H,27,28,30)/t22-,23-/m0/s1 YHELUJBWFRIIRE-GOTSBHOMSA-N 335431 8-((4-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-1,4- thiazin-3-yl)-5-fluoropyridin-2- yl)amino)-1,7-naphthyridine-3- carbonitrile::US9732088, Example 4 Beta-secretase 1 Homo sapiens 3.80 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335431&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568247 384987590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658495 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1nc(Nc2nccc3cc(cnc23)C#N)ncc1F InChI=1S/C22H21FN8O2S/c1-21(11-34(32,33)22(2,14-3-4-14)19(25)31-21)17-15(23)10-28-20(29-17)30-18-16-13(5-6-26-18)7-12(8-24)9-27-16/h5-7,9-10,14H,3-4,11H2,1-2H3,(H2,25,31)(H,26,28,29,30)/t21-,22-/m0/s1 NZDXTOQNZIQHRE-VXKWHMMOSA-N 335433 8-((4-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-1,4- thiazin-3-yl)-5-fluoropyrimidin- 2-yl)amino)-1,7-naphthyridine- 3-carbonitrile::US9732088, Example 5 Beta-secretase 1 Homo sapiens 8.70 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568245 384987592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658497 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)16-9-18(27-11-17(16)24)29-20-19-13(6-7-26-20)8-15(33-3)10-28-19/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,27,29)/t22-,23-/m0/s1 CVIKZJGUFZXXGR-GOTSBHOMSA-N 335434 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- methoxy-1,7-naphthyridin-8- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 6 Beta-secretase 1 Homo sapiens 2.60 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 102514699 384987593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658499 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C24H25F2N5O3S/c1-23(13-35(32,33)24(12-25,15-3-4-15)22(27)31-23)18-10-16(5-6-19(18)26)30-21-20-14(7-8-28-21)9-17(34-2)11-29-20/h5-11,15H,3-4,12-13H2,1-2H3,(H2,27,31)(H,28,30)/t23-,24-/m0/s1 FIFMFZCLDQSYGA-ZEQRLZLVSA-N 335437 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- methoxy-1,7-naphthyridin-8- yl)amino)phenyl)-6- (fluoromethyl)-3-methyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 7 Beta-secretase 1 Homo sapiens 7.10 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568286 384987596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658501 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 InChI=1S/C23H24F2N6O3S/c1-22(12-35(32,33)23(11-24,13-3-4-13)21(26)31-22)15-9-14(5-6-16(15)25)29-20-19-17(7-8-27-20)30-18(34-2)10-28-19/h5-10,13H,3-4,11-12H2,1-2H3,(H2,26,31)(H,27,29)/t22-,23-/m0/s1 BNDUULCXMIEQJS-GOTSBHOMSA-N 335438 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((2- methoxypyrido[3,4-b]pyrazin- 5-yl)amino)phenyl)-6- (fluoromethyl)-3-methyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 8 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129050390 384987597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658503 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 InChI=1S/C22H24FN7O3S/c1-21(11-34(31,32)22(2,12-4-5-12)20(24)30-21)13-8-16(26-9-14(13)23)29-19-18-15(6-7-25-19)28-17(33-3)10-27-18/h6-10,12H,4-5,11H2,1-3H3,(H2,24,30)(H,25,26,29)/t21-,22-/m0/s1 FUBUEZYZRDLFCH-VXKWHMMOSA-N 335444 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((2- methoxypyrido[3,4-b]pyrazin- 5-yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 9 Beta-secretase 1 Homo sapiens 13.6 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568348 384987603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658505 CC#CCOc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C26H27FN6O3S/c1-4-5-10-36-18-11-16-8-9-29-23(22(16)31-13-18)32-21-12-19(20(27)14-30-21)25(2)15-37(34,35)26(3,17-6-7-17)24(28)33-25/h8-9,11-14,17H,6-7,10,15H2,1-3H3,(H2,28,33)(H,29,30,32)/t25-,26-/m0/s1 OLBKIKACONSTEG-UIOOFZCWSA-N 335447 (3R,6S)-5-amino-3-(2-((3-(but- 2-yn-1-yloxy)-1,7-naphthyridin- 8-yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 10 Beta-secretase 1 Homo sapiens 0.790 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568350 384987606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658507 CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C26H26F2N6O3S/c1-3-4-9-37-19-10-16-7-8-30-23(21(16)31-13-19)33-18-11-20(22(28)32-12-18)25(2)15-38(35,36)26(14-27,17-5-6-17)24(29)34-25/h7-8,10-13,17H,5-6,9,14-15H2,1-2H3,(H2,29,34)(H,30,33)/t25-,26-/m0/s1 KZFGEZJUHWUIBB-UIOOFZCWSA-N 335448 (3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-naphthyridin- 8-yl)amino)-2-fluoropyridin-3- yl)-6-cyclopropyl-6- (fluoromethyl)-3-methyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 11 Beta-secretase 1 Homo sapiens 0.910 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568347 384987607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658509 COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C23H24F2N6O3S/c1-22(12-35(32,33)23(11-24,14-3-4-14)21(26)31-22)17-8-15(9-29-19(17)25)30-20-18-13(5-6-27-20)7-16(34-2)10-28-18/h5-10,14H,3-4,11-12H2,1-2H3,(H2,26,31)(H,27,30)/t22-,23-/m0/s1 BPIPHIRWHIDPGM-GOTSBHOMSA-N 335453 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- methoxy-1,7-naphthyridin-8- yl)amino)pyridin-3-yl)-6- (fluoromethyl)-3-methyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 12 Beta-secretase 1 Homo sapiens 6.10 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568342 384987612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658511 CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 InChI=1S/C25H25F2N7O3S/c1-3-4-9-37-19-12-30-20-18(33-19)7-8-29-22(20)32-16-10-17(21(27)31-11-16)24(2)14-38(35,36)25(13-26,15-5-6-15)23(28)34-24/h7-8,10-12,15H,5-6,9,13-14H2,1-2H3,(H2,28,34)(H,29,32)/t24-,25-/m0/s1 OVGRAIBUURUVLO-DQEYMECFSA-N 335454 (3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido[3,4- b]pyrazin-5-yl)amino)-2- fluoropyridin-3-yl)-6- cyclopropyl-6-(fluoromethyl)- 3-methyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 13 Beta-secretase 1 Homo sapiens 0.650 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568264 384987613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658513 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C24H26FN5O3S/c1-23(13-34(31,32)24(2,15-4-5-15)22(26)30-23)18-11-16(6-7-19(18)25)29-21-20-14(8-9-27-21)10-17(33-3)12-28-20/h6-12,15H,4-5,13H2,1-3H3,(H2,26,30)(H,27,29)/t23-,24-/m0/s1 ZKCMQQBUWGTNHE-ZEQRLZLVSA-N 335455 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- methoxy-1,7-naphthyridin-8- yl)amino)phenyl)-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 14 Beta-secretase 1 Homo sapiens 9.30 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568263 384987614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658515 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F InChI=1S/C22H22BrFN6O2S/c1-21(10-33(31,32)22(2,12-3-4-12)20(25)30-21)15-8-14(5-6-16(15)24)29-19-18-17(27-11-28-19)7-13(23)9-26-18/h5-9,11-12H,3-4,10H2,1-2H3,(H2,25,30)(H,27,28,29)/t21-,22-/m0/s1 PQVUIOFLWIGLEN-VXKWHMMOSA-N 335456 (3R,6S)-5-amino-3-(5-((7- bromopyrido[3,2-d]pyrimidin- 4-yl)amino)-2-fluorophenyl)-6- cyclopropyl-3,6-dimethyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 15 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568265 384987615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658517 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F InChI=1S/C23H22FN7O2S/c1-22(11-34(32,33)23(2,14-3-4-14)21(26)31-22)16-8-15(5-6-17(16)24)30-20-19-18(28-12-29-20)7-13(9-25)10-27-19/h5-8,10,12,14H,3-4,11H2,1-2H3,(H2,26,31)(H,28,29,30)/t22-,23-/m0/s1 BLPDQFTZIQGBQQ-GOTSBHOMSA-N 335457 4-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-1,4- thiazin-3-yl)-4- fluorophenyl)amino)pyrido[3,2- d]pyrimidine-7-carbonitrile::US9732088, Example 16 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568256 384987616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658519 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F InChI=1S/C23H23BrFN5O2S/c1-22(12-33(31,32)23(2,14-3-4-14)21(26)30-22)17-10-16(5-6-18(17)25)29-20-19-13(7-8-27-20)9-15(24)11-28-19/h5-11,14H,3-4,12H2,1-2H3,(H2,26,30)(H,27,29)/t22-,23-/m0/s1 GWQUCPLODYOHAI-GOTSBHOMSA-N 335458 8-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-l,4- thiazin-3-yl)-4- fluorophenyl)amino)-1,7- naphthyridine-3-carbonitrile::US9732088, Example 17 Beta-secretase 1 Homo sapiens 1.40 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568258 384987617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658521 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C24H23FN6O2S/c1-23(13-34(32,33)24(2,16-3-4-16)22(27)31-23)18-10-17(5-6-19(18)25)30-21-20-15(7-8-28-21)9-14(11-26)12-29-20/h5-10,12,16H,3-4,13H2,1-2H3,(H2,27,31)(H,28,30)/t23-,24-/m0/s1 CHBPXGAKUSPCAU-ZEQRLZLVSA-N 335459 8-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-1,4- thiazin-3-yl)-4- fluorophenyl)amino)-1,7- naphthyridine-3-carbonitrile::US9732088, Example 18 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568260 384987618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658523 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2c1 InChI=1S/C22H24FN7O3S/c1-21(10-34(31,32)22(2,12-4-5-12)20(24)30-21)14-7-17(25-9-15(14)23)29-19-18-16(27-11-28-19)6-13(33-3)8-26-18/h6-9,11-12H,4-5,10H2,1-3H3,(H2,24,30)(H,25,27,28,29)/t21-,22-/m0/s1 XCGMUTVWAFFLMU-VXKWHMMOSA-N 335460 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- methoxypyrido[3,2- d]pyrimidin-4- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 19 Beta-secretase 1 Homo sapiens 67.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568351 384987619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658525 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2c1 InChI=1S/C23H25FN6O3S/c1-22(11-34(31,32)23(2,13-4-5-13)21(25)30-22)16-8-14(6-7-17(16)24)29-20-19-18(27-12-28-20)9-15(33-3)10-26-19/h6-10,12-13H,4-5,11H2,1-3H3,(H2,25,30)(H,27,28,29)/t22-,23-/m0/s1 FFZYFESETLWWHR-GOTSBHOMSA-N 335461 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((7- methoxypyrido[3,2- d]pyrimidin-4- yl)amino)phenyl)-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 20 Beta-secretase 1 Homo sapiens 3.70 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568278 384987620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658527 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2c1 InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,13-4-5-13)21(25)30-22)15-9-19(27-11-16(15)24)29-17-6-7-26-18-8-14(33-3)10-28-20(17)18/h6-11,13H,4-5,12H2,1-3H3,(H2,25,30)(H,26,27,29)/t22-,23-/m0/s1 GPYWXHYNHQRNQX-GOTSBHOMSA-N 335462 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- methoxy-1,5-naphthyridin-4- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 21 Beta-secretase 1 Homo sapiens 5.30 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568344 384987621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658529 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2n1 InChI=1S/C22H24FN7O3S/c1-21(10-34(31,32)22(2,12-4-5-12)20(24)30-21)14-8-13(6-7-15(14)23)28-18-17-19(27-11-26-18)29-16(33-3)9-25-17/h6-9,11-12H,4-5,10H2,1-3H3,(H2,24,30)(H,26,27,28,29)/t21-,22-/m0/s1 YIFGFQXGTFGZHO-VXKWHMMOSA-N 335463 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((7- methoxypteridin-4- yl)amino)phenyl)-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 22 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568276 384987622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658531 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2n1 InChI=1S/C21H23FN8O3S/c1-20(9-34(31,32)21(2,11-4-5-11)19(23)30-20)12-6-14(24-7-13(12)22)28-17-16-18(27-10-26-17)29-15(33-3)8-25-16/h6-8,10-11H,4-5,9H2,1-3H3,(H2,23,30)(H,24,26,27,28,29)/t20-,21-/m0/s1 KBHAXEFYGMUHTK-SFTDATJTSA-N 335464 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- methoxypteridin-4- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 23 Beta-secretase 1 Homo sapiens 271 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568279 384987623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658533 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,13-4-5-13)21(25)30-22)15-10-14(6-7-16(15)24)28-20-19-17(8-9-26-20)29-18(33-3)11-27-19/h6-11,13H,4-5,12H2,1-3H3,(H2,25,30)(H,26,28)/t22-,23-/m0/s1 NTNOYWKSYYHCPO-GOTSBHOMSA-N 335465 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((2- methoxypyrido[3,4-b]pyiazin- 5-yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 24 Beta-secretase 1 Homo sapiens 4.80 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568343 384987624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658535 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(O)cnc23)ncc1F InChI=1S/C22H23FN6O3S/c1-21(11-33(31,32)22(2,13-3-4-13)20(24)29-21)15-8-17(26-10-16(15)23)28-19-18-12(5-6-25-19)7-14(30)9-27-18/h5-10,13,30H,3-4,11H2,1-2H3,(H2,24,29)(H,25,26,28)/t21-,22-/m0/s1 KUEIENKSQXRQDS-VXKWHMMOSA-N 335466 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- hydroxy-1,7-naphthyridin-8- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 25 Beta-secretase 1 Homo sapiens 0.890 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137017597 384987625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658537 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(F)cnc23)ncc1F InChI=1S/C22H22F2N6O2S/c1-21(11-33(31,32)22(2,13-3-4-13)20(25)30-21)15-8-17(27-10-16(15)24)29-19-18-12(5-6-26-19)7-14(23)9-28-18/h5-10,13H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1 LCPTYACFEQUNJA-VXKWHMMOSA-N 335467 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- fluoro-1,7-naphthyridin-8- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 26 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568288 384987626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658539 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ncc1F InChI=1S/C22H22ClFN6O2S/c1-21(11-33(31,32)22(2,13-3-4-13)20(25)30-21)15-8-17(27-10-16(15)24)29-19-18-12(5-6-26-19)7-14(23)9-28-18/h5-10,13H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1 KYNAHWGPJMEWBU-VXKWHMMOSA-N 335468 (3R,6S)-5-amino-3-(2-((3- chloro-1,7-naphthyridin-8- yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 27 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568280 384987627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658541 CC#CCOc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 InChI=1S/C25H26FN7O3S/c1-4-5-10-36-20-13-30-21-18(31-20)8-9-28-22(21)32-19-11-16(17(26)12-29-19)24(2)14-37(34,35)25(3,15-6-7-15)23(27)33-24/h8-9,11-13,15H,6-7,10,14H2,1-3H3,(H2,27,33)(H,28,29,32)/t24-,25-/m0/s1 WNNAKXIJQVIXSU-DQEYMECFSA-N 335469 (3R,6S)-5-amino-3-(2-((2-(but- 2-yn-1-yloxy)pyrido[3,4- b]pyrazin-5-yl)amino)-5- fluoropyridin-4-yl)-6- cyclopropyl-3,6-dimethyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 28 Beta-secretase 1 Homo sapiens 1.50 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568281 384987628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658543 CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 InChI=1S/C25H26FN7O3S/c1-4-5-10-36-19-13-29-20-18(32-19)8-9-28-22(20)31-16-11-17(21(26)30-12-16)24(2)14-37(34,35)25(3,15-6-7-15)23(27)33-24/h8-9,11-13,15H,6-7,10,14H2,1-3H3,(H2,27,33)(H,28,31)/t24-,25-/m0/s1 BJPKAAAEFSVBLQ-DQEYMECFSA-N 335470 (3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido[3,4- b]pyrazin-5-yl)amino)-2- fluoropyridin-3-yl)-6- cyclopropyl-3,6-dimethyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 29 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568291 384987629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658545 CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C26H27FN6O3S/c1-4-5-10-36-19-11-16-8-9-29-23(21(16)30-14-19)32-18-12-20(22(27)31-13-18)25(2)15-37(34,35)26(3,17-6-7-17)24(28)33-25/h8-9,11-14,17H,6-7,10,15H2,1-3H3,(H2,28,33)(H,29,32)/t25-,26-/m0/s1 LAJVFJLBDJBYEL-UIOOFZCWSA-N 335471 (3R,6S)-5-amino-3-(5-((3-(but- 2-yn-1-yloxy)-1,7-naphthyridin- 8-yl)amino)-2-fluoropyridin-3- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 30 Beta-secretase 1 Homo sapiens 2.80 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568295 384987630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658547 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cccnc23)ncc1F InChI=1S/C22H23FN6O2S/c1-21(12-32(30,31)22(2,13-5-6-13)20(24)29-21)14-10-18(27-11-15(14)23)28-17-7-9-25-16-4-3-8-26-19(16)17/h3-4,7-11,13H,5-6,12H2,1-2H3,(H2,24,29)(H,25,27,28)/t21-,22-/m0/s1 NTFSPQNSYVQSDW-VXKWHMMOSA-N 335472 (3R,6S)-3-(2-((1,5- naphthyridin-4-yl)amino)-5- fluoropyridin-4-yl)-5-amino-6- cyclopropyl-3,6-dimethyl-3,6- dihydro-2H-1,4-thiazine 1,1- dioxide::US9732088, Example 31 Beta-secretase 1 Homo sapiens 59.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568269 384987631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658549 COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)17-9-15(10-28-19(17)24)29-20-18-13(6-7-26-20)8-16(33-3)11-27-18/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,29)/t22-,23-/m0/s1 JPRKRIBITUJGJD-GOTSBHOMSA-N 335473 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- methoxy-1,7-naphthyridin-8- yl)amino)pyridin-3-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 32 Beta-secretase 1 Homo sapiens 6.90 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568266 384987632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658551 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(Cl)cnc23)ncc1F InChI=1S/C22H22ClFN6O2S/c1-21(11-33(31,32)22(2,12-3-4-12)20(25)30-21)14-8-18(27-10-15(14)24)29-16-5-6-26-17-7-13(23)9-28-19(16)17/h5-10,12H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1 FCXFMBYBPKCVQJ-VXKWHMMOSA-N 335474 (3R,6S)-5-amino-3-(2-((7- chloro-1,5-naphthyridin-4- yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 33 Beta-secretase 1 Homo sapiens 6.20 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568270 384987633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658553 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(F)cnc23)ncc1F InChI=1S/C22H22F2N6O2S/c1-21(11-33(31,32)22(2,12-3-4-12)20(25)30-21)14-8-18(27-10-15(14)24)29-16-5-6-26-17-7-13(23)9-28-19(16)17/h5-10,12H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1 HWNAGSUQQMJHQF-VXKWHMMOSA-N 335475 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- fluoro-1,5-naphthyridin-4- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 34 Beta-secretase 1 Homo sapiens 8.50 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568257 384987634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658555 COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2n1 InChI=1S/C22H24FN7O3S/c1-21(11-34(31,32)22(2,12-4-5-12)20(24)30-21)13-8-16(26-9-14(13)23)28-15-6-7-25-19-18(15)27-10-17(29-19)33-3/h6-10,12H,4-5,11H2,1-3H3,(H2,24,30)(H,25,26,28,29)/t21-,22-/m0/s1 OTPAXBCWXPWHGP-VXKWHMMOSA-N 335476 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- methoxypyrido[2,3-b]pyrazin- 8-yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 35 Beta-secretase 1 Homo sapiens 5.20 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568259 384987635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658557 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2c1 InChI=1S/C24H26FN5O3S/c1-23(13-34(31,32)24(2,14-4-5-14)22(26)30-23)17-10-15(6-7-18(17)25)29-19-8-9-27-20-11-16(33-3)12-28-21(19)20/h6-12,14H,4-5,13H2,1-3H3,(H2,26,30)(H,27,29)/t23-,24-/m0/s1 YEEDEQXEFZWMQS-ZEQRLZLVSA-N 335477 (3R,6S)-5-amino-6- cycIopropyl-3-(2-fluoro-5-((7- methoxy-1,5-naphthyridin-4- yl)amino)phenyl)-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 36 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568261 384987636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658559 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2n1 InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,13-4-5-13)21(25)30-22)15-10-14(6-7-16(15)24)28-17-8-9-26-20-19(17)27-11-18(29-20)33-3/h6-11,13H,4-5,12H2,1-3H3,(H2,25,30)(H,26,28,29)/t22-,23-/m0/s1 TXEKGEDTONZIHF-GOTSBHOMSA-N 335478 (3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- methoxypyrido[2,3-b]pyrazin- 8-yl)amino)phenyl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 37 Beta-secretase 1 Homo sapiens 40.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568284 384987637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658561 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ncc1F InChI=1S/C21H21BrFN7O2S/c1-20(9-33(31,32)21(2,11-3-4-11)19(24)30-20)13-6-16(25-8-14(13)23)29-18-17-15(27-10-28-18)5-12(22)7-26-17/h5-8,10-11H,3-4,9H2,1-2H3,(H2,24,30)(H,25,27,28,29)/t20-,21-/m0/s1 NDZHGDWZVWRPRL-SFTDATJTSA-N 335479 (3R,6S)-5-amino-3-(2-((7- bromopyrido[3,2-d]pyrimidin- 4-yl)amino)-5-fluoropyridin-4- yl)-6-cyclopropyl-3,6-dimethyl- 3,6-dihydro-2H-1,4-thiazine 1,1-dioxide::US9732088, Example 38 Beta-secretase 1 Homo sapiens 8.20 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568292 384987638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 658563 C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ncc1F InChI=1S/C22H21FN8O2S/c1-21(10-34(32,33)22(2,13-3-4-13)20(25)31-21)14-6-17(26-9-15(14)23)30-19-18-16(28-11-29-19)5-12(7-24)8-27-18/h5-6,8-9,11,13H,3-4,10H2,1-2H3,(H2,25,31)(H,26,28,29,30)/t21-,22-/m0/s1 CVMPFRWKSSVYBK-VXKWHMMOSA-N 335480 4-((4-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-1,4- thiazin-3-yl)-5-fluoropyridin-2- yl)amino)pyrido[3,2- d]pyrimidine-7-carbonitrile::US9732088, Example 39 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2XD13S2 aid1796982 US9732088 Walsh, SP; Cumming, JN; He, S; Taoka, BM; Truong, QT; Wu, W Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=335480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=335480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118568297 384987639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662923 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1 JQUCWIWWWKZNCS-LESHARBVSA-N 312928 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide ::US9605007, Example 1::US9744173, Example 1 Beta-secretase 1 Homo sapiens 41.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435422 383539877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662924 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1 JQUCWIWWWKZNCS-LESHARBVSA-N 312928 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide ::US9605007, Example 1::US9744173, Example 1 Beta-secretase 1 Homo sapiens 31.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435422 383539877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662925 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C24H22F2N6O4S2/c1-13-7-15-10-38-23(31-19(33)14-5-3-2-4-6-14)32-24(15,12-35-13)21-30-17(11-37-21)29-20(34)16-8-28-18(9-27-16)36-22(25)26/h2-6,8-9,11,13,15,22H,7,10,12H2,1H3,(H,29,34)(H,31,32,33)/t13-,15-,24-/m0/s1 TUOZDQRAUJQYNQ-WWDXNRJTSA-N 312929 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyrazine-2-carboxamide ::US9605007, Example 2::US9744173, Example 2 Beta-secretase 1 Homo sapiens 73.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435478 383539878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662926 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CF)n2)cs1 InChI=1S/C23H22FN5O4S2/c1-13-7-15-10-35-22(28-19(30)14-5-3-2-4-6-14)29-23(15,12-33-13)21-27-17(11-34-21)26-20(31)16-9-32-18(8-24)25-16/h2-6,9,11,13,15H,7-8,10,12H2,1H3,(H,26,31)(H,28,29,30)/t13-,15-,23-/m0/s1 LNFHEKUDIBHPNZ-HMFCALDFSA-N 336255 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-2-(fluoromethyl)-1,3-oxazole-4-carboxamide ::US9744173, Example 3 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435367 384988388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662927 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 InChI=1S/C23H22F2N6O3S2/c1-13-9-15-10-36-22(28-18(32)14-5-3-2-4-6-14)29-23(15,12-34-13)20-27-17(11-35-20)26-19(33)16-7-8-31(30-16)21(24)25/h2-8,11,13,15,21H,9-10,12H2,1H3,(H,26,33)(H,28,29,32)/t13-,15-,23-/m0/s1 AVLYAPGHFXDKHL-HMFCALDFSA-N 336256 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide ::US9744173, Example 4 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435575 384988389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662928 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C25H22N6O3S2/c1-15-9-18-12-36-24(30-21(32)17-5-3-2-4-6-17)31-25(18,14-34-15)23-29-20(13-35-23)28-22(33)19-8-7-16(10-26)11-27-19/h2-8,11,13,15,18H,9,12,14H2,1H3,(H,28,33)(H,30,31,32)/t15-,18-,25-/m0/s1 CICFETZIRSPHDM-LCAJTWGOSA-N 336257 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-cyanopyridine-2-carboxamide ::US9744173, Example 5 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435364 384988390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662929 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 InChI=1S/C23H21ClF2N6O3S2/c1-12-7-14-9-37-22(29-18(33)13-5-3-2-4-6-13)30-23(14,11-35-12)20-28-16(10-36-20)27-19(34)17-15(24)8-32(31-17)21(25)26/h2-6,8,10,12,14,21H,7,9,11H2,1H3,(H,27,34)(H,29,30,33)/t12-,14-,23-/m0/s1 PSTMNUIRHUROOH-YSALQEOHSA-N 336258 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide ::US9744173, Example 6 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435450 384988391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662930 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C24H22ClN5O3S2/c1-14-9-16-11-35-23(29-20(31)15-5-3-2-4-6-15)30-24(16,13-33-14)22-28-19(12-34-22)27-21(32)18-8-7-17(25)10-26-18/h2-8,10,12,14,16H,9,11,13H2,1H3,(H,27,32)(H,29,30,31)/t14-,16-,24-/m0/s1 KVJVCXGPNSNZGV-ZYXJOJAPSA-N 312930 N-{2-[(4a R, 6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-chloropyridine-2-carboxamide ::US9605007, Example 7::US9744173, Example 7 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435445 383539879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662931 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C24H22ClN5O3S2/c1-14-9-16-11-35-23(29-20(31)15-5-3-2-4-6-15)30-24(16,13-33-14)22-28-19(12-34-22)27-21(32)18-8-7-17(25)10-26-18/h2-8,10,12,14,16H,9,11,13H2,1H3,(H,27,32)(H,29,30,31)/t14-,16-,24-/m0/s1 KVJVCXGPNSNZGV-ZYXJOJAPSA-N 312930 N-{2-[(4a R, 6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-chloropyridine-2-carboxamide ::US9605007, Example 7::US9744173, Example 7 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435445 383539879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662932 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(N)cs1 InChI=1S/C18H20N4O2S2/c1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16/h2-6,9,11,13H,7-8,10,19H2,1H3,(H,21,22,23)/t11-,13-,18-/m0/s1 IWOXPVBSLOJAOE-FNFWKMNBSA-N 336311 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-2-(difluoromethyl)-1,3-oxazole-4-carboxamide ::US9744173, Example 8 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435402 384988444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662933 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 InChI=1S/C17H18FN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 QQBRRRLRJBDPNK-YMNVWFMLSA-N 223322 US9315520, 9::US9605007, Example 9::US9744173, Example 9 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435412 336285197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662934 COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H20N6O3S2/c1-9-3-10-6-28-16(18)23-17(10,8-26-9)15-22-12(7-27-15)21-14(24)11-4-20-13(25-2)5-19-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,18,23)(H,21,24)/t9-,10-,17-/m0/s1 OWMWOBMERLAIGE-YMNVWFMLSA-N 223323 US9315520, 10::US9605007, Example 10::US9744173, Example 10 Beta-secretase 1 Homo sapiens 536 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435506 336285198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662935 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(CF)cn2)cs1 InChI=1S/C17H19FN6O2S2/c1-9-2-10-6-28-16(19)24-17(10,8-26-9)15-23-13(7-27-15)22-14(25)12-5-20-11(3-18)4-21-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,19,24)(H,22,25)/t9-,10-,17-/m0/s1 CBLCZFAAVKWPBF-YMNVWFMLSA-N 223324 US9315520, 11::US9605007, Example 11::US9744173, Example 11 Beta-secretase 1 Homo sapiens 315 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435396 336285199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662936 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(F)F)cn2)cs1 InChI=1S/C18H20F2N6O3S2/c1-9-2-10-6-31-17(21)26-18(10,8-29-9)16-25-13(7-30-16)24-15(27)11-3-23-14(4-22-11)28-5-12(19)20/h3-4,7,9-10,12H,2,5-6,8H2,1H3,(H2,21,26)(H,24,27)/t9-,10-,18-/m0/s1 MTELPMJTUUXMHL-RAALSFIWSA-N 223325 US9315520, 12::US9605007, Example 12::US9744173, Example 12 Beta-secretase 1 Homo sapiens 280 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435479 336285200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662937 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 InChI=1S/C18H20FN5O2S2/c1-9-3-12(19)5-21-14(9)15(25)22-13-7-27-16(23-13)18-8-26-10(2)4-11(18)6-28-17(20)24-18/h3,5,7,10-11H,4,6,8H2,1-2H3,(H2,20,24)(H,22,25)/t10-,11-,18-/m0/s1 MKJNGYHYSXIWAW-FHGNATFXSA-N 223326 US9315520, 13::US9605007, Example 13::US9744173, Example 13 Beta-secretase 1 Homo sapiens 90.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435617 336285201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662938 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cc2C)cs1 InChI=1S/C19H21FN4O2S2/c1-10-5-13(20)3-4-14(10)16(25)22-15-8-27-17(23-15)19-9-26-11(2)6-12(19)7-28-18(21)24-19/h3-5,8,11-12H,6-7,9H2,1-2H3,(H2,21,24)(H,22,25)/t11-,12-,19-/m0/s1 SEFUTUWYYPZIQS-ZKTNFTSUSA-N 336327 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 14 Beta-secretase 1 Homo sapiens 866 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129175204 384988460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662939 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)F)cs1 InChI=1S/C17H18F2N6O2S2/c1-8-2-9-5-29-16(20)25-17(9,7-27-8)15-24-12(6-28-15)23-14(26)11-4-21-10(3-22-11)13(18)19/h3-4,6,8-9,13H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 JYZPKERPINZOAQ-GSRNSYJJSA-N 223328 US9315520, 15::US9605007, Example 15::US9744173, Example 15 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435488 336285203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662940 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)(F)F)cs1 InChI=1S/C17H17F3N6O2S2/c1-8-2-9-5-30-15(21)26-16(9,7-28-8)14-25-12(6-29-14)24-13(27)10-3-23-11(4-22-10)17(18,19)20/h3-4,6,8-9H,2,5,7H2,1H3,(H2,21,26)(H,24,27)/t8-,9-,16-/m0/s1 DQNJGYDIUVGGMU-BEPCFFQHSA-N 223329 US9315520, 16::US9605007, Example 16::US9744173, Example 16 Beta-secretase 1 Homo sapiens 193 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435464 336285204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662941 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 InChI=1S/C18H18F3N5O2S2/c1-9-4-11-6-30-16(22)26-17(11,8-28-9)15-25-13(7-29-15)24-14(27)12-3-2-10(5-23-12)18(19,20)21/h2-3,5,7,9,11H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,11-,17-/m0/s1 ZZHRZUNUORUAKI-NSTVUXKKSA-N 223330 US9315520, 17::US9605007, Example 17::US9744173, Example 17 Beta-secretase 1 Homo sapiens 54.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435560 336285205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662942 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2F)cs1 InChI=1S/C17H17F2N5O2S2/c1-8-2-9-5-28-16(20)24-17(9,7-26-8)15-23-12(6-27-15)22-14(25)13-11(19)3-10(18)4-21-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,20,24)(H,22,25)/t8-,9-,17-/m0/s1 KPPHBCMVHQAEJD-GSRNSYJJSA-N 223331 US9315520, 18::US9605007, Example 18::US9744173, Example 18 Beta-secretase 1 Homo sapiens 153 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435529 336285206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662943 COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H21N5O3S2/c1-10-5-11-7-28-17(19)23-18(11,9-26-10)16-22-14(8-27-16)21-15(24)13-4-3-12(25-2)6-20-13/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,19,23)(H,21,24)/t10-,11-,18-/m0/s1 FAOQHMUWUIPURU-FHGNATFXSA-N 223332 US9315520, 19::US9605007, Example 19::US9744173, Example 19 Beta-secretase 1 Homo sapiens 259 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435601 336285207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662944 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 InChI=1S/C18H18F3N5O3S2/c1-9-4-10-6-31-16(22)26-17(10,8-28-9)15-25-13(7-30-15)24-14(27)12-3-2-11(5-23-12)29-18(19,20)21/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,10-,17-/m0/s1 JGHWELLXLGSIDW-YMNVWFMLSA-N 223333 US9315520, 20::US9605007, Example 20::US9744173, Example 20 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435414 336285208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662945 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cc2)cs1 InChI=1S/C19H20F2N4O3S2/c1-10-6-12-7-30-18(22)25-19(12,9-27-10)16-24-14(8-29-16)23-15(26)11-2-4-13(5-3-11)28-17(20)21/h2-5,8,10,12,17H,6-7,9H2,1H3,(H2,22,25)(H,23,26)/t10-,12-,19-/m0/s1 OPDKSXUPVRRQFC-DKHZXNSXSA-N 223334 US9315520, 21::US9605007, Example 21::US9744173, Example 21 Beta-secretase 1 Homo sapiens 106 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435377 336285209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662946 CC#CCOc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H22N6O3S2/c1-3-4-5-28-16-8-22-14(7-23-16)17(27)24-15-10-30-18(25-15)20-11-29-12(2)6-13(20)9-31-19(21)26-20/h7-8,10,12-13H,5-6,9,11H2,1-2H3,(H2,21,26)(H,24,27)/t12-,13-,20-/m0/s1 VBTNLZCJDCSFOZ-QAJFTPDKSA-N 223335 US9315520, 22::US9605007, Example 22::US9744173, Example 22 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435549 336285210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662947 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc3ccccn3n2)cs1 InChI=1S/C19H20N6O2S2/c1-11-6-12-8-29-18(20)23-19(12,10-27-11)17-22-15(9-28-17)21-16(26)14-7-13-4-2-3-5-25(13)24-14/h2-5,7,9,11-12H,6,8,10H2,1H3,(H2,20,23)(H,21,26)/t11-,12-,19-/m0/s1 CVBNXPCVRUETLV-ZKTNFTSUSA-N 223336 US9315520, 23::US9605007, Example 23::US9744173, Example 23 Beta-secretase 1 Homo sapiens 1000 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435489 336285211 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662948 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(C)n2)cs1 InChI=1S/C16H20N6O2S2/c1-9-5-10-6-26-15(17)20-16(10,8-24-9)14-19-12(7-25-14)18-13(23)11-3-4-22(2)21-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,17,20)(H,18,23)/t9-,10-,16-/m0/s1 ODHPORBDAZCOFR-PUTJDCORSA-N 223337 US9315520, 24::US9605007, Example 24::US9744173, Example 24 Beta-secretase 1 Homo sapiens 81.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435557 336285212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662949 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)F)cs1 InChI=1S/C18H19F2N5O2S2/c1-9-4-11-6-29-17(21)25-18(11,8-27-9)16-24-13(7-28-16)23-15(26)12-3-2-10(5-22-12)14(19)20/h2-3,5,7,9,11,14H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,11-,18-/m0/s1 VODMRWRUUKHXBB-DNTLEWNLSA-N 223338 US9315520, 25::US9605007, Example 25::US9744173, Example 25 Beta-secretase 1 Homo sapiens 74.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435434 336285213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662950 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCF)cn2)cs1 InChI=1S/C18H20FN5O3S2/c1-10-4-11-6-29-17(20)24-18(11,8-26-10)16-23-14(7-28-16)22-15(25)13-3-2-12(5-21-13)27-9-19/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H2,20,24)(H,22,25)/t10-,11-,18-/m0/s1 VEDHYWULCFLZLU-FHGNATFXSA-N 223339 US9315520, 26::US9605007, Example 26::US9744173, Example 26 Beta-secretase 1 Homo sapiens 68.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435370 336285214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662951 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C2CC2)cs1 InChI=1S/C18H21N5O3S2/c1-9-4-11-6-28-17(19)23-18(11,8-26-9)16-22-13(7-27-16)21-14(24)12-5-25-15(20-12)10-2-3-10/h5,7,9-11H,2-4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,11-,18-/m0/s1 VFCAYPOLCRSWNC-DNTLEWNLSA-N 223340 US9315520, 27::US9605007, Example 27::US9744173, Example 27 Beta-secretase 1 Homo sapiens 1310 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435408 336285215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662952 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnccn2)cs1 InChI=1S/C16H18N6O2S2/c1-9-4-10-6-26-15(17)22-16(10,8-24-9)14-21-12(7-25-14)20-13(23)11-5-18-2-3-19-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,17,22)(H,20,23)/t9-,10-,16-/m0/s1 IKSLBTJLVKHCPK-PUTJDCORSA-N 223341 US9315520, 28::US9605007, Example 28::US9744173, Example 28 Beta-secretase 1 Homo sapiens 647 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435554 336285216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662953 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nc2C)cs1 InChI=1S/C17H22N6O2S2/c1-9-4-11-6-27-16(18)21-17(11,8-25-9)15-20-13(7-26-15)19-14(24)12-5-23(3)22-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3,(H2,18,21)(H,19,24)/t9-,11-,17-/m0/s1 AMFCYNCVUSEZKE-NSTVUXKKSA-N 223342 US9315520, 29::US9605007, Example 29::US9744173, Example 29 Beta-secretase 1 Homo sapiens 1990 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435390 336285217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662954 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cccnn2)cs1 InChI=1S/C16H18N6O2S2/c1-9-5-10-6-26-15(17)21-16(10,8-24-9)14-20-12(7-25-14)19-13(23)11-3-2-4-18-22-11/h2-4,7,9-10H,5-6,8H2,1H3,(H2,17,21)(H,19,23)/t9-,10-,16-/m0/s1 KQUUSQLBNZEBSG-PUTJDCORSA-N 223343 US9315520, 30::US9605007, Example 30::US9744173, Example 30 Beta-secretase 1 Homo sapiens 2160 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435620 336285218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662955 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C2CC2)cs1 InChI=1S/C18H21N5O3S2/c1-9-4-11-6-28-17(19)22-18(11,8-25-9)16-21-14(7-27-16)20-15(24)12-5-13(26-23-12)10-2-3-10/h5,7,9-11H,2-4,6,8H2,1H3,(H2,19,22)(H,20,24)/t9-,11-,18-/m0/s1 KENHHNMXVIAHLZ-DNTLEWNLSA-N 223344 US9315520, 31::US9605007, Example 31::US9744173, Example 31 Beta-secretase 1 Homo sapiens 3820 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435580 336285219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662956 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C(F)(F)F)cs1 InChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)23-15(8,6-26-7)13-22-11(5-28-13)21-12(25)9-3-10(27-24-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,23)(H,21,25)/t7-,8-,15-/m0/s1 JYRNKTIZIIHCIG-VQLIFVOLSA-N 223345 US9315520, 32::US9605007, Example 32::US9744173, Example 32 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435419 336285220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662957 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(cn2)C2CCC2)cs1 InChI=1S/C19H24N6O2S2/c1-11-5-12-7-29-18(20)24-19(12,9-27-11)17-23-15(8-28-17)22-16(26)14-6-25(10-21-14)13-3-2-4-13/h6,8,10-13H,2-5,7,9H2,1H3,(H2,20,24)(H,22,26)/t11-,12-,19-/m0/s1 ITYWKJYCAPJVMB-ZKTNFTSUSA-N 223346 US9315520, 33::US9605007, Example 33::US9744173, Example 33 Beta-secretase 1 Homo sapiens 34100 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435373 336285221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662958 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(nn2C)C2CCC2)cs1 InChI=1S/C20H26N6O2S2/c1-11-6-13-8-30-19(21)24-20(13,10-28-11)18-23-16(9-29-18)22-17(27)15-7-14(25-26(15)2)12-4-3-5-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H2,21,24)(H,22,27)/t11-,13-,20-/m0/s1 SSQFRZCBPFEOAS-LOOLNKMNSA-N 223347 US9315520, 34::US9605007, Example 34::US9744173, Example 34 Beta-secretase 1 Homo sapiens 1480 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435514 336285222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662959 COCc1cc(no1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O4S2/c1-9-3-10-6-28-16(18)21-17(10,8-25-9)15-20-13(7-27-15)19-14(23)12-4-11(5-24-2)26-22-12/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,18,21)(H,19,23)/t9-,10-,17-/m0/s1 WOYRAWQEJFVPFI-YMNVWFMLSA-N 223348 US9315520, 35::US9605007, Example 35::US9744173, Example 35 Beta-secretase 1 Homo sapiens 5860 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435391 336285223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662960 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(=O)n(C)c2)cs1 InChI=1S/C18H21N5O3S2/c1-10-5-12-7-28-17(19)22-18(12,9-26-10)16-21-13(8-27-16)20-15(25)11-3-4-14(24)23(2)6-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,19,22)(H,20,25)/t10-,12-,18-/m0/s1 IECQITLUAYZASQ-RSNWOKGLSA-N 223349 US9315520, 36::US9605007, Example 36::US9744173, Example 36 Beta-secretase 1 Homo sapiens 1410 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435444 336285224 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662961 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC(F)F)cn2)cs1 InChI=1S/C19H21F2N5O3S2/c1-10-4-11-7-31-18(22)26-19(11,9-29-10)17-25-15(8-30-17)24-16(27)13-3-2-12(5-23-13)28-6-14(20)21/h2-3,5,8,10-11,14H,4,6-7,9H2,1H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 ZPUSXGOIEYOOMF-ADWYPQAOSA-N 223350 US9315520, 37::US9605007, Example 37::US9744173, Example 37 Beta-secretase 1 Homo sapiens 485 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435462 336285225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662962 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C(F)(F)F)cs1 InChI=1S/C17H18F3N5O3S2/c1-7-3-9-4-30-15(21)25-16(9,6-27-7)14-24-10(5-29-14)23-13(26)11-12(17(18,19)20)28-8(2)22-11/h5,7,9H,3-4,6H2,1-2H3,(H2,21,25)(H,23,26)/t7-,9-,16-/m0/s1 ASVFESAYRASUCE-VNNFXVPXSA-N 223351 US9315520, 38::US9605007, Example 38::US9744173, Example 38 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435358 336285226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662963 CCc1cc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 InChI=1S/C18H24N6O2S2/c1-4-12-6-13(24(3)23-12)15(25)20-14-8-27-16(21-14)18-9-26-10(2)5-11(18)7-28-17(19)22-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,19,22)(H,20,25)/t10-,11-,18-/m0/s1 CGRINOQDQPTZNQ-FHGNATFXSA-N 223352 US9315520, 39::US9605007, Example 39::US9744173, Example 39 Beta-secretase 1 Homo sapiens 369 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435438 336285227 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662964 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(C)n2)cs1 InChI=1S/C15H19N7O2S2/c1-8-3-9-5-26-14(16)20-15(9,7-24-8)13-19-11(6-25-13)18-12(23)10-4-17-22(2)21-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,16,20)(H,18,23)/t8-,9-,15-/m0/s1 ZYZWEQGTOMZDFU-UTEYVOQOSA-N 223353 US9315520, 40::US9605007, Example 40::US9744173, Example 40 Beta-secretase 1 Homo sapiens 134 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435558 336285228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662965 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)nn2C)cs1 InChI=1S/C17H22N6O2S2/c1-9-4-12(23(3)22-9)14(24)19-13-7-26-15(20-13)17-8-25-10(2)5-11(17)6-27-16(18)21-17/h4,7,10-11H,5-6,8H2,1-3H3,(H2,18,21)(H,19,24)/t10-,11-,17-/m0/s1 BFNZIGAGWOZILF-DINDLPBHSA-N 223354 US9315520, 41::US9605007, Example 41::US9744173, Example 41 Beta-secretase 1 Homo sapiens 364 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435589 336285229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662966 CCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O3S2/c1-3-13-19-11(5-24-13)14(23)20-12-7-26-15(21-12)17-8-25-9(2)4-10(17)6-27-16(18)22-17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,22)(H,20,23)/t9-,10-,17-/m0/s1 XCOKYPIHKSJERY-YMNVWFMLSA-N 223355 US9315520, 42::US9605007, Example 42::US9744173, Example 42 Beta-secretase 1 Homo sapiens 341 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435425 336285230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662967 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncn(C)n2)cs1 InChI=1S/C15H19N7O2S2/c1-8-3-9-4-26-14(16)20-15(9,6-24-8)13-19-10(5-25-13)18-12(23)11-17-7-22(2)21-11/h5,7-9H,3-4,6H2,1-2H3,(H2,16,20)(H,18,23)/t8-,9-,15-/m0/s1 XSHMGCWZBJZOJD-UTEYVOQOSA-N 223356 US9315520, 43::US9605007, Example 43::US9744173, Example 43 Beta-secretase 1 Homo sapiens 435 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435544 336285231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662968 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(C)(F)F)cn2)cs1 InChI=1S/C19H21F2N5O3S2/c1-10-5-11-7-31-17(22)26-19(11,9-28-10)16-25-14(8-30-16)24-15(27)13-4-3-12(6-23-13)29-18(2,20)21/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 VDCUDRLINVFMIC-ADWYPQAOSA-N 223357 US9315520, 44::US9605007, Example 44::US9744173, Example 44 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435495 336285232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662969 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O3S2/c1-9-3-12(29-17(20)21)5-23-14(9)15(27)24-13-7-30-16(25-13)19-8-28-10(2)4-11(19)6-31-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 CHAGAOAUIITKPC-ADWYPQAOSA-N 223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435524 336285273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662970 COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)n1 InChI=1S/C18H22N6O3S2/c1-9-4-11-6-29-17(19)24-18(11,8-27-9)16-23-12(7-28-16)22-15(25)14-10(2)21-13(26-3)5-20-14/h5,7,9,11H,4,6,8H2,1-3H3,(H2,19,24)(H,22,25)/t9-,11-,18-/m0/s1 SXWPACCPHBMXRP-DNTLEWNLSA-N 223359 US9315520, 46::US9605007, Example 46::US9744173, Example 46 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435507 336285234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662971 COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)c1 InChI=1S/C19H23N5O3S2/c1-10-4-13(26-3)6-21-15(10)16(25)22-14-8-28-17(23-14)19-9-27-11(2)5-12(19)7-29-18(20)24-19/h4,6,8,11-12H,5,7,9H2,1-3H3,(H2,20,24)(H,22,25)/t11-,12-,19-/m0/s1 NIJBHFCCBZSVIL-ZKTNFTSUSA-N 223360 US9315520, 47::US9605007, Example 47::US9744173, Example 47 Beta-secretase 1 Homo sapiens 101 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435595 336285235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662972 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)nc2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-11-6-30-17(21)25-18(11,8-27-9)15-24-12(7-29-15)23-14(26)10-2-3-13(22-5-10)28-16(19)20/h2-3,5,7,9,11,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,11-,18-/m0/s1 FHBJDCALKCDUTG-DNTLEWNLSA-N 223361 US9315520, 48::US9605007, Example 48::US9744173, Example 48 Beta-secretase 1 Homo sapiens 232 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223361&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435584 336285236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662973 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(C)n2)cs1 InChI=1S/C16H19N5O3S2/c1-8-3-10-5-26-15(17)21-16(10,7-24-8)14-20-12(6-25-14)19-13(22)11-4-23-9(2)18-11/h4,6,8,10H,3,5,7H2,1-2H3,(H2,17,21)(H,19,22)/t8-,10-,16-/m0/s1 GBRGCYPLTRHZCZ-ACZUWMGVSA-N 223362 US9315520, 49::US9605007, Example 49::US9744173, Example 49 Beta-secretase 1 Homo sapiens 103 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223362&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435456 336285237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662974 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C(F)(F)F)cs1 InChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)24-15(8,6-27-7)13-23-10(5-28-13)22-11(25)9-3-26-12(21-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,24)(H,22,25)/t7-,8-,15-/m0/s1 OFGNUYLKKKCTPY-VQLIFVOLSA-N 223363 US9315520, 50::US9605007, Example 50::US9744173, Example 50 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435594 336285238 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662975 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)no2)cs1 InChI=1S/C15H18N6O3S2/c1-7-3-9-4-26-14(16)20-15(9,6-23-7)13-19-10(5-25-13)18-11(22)12-17-8(2)21-24-12/h5,7,9H,3-4,6H2,1-2H3,(H2,16,20)(H,18,22)/t7-,9-,15-/m0/s1 AQIUHWLUHZEXFK-UHCFIKNESA-N 223364 US9315520, 51::US9605007, Example 51::US9744173, Example 51 Beta-secretase 1 Homo sapiens 98.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435569 336285239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662976 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2noc(C)n2)cs1 InChI=1S/C15H18N6O3S2/c1-7-3-9-4-26-14(16)20-15(9,6-23-7)13-19-10(5-25-13)18-12(22)11-17-8(2)24-21-11/h5,7,9H,3-4,6H2,1-2H3,(H2,16,20)(H,18,22)/t7-,9-,15-/m0/s1 YZIWNCOTCWRMSQ-UHCFIKNESA-N 223365 US9315520, 52::US9605007, Example 52::US9744173, Example 52 Beta-secretase 1 Homo sapiens 91.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435517 336285240 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662977 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C)cs1 InChI=1S/C17H21N5O3S2/c1-8-4-11-5-27-16(18)22-17(11,7-24-8)15-21-12(6-26-15)20-14(23)13-9(2)25-10(3)19-13/h6,8,11H,4-5,7H2,1-3H3,(H2,18,22)(H,20,23)/t8-,11-,17-/m0/s1 AZQXJBAPDQNPHK-UUFZHILXSA-N 223366 US9315520, 53::US9605007, Example 53::US9744173, Example 53 Beta-secretase 1 Homo sapiens 65.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435553 336285241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662978 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC3CC3)cn2)cs1 InChI=1S/C20H24N6O3S2/c1-11-4-13-8-31-19(21)26-20(13,10-29-11)18-25-15(9-30-18)24-17(27)14-5-23-16(6-22-14)28-7-12-2-3-12/h5-6,9,11-13H,2-4,7-8,10H2,1H3,(H2,21,26)(H,24,27)/t11-,13-,20-/m0/s1 NTZLXCBNRLXSKA-LOOLNKMNSA-N 223367 US9315520, 54::US9605007, Example 54::US9744173, Example 54 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435405 336285242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662979 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC3CC3)cn2)cs1 InChI=1S/C19H22N6O3S2/c1-10-4-11-7-30-18(20)25-19(11,9-27-10)17-24-14(8-29-17)23-16(26)13-5-22-15(6-21-13)28-12-2-3-12/h5-6,8,10-12H,2-4,7,9H2,1H3,(H2,20,25)(H,23,26)/t10-,11-,19-/m0/s1 PXDXKVAQKOIJDD-ADWYPQAOSA-N 223368 US9315520, 55::US9605007, Example 55::US9744173, Example 55 Beta-secretase 1 Homo sapiens 519 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435356 336285243 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662980 C[C@@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H23FN6O3S2/c1-10(20)6-28-15-5-22-13(4-23-15)16(27)24-14-8-30-17(25-14)19-9-29-11(2)3-12(19)7-31-18(21)26-19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H2,21,26)(H,24,27)/t10-,11+,12+,19+/m1/s1 WFZJVMNFHPJIGJ-FAQIYOQMSA-N 223369 US9315520, 56::US9605007, Example 56::US9744173, Example 56 Beta-secretase 1 Homo sapiens 360 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435448 336285244 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662981 C[C@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H23FN6O3S2/c1-10(20)6-28-15-5-22-13(4-23-15)16(27)24-14-8-30-17(25-14)19-9-29-11(2)3-12(19)7-31-18(21)26-19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H2,21,26)(H,24,27)/t10-,11-,12-,19-/m0/s1 WFZJVMNFHPJIGJ-DEFUNYHZSA-N 223370 US9315520, 57::US9744173, Example 57 Beta-secretase 1 Homo sapiens 372 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223370&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435354 336285245 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662982 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(C)(F)F)cn2)cs1 InChI=1S/C19H22F2N6O3S2/c1-10-3-11-6-32-17(22)27-19(11,9-29-10)16-26-13(7-31-16)25-15(28)12-4-24-14(5-23-12)30-8-18(2,20)21/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H2,22,27)(H,25,28)/t10-,11-,19-/m0/s1 HWYDXAVLRPSTHY-ADWYPQAOSA-N 223371 US9315520, 58::US9605007, Example 58::US9744173, Example 58 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435394 336285246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662983 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2oc(C)nc2C)cs1 InChI=1S/C17H21N5O3S2/c1-8-4-11-5-27-16(18)22-17(11,7-24-8)15-21-12(6-26-15)20-14(23)13-9(2)19-10(3)25-13/h6,8,11H,4-5,7H2,1-3H3,(H2,18,22)(H,20,23)/t8-,11-,17-/m0/s1 PJMDEFSXAQKKNU-UUFZHILXSA-N 336553 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 59 Beta-secretase 1 Homo sapiens 740 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435386 384988683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662984 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nc2C(F)(F)F)cs1 InChI=1S/C17H19F3N6O2S2/c1-8-3-9-5-30-15(21)24-16(9,7-28-8)14-23-11(6-29-14)22-13(27)10-4-26(2)25-12(10)17(18,19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H2,21,24)(H,22,27)/t8-,9-,16-/m0/s1 WSIXANPYMOOJSE-BEPCFFQHSA-N 336554 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 60 Beta-secretase 1 Homo sapiens 3840 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435576 384988684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662985 CC(C)n1cnc(c1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H24N6O2S2/c1-10(2)24-5-13(20-9-24)15(25)21-14-7-27-16(22-14)18-8-26-11(3)4-12(18)6-28-17(19)23-18/h5,7,9-12H,4,6,8H2,1-3H3,(H2,19,23)(H,21,25)/t11-,12-,18-/m0/s1 FPVCCDXUQZIJKQ-PZROIBLQSA-N 336555 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 61 Beta-secretase 1 Homo sapiens 1830 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435467 384988685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662986 CC(C)Cc1cc(no1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H25N5O3S2/c1-10(2)4-13-6-14(24-27-13)16(25)21-15-8-28-17(22-15)19-9-26-11(3)5-12(19)7-29-18(20)23-19/h6,8,10-12H,4-5,7,9H2,1-3H3,(H2,20,23)(H,21,25)/t11-,12-,19-/m0/s1 RONGFOZZCCZHJR-ZKTNFTSUSA-N 336556 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 62 Beta-secretase 1 Homo sapiens 9690 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435563 384988686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662987 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(C)c2)cs1 InChI=1S/C16H20N6O2S2/c1-9-3-11-6-26-15(17)21-16(11,8-24-9)14-20-12(7-25-14)19-13(23)10-4-18-22(2)5-10/h4-5,7,9,11H,3,6,8H2,1-2H3,(H2,17,21)(H,19,23)/t9-,11-,16-/m0/s1 FLSYKADZRPHBBY-QEKSWQHZSA-N 336557 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 63 Beta-secretase 1 Homo sapiens 3940 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435530 384988687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662988 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)on2)cs1 InChI=1S/C16H19N5O3S2/c1-8-3-10-5-26-15(17)20-16(10,7-23-8)14-19-12(6-25-14)18-13(22)11-4-9(2)24-21-11/h4,6,8,10H,3,5,7H2,1-2H3,(H2,17,20)(H,18,22)/t8-,10-,16-/m0/s1 CIQZEKVVKGDGEG-ACZUWMGVSA-N 336558 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 64 Beta-secretase 1 Homo sapiens 2620 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435481 384988688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662989 CC(C)Cc1cc(nn1C)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H28N6O2S2/c1-11(2)5-14-7-15(25-26(14)4)17(27)22-16-9-29-18(23-16)20-10-28-12(3)6-13(20)8-30-19(21)24-20/h7,9,11-13H,5-6,8,10H2,1-4H3,(H2,21,24)(H,22,27)/t12-,13-,20-/m0/s1 KIDCVTNWJYBYFJ-QAJFTPDKSA-N 336559 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 65 Beta-secretase 1 Homo sapiens 51000 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435606 384988689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662990 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccncn2)cs1 InChI=1S/C16H18N6O2S2/c1-9-4-10-5-26-15(17)22-16(10,7-24-9)14-21-12(6-25-14)20-13(23)11-2-3-18-8-19-11/h2-3,6,8-10H,4-5,7H2,1H3,(H2,17,22)(H,20,23)/t9-,10-,16-/m0/s1 PXWFEBPIVDFJNU-PUTJDCORSA-N 336560 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 66 Beta-secretase 1 Homo sapiens 575 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435522 384988690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662991 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)no2)cs1 InChI=1S/C16H19N5O3S2/c1-8-3-11(24-21-8)13(22)18-12-6-25-14(19-12)16-7-23-9(2)4-10(16)5-26-15(17)20-16/h3,6,9-10H,4-5,7H2,1-2H3,(H2,17,20)(H,18,22)/t9-,10-,16-/m0/s1 GBCMWKCOVLVKAA-PUTJDCORSA-N 336561 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 67 Beta-secretase 1 Homo sapiens 5040 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435503 384988691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662992 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(C)cn2)cs1 InChI=1S/C17H20N6O2S2/c1-9-4-20-12(5-19-9)14(24)21-13-7-26-15(22-13)17-8-25-10(2)3-11(17)6-27-16(18)23-17/h4-5,7,10-11H,3,6,8H2,1-2H3,(H2,18,23)(H,21,24)/t10-,11-,17-/m0/s1 RVLGYTRATZMUDO-DINDLPBHSA-N 336562 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 68 Beta-secretase 1 Homo sapiens 2110 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435385 384988692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662993 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc3CCCn3n2)cs1 InChI=1S/C18H22N6O2S2/c1-10-5-11-7-28-17(19)22-18(11,9-26-10)16-21-14(8-27-16)20-15(25)13-6-12-3-2-4-24(12)23-13/h6,8,10-11H,2-5,7,9H2,1H3,(H2,19,22)(H,20,25)/t10-,11-,18-/m0/s1 HFWGFZWZOIDXSR-FHGNATFXSA-N 336563 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 69 Beta-secretase 1 Homo sapiens 6200 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435607 384988693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662994 CC(C)c1cc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 InChI=1S/C19H26N6O2S2/c1-10(2)13-6-14(25(4)24-13)16(26)21-15-8-28-17(22-15)19-9-27-11(3)5-12(19)7-29-18(20)23-19/h6,8,10-12H,5,7,9H2,1-4H3,(H2,20,23)(H,21,26)/t11-,12-,19-/m0/s1 NLXQVVUOVUDGPI-ZKTNFTSUSA-N 336564 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 70 Beta-secretase 1 Homo sapiens 10400 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435461 384988694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662995 CCc1cc(on1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O3S2/c1-3-11-5-12(25-22-11)14(23)19-13-7-26-15(20-13)17-8-24-9(2)4-10(17)6-27-16(18)21-17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,21)(H,19,23)/t9-,10-,17-/m0/s1 FNRRGXMDMGRGGI-YMNVWFMLSA-N 336565 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 71 Beta-secretase 1 Homo sapiens 9260 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435536 384988695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662996 CCn1cc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H22N6O2S2/c1-3-23-6-11(5-19-23)14(24)20-13-8-26-15(21-13)17-9-25-10(2)4-12(17)7-27-16(18)22-17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,18,22)(H,20,24)/t10-,12-,17-/m0/s1 LLDQISFZVVPSKH-ZMNCSTGQSA-N 336566 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 72 Beta-secretase 1 Homo sapiens 7480 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435613 384988696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662997 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)n(C)n2)cs1 InChI=1S/C17H22N6O2S2/c1-9-4-12(22-23(9)3)14(24)19-13-7-26-15(20-13)17-8-25-10(2)5-11(17)6-27-16(18)21-17/h4,7,10-11H,5-6,8H2,1-3H3,(H2,18,21)(H,19,24)/t10-,11-,17-/m0/s1 AVZBGLMNMNRZIT-DINDLPBHSA-N 336567 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 73 Beta-secretase 1 Homo sapiens 12400 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435469 384988697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662998 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncnn2C)cs1 InChI=1S/C15H19N7O2S2/c1-8-3-9-4-26-14(16)21-15(9,6-24-8)13-20-10(5-25-13)19-12(23)11-17-7-18-22(11)2/h5,7-9H,3-4,6H2,1-2H3,(H2,16,21)(H,19,23)/t8-,9-,15-/m0/s1 RHEXMKAPUVMCJM-UTEYVOQOSA-N 336568 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 74 Beta-secretase 1 Homo sapiens 4560 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435473 384988698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 662999 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)cn2)cs1 InChI=1S/C16H20N6O2S2/c1-9-3-10-5-26-15(17)21-16(10,7-24-9)14-20-12(6-25-14)19-13(23)11-4-22(2)8-18-11/h4,6,8-10H,3,5,7H2,1-2H3,(H2,17,21)(H,19,23)/t9-,10-,16-/m0/s1 NPGXSCFUAULWBJ-PUTJDCORSA-N 336569 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 75 Beta-secretase 1 Homo sapiens 18200 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435564 384988699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663000 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nn2)cs1 InChI=1S/C15H19N7O2S2/c1-8-3-9-5-26-14(16)19-15(9,7-24-8)13-18-11(6-25-13)17-12(23)10-4-22(2)21-20-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,16,19)(H,17,23)/t8-,9-,15-/m0/s1 ICLDUMUTESAFQC-UTEYVOQOSA-N 336570 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 76 Beta-secretase 1 Homo sapiens 28100 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435497 384988700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663001 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccon2)cs1 InChI=1S/C15H17N5O3S2/c1-8-4-9-5-25-14(16)19-15(9,7-22-8)13-18-11(6-24-13)17-12(21)10-2-3-23-20-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,16,19)(H,17,21)/t8-,9-,15-/m0/s1 OFIOBUSIAWOIEX-UTEYVOQOSA-N 336571 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 77 Beta-secretase 1 Homo sapiens 777 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435596 384988701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663002 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CC(F)(F)C2)cs1 InChI=1S/C16H20F2N4O2S2/c1-8-2-10-5-26-14(19)22-16(10,7-24-8)13-21-11(6-25-13)20-12(23)9-3-15(17,18)4-9/h6,8-10H,2-5,7H2,1H3,(H2,19,22)(H,20,23)/t8-,10-,16-/m0/s1 LZHZISYSJQHIJA-ACZUWMGVSA-N 336572 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 78 Beta-secretase 1 Homo sapiens 1490 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435418 384988702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663003 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncccn2)cs1 InChI=1S/C16H18N6O2S2/c1-9-5-10-6-26-15(17)22-16(10,8-24-9)14-21-11(7-25-14)20-13(23)12-18-3-2-4-19-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,17,22)(H,20,23)/t9-,10-,16-/m0/s1 QYAIWFZNAKNPKY-PUTJDCORSA-N 336573 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 79 Beta-secretase 1 Homo sapiens 1080 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435492 384988703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663004 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(c2)C2CC2)cs1 InChI=1S/C18H22N6O2S2/c1-10-4-12-7-28-17(19)23-18(12,9-26-10)16-22-14(8-27-16)21-15(25)11-5-20-24(6-11)13-2-3-13/h5-6,8,10,12-13H,2-4,7,9H2,1H3,(H2,19,23)(H,21,25)/t10-,12-,18-/m0/s1 WXZKFRXDHNGWPE-RSNWOKGLSA-N 336574 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 80 Beta-secretase 1 Homo sapiens 8070 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435512 384988704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663005 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(Cl)n(C)n2)cs1 InChI=1S/C16H19ClN6O2S2/c1-8-3-9-5-27-15(18)21-16(9,7-25-8)14-20-12(6-26-14)19-13(24)10-4-11(17)23(2)22-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,18,21)(H,19,24)/t8-,9-,16-/m0/s1 DKLUJYYJLVYPHL-BEPCFFQHSA-N 336575 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 81 Beta-secretase 1 Homo sapiens 3380 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435565 384988705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663006 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C2CC2)cs1 InChI=1S/C19H22N6O2S2/c1-10-4-12-7-29-18(20)25-19(12,9-27-10)17-24-15(8-28-17)23-16(26)14-6-21-13(5-22-14)11-2-3-11/h5-6,8,10-12H,2-4,7,9H2,1H3,(H2,20,25)(H,23,26)/t10-,12-,19-/m0/s1 RFUMLYLKYQXOPK-DKHZXNSXSA-N 336576 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 82 Beta-secretase 1 Homo sapiens 1080 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435612 384988706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663007 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(c2)C(F)F)cs1 InChI=1S/C16H18F2N6O2S2/c1-8-2-10-5-28-15(19)23-16(10,7-26-8)13-22-11(6-27-13)21-12(25)9-3-20-24(4-9)14(17)18/h3-4,6,8,10,14H,2,5,7H2,1H3,(H2,19,23)(H,21,25)/t8-,10-,16-/m0/s1 NWEMGDSSJNZOBN-ACZUWMGVSA-N 336577 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 83 Beta-secretase 1 Homo sapiens 671 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435484 384988707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663008 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C2CC2)cs1 InChI=1S/C18H22N6O2S2/c1-10-6-11-7-28-17(19)22-18(11,9-26-10)16-21-14(8-27-16)20-15(25)13-4-5-24(23-13)12-2-3-12/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,19,22)(H,20,25)/t10-,11-,18-/m0/s1 HZGLGJXZLAZTTP-FHGNATFXSA-N 336578 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 84 Beta-secretase 1 Homo sapiens 1660 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435432 384988708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663009 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccnn2C2CC2)cs1 InChI=1S/C18H22N6O2S2/c1-10-6-11-7-28-17(19)23-18(11,9-26-10)16-22-14(8-27-16)21-15(25)13-4-5-20-24(13)12-2-3-12/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,19,23)(H,21,25)/t10-,11-,18-/m0/s1 LDANGPADBQPDMH-FHGNATFXSA-N 336579 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 85 Beta-secretase 1 Homo sapiens 4240 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435494 384988709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663010 CC(C)c1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H23N5O3S2/c1-9(2)15-20-12(5-25-15)14(24)21-13-7-27-16(22-13)18-8-26-10(3)4-11(18)6-28-17(19)23-18/h5,7,9-11H,4,6,8H2,1-3H3,(H2,19,23)(H,21,24)/t10-,11-,18-/m0/s1 GQLFTOKYLBAWJN-FHGNATFXSA-N 336580 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 86 Beta-secretase 1 Homo sapiens 16200 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435508 384988710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663011 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC(F)F)n2)cs1 InChI=1S/C17H20F2N6O2S2/c1-9-4-10-6-29-16(20)23-17(10,8-27-9)15-22-13(7-28-15)21-14(26)11-2-3-25(24-11)5-12(18)19/h2-3,7,9-10,12H,4-6,8H2,1H3,(H2,20,23)(H,21,26)/t9-,10-,17-/m0/s1 VLPCCGAGIGLCDG-YMNVWFMLSA-N 223372 US9315520, 87::US9605007, Example 87::US9744173, Example 87 Beta-secretase 1 Homo sapiens 398 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435578 336285247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663012 COCCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H24N6O3S2/c1-11-7-12-8-29-17(19)22-18(12,10-27-11)16-21-14(9-28-16)20-15(25)13-3-4-24(23-13)5-6-26-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1 VXUZLGFPTHMPDO-PZROIBLQSA-N 223373 US9315520, 88::US9605007, Example 88::US9744173, Example 88 Beta-secretase 1 Homo sapiens 418 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435400 336285248 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663013 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC#C)n2)cs1 InChI=1S/C18H20N6O2S2/c1-3-5-24-6-4-13(23-24)15(25)20-14-9-27-16(21-14)18-10-26-11(2)7-12(18)8-28-17(19)22-18/h1,4,6,9,11-12H,5,7-8,10H2,2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1 NSZZOQRTNRDMDA-PZROIBLQSA-N 223374 US9315520, 89::US9605007, Example 89::US9744173, Example 92 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435537 336285249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663014 COCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H21N5O4S2/c1-9-3-10-6-28-16(18)22-17(10,8-26-9)15-21-12(7-27-15)20-14(23)11-4-25-13(19-11)5-24-2/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,18,22)(H,20,23)/t9-,10-,17-/m0/s1 ZYIJHQUUGUPTRV-YMNVWFMLSA-N 223375 US9315520, 90::US9605007, Example 90::US9744173, Example 90 Beta-secretase 1 Homo sapiens 175 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435426 336285250 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663015 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CC(F)(F)F)n2)cs1 InChI=1S/C17H18F3N5O3S2/c1-8-2-9-5-30-15(21)25-16(9,7-28-8)14-24-11(6-29-14)23-13(26)10-4-27-12(22-10)3-17(18,19)20/h4,6,8-9H,2-3,5,7H2,1H3,(H2,21,25)(H,23,26)/t8-,9-,16-/m0/s1 MXMJZWBLZHRJJU-BEPCFFQHSA-N 223376 US9315520, 91::US9605007, Example 91::US9744173, Example 91 Beta-secretase 1 Homo sapiens 215 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435499 336285251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663016 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC#C)n2)cs1 InChI=1S/C18H20N6O2S2/c1-3-5-24-6-4-13(23-24)15(25)20-14-9-27-16(21-14)18-10-26-11(2)7-12(18)8-28-17(19)22-18/h1,4,6,9,11-12H,5,7-8,10H2,2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1 NSZZOQRTNRDMDA-PZROIBLQSA-N 223374 US9315520, 89::US9605007, Example 89::US9744173, Example 92 Beta-secretase 1 Homo sapiens 82.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435537 336285249 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663017 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CCC2)cs1 InChI=1S/C16H22N4O2S2/c1-9-5-11-6-24-15(17)20-16(11,8-22-9)14-19-12(7-23-14)18-13(21)10-3-2-4-10/h7,9-11H,2-6,8H2,1H3,(H2,17,20)(H,18,21)/t9-,11-,16-/m0/s1 MGOMWLLZKHEFEX-QEKSWQHZSA-N 223378 US9315520, 93::US9605007, Example 93::US9744173, Example 93 Beta-secretase 1 Homo sapiens 376 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435545 336285253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663018 CC#CCOc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C21H23N5O3S2/c1-3-4-7-28-15-5-6-16(23-9-15)18(27)24-17-11-30-19(25-17)21-12-29-13(2)8-14(21)10-31-20(22)26-21/h5-6,9,11,13-14H,7-8,10,12H2,1-2H3,(H2,22,26)(H,24,27)/t13-,14-,21-/m0/s1 OPGYDARCLCTRIU-RXSFTSLZSA-N 223379 US9315520, 94::US9605007, Example 94::US9744173, Example 94 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435625 336285254 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663019 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(co2)C(F)F)cs1 InChI=1S/C16H17F2N5O3S2/c1-7-2-8-4-28-15(19)23-16(8,6-26-7)14-22-10(5-27-14)21-12(24)13-20-9(3-25-13)11(17)18/h3,5,7-8,11H,2,4,6H2,1H3,(H2,19,23)(H,21,24)/t7-,8-,16-/m0/s1 AUFMLGTWSVZIJK-UFIJUMAVSA-N 223380 US9315520, 95::US9605007, Example 95::US9744173, Example 95 Beta-secretase 1 Homo sapiens 75.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435583 336285255 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663020 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 InChI=1S/C17H20F2N6O2S2/c1-8-4-25(15(18)19)24-12(8)13(26)21-11-6-28-14(22-11)17-7-27-9(2)3-10(17)5-29-16(20)23-17/h4,6,9-10,15H,3,5,7H2,1-2H3,(H2,20,23)(H,21,26)/t9-,10-,17-/m0/s1 NZUIPBJGYCNZHU-YMNVWFMLSA-N 223381 US9315520, 96::US9605007, Example 96::US9744173, Example 96 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91971333 336285256 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663021 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cn2)cs1 InChI=1S/C17H18F2N6O3S2/c1-8-2-9-5-30-16(20)25-17(9,7-27-8)14-24-11(6-29-14)23-13(26)12-21-3-10(4-22-12)28-15(18)19/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 FIYXMKDQPHXQOF-GSRNSYJJSA-N 223382 US9315520, 97::US9605007, Example 97::US9744173, Example 97 Beta-secretase 1 Homo sapiens 177 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435610 336285257 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663022 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)nc2C)cs1 InChI=1S/C18H20F2N6O3S2/c1-8-3-10-5-31-17(21)26-18(10,7-28-8)15-25-11(6-30-15)24-14(27)13-9(2)23-12(4-22-13)29-16(19)20/h4,6,8,10,16H,3,5,7H2,1-2H3,(H2,21,26)(H,24,27)/t8-,10-,18-/m0/s1 WAUMCGCMJMRYCC-HDESESHFSA-N 223383 US9315520, 98::US9605007, Example 98::US9744173, Example 98 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435374 336285258 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663023 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 InChI=1S/C18H18ClF2N5O3S2/c1-8-2-9-5-31-17(22)26-18(9,7-28-8)15-25-12(6-30-15)24-14(27)13-11(19)3-10(4-23-13)29-16(20)21/h3-4,6,8-9,16H,2,5,7H2,1H3,(H2,22,26)(H,24,27)/t8-,9-,18-/m0/s1 CJOUKFNXLBLNRB-ZMFHDSSTSA-N 223384 US9315520, 99::US9605007, Example 99::US9744173, Example 99 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435454 336285259 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663024 COCC(F)(F)c1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H22F2N6O3S2/c1-10-3-11-6-32-17(22)27-18(11,8-30-10)16-26-14(7-31-16)25-15(28)12-4-24-13(5-23-12)19(20,21)9-29-2/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H2,22,27)(H,25,28)/t10-,11-,18-/m0/s1 AVKVXUHPNSLPBM-FHGNATFXSA-N 223385 US9315520, 100::US9605007, Example 100::US9744173, Example 100 Beta-secretase 1 Homo sapiens 220 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435523 336285260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663025 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC#N)cn2)cs1 InChI=1S/C19H20N6O3S2/c1-11-6-12-8-30-18(21)25-19(12,10-28-11)17-24-15(9-29-17)23-16(26)14-3-2-13(7-22-14)27-5-4-20/h2-3,7,9,11-12H,5-6,8,10H2,1H3,(H2,21,25)(H,23,26)/t11-,12-,19-/m0/s1 FXILSRIGYPZINB-ZKTNFTSUSA-N 313045 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(cyanomethoxy)pyridine-2-carboxamide::US9605007, Example 101::US9744173, Example 101 Beta-secretase 1 Homo sapiens 447 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435468 383539980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663026 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(CF)oc2C)cs1 InChI=1S/C17H20FN5O3S2/c1-8-3-10-5-28-16(19)23-17(10,7-25-8)15-21-11(6-27-15)20-14(24)13-9(2)26-12(4-18)22-13/h6,8,10H,3-5,7H2,1-2H3,(H2,19,23)(H,20,24)/t8-,10-,17-/m0/s1 HXXFWDUJJHJVQL-UYDXONCASA-N 223387 US9315520, 102::US9605007, Example 102::US9744173, Example 102 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435502 336285262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663027 COCC(F)(F)c1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H23F2N5O3S2/c1-11-5-13-7-32-18(23)27-19(13,9-30-11)17-26-15(8-31-17)25-16(28)14-4-3-12(6-24-14)20(21,22)10-29-2/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,13-,19-/m0/s1 SWZKQMKJEIGPTJ-BLWXERESSA-N 223388 US9315520, 103::US9605007, Example 103::US9744173, Example 103 Beta-secretase 1 Homo sapiens 282 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435427 336285263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663028 CCC(F)(F)Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C20H23F2N5O3S2/c1-3-20(21,22)30-13-4-5-14(24-7-13)16(28)25-15-9-31-17(26-15)19-10-29-11(2)6-12(19)8-32-18(23)27-19/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12-,19-/m0/s1 AMSWUGMEUOIFFW-ZKTNFTSUSA-N 223389 US9315520, 104::US9605007, Example 104::US9744173, Example 104 Beta-secretase 1 Homo sapiens 308 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435378 336285264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663029 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C23CC(C2)C3)cs1 InChI=1S/C17H22N4O2S2/c1-9-2-11-6-25-15(18)21-17(11,8-23-9)14-20-12(7-24-14)19-13(22)16-3-10(4-16)5-16/h7,9-11H,2-6,8H2,1H3,(H2,18,21)(H,19,22)/t9-,10?,11-,16?,17-/m0/s1 APBYGJMZUBCXKD-GRKZCLODSA-N 223390 US9315520, 105::US9605007, Example 105::US9744173, Example 105 Beta-secretase 1 Homo sapiens 85.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435439 336285265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663030 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CC2)C#N)cs1 InChI=1S/C16H19N5O2S2/c1-9-4-10-5-25-14(18)21-16(10,8-23-9)13-20-11(6-24-13)19-12(22)15(7-17)2-3-15/h6,9-10H,2-5,8H2,1H3,(H2,18,21)(H,19,22)/t9-,10-,16-/m0/s1 FHNHDVVEABSWBD-PUTJDCORSA-N 223391 US9315520, 106::US9605007, Example 106::US9744173, Example 106 Beta-secretase 1 Homo sapiens 348 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435474 336285266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663031 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CC2)cs1 InChI=1S/C15H20N4O2S2/c1-8-4-10-5-23-14(16)19-15(10,7-21-8)13-18-11(6-22-13)17-12(20)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H2,16,19)(H,17,20)/t8-,10-,15-/m0/s1 OVLVGYMJKMQIIL-KPCOEVGBSA-N 223392 US9315520, 107::US9605007, Example 107::US9744173, Example 107 Beta-secretase 1 Homo sapiens 475 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435602 336285267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663032 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CCC2)C#N)cs1 InChI=1S/C17H21N5O2S2/c1-10-5-11-6-26-15(19)22-17(11,9-24-10)14-21-12(7-25-14)20-13(23)16(8-18)3-2-4-16/h7,10-11H,2-6,9H2,1H3,(H2,19,22)(H,20,23)/t10-,11-,17-/m0/s1 XZKSIVHILMPFLG-DINDLPBHSA-N 313052 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-cyanocyclobutanecarboxamide::US9605007, Example 108::US9744173, Example 108 Beta-secretase 1 Homo sapiens 94.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435627 383539981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663033 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(C)CCC2)cs1 InChI=1S/C17H24N4O2S2/c1-10-6-11-7-25-15(18)21-17(11,9-23-10)14-20-12(8-24-14)19-13(22)16(2)4-3-5-16/h8,10-11H,3-7,9H2,1-2H3,(H2,18,21)(H,19,22)/t10-,11-,17-/m0/s1 WJELMSNRYNVXCO-DINDLPBHSA-N 223394 US9315520, 109::US9605007, Example 109::US9744173, Example 109 Beta-secretase 1 Homo sapiens 461 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435449 336285269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663034 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1 JQUCWIWWWKZNCS-LESHARBVSA-N 312928 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide ::US9605007, Example 1::US9744173, Example 1 Beta-secretase 1 Homo sapiens 41.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435422 383539877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663035 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C24H22F2N6O4S2/c1-13-7-15-10-38-23(31-19(33)14-5-3-2-4-6-14)32-24(15,12-35-13)21-30-17(11-37-21)29-20(34)16-8-28-18(9-27-16)36-22(25)26/h2-6,8-9,11,13,15,22H,7,10,12H2,1H3,(H,29,34)(H,31,32,33)/t13-,15-,24-/m0/s1 TUOZDQRAUJQYNQ-WWDXNRJTSA-N 312929 N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyrazine-2-carboxamide ::US9605007, Example 2::US9744173, Example 2 Beta-secretase 1 Homo sapiens 73.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435478 383539878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663036 C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C24H22ClN5O3S2/c1-14-9-16-11-35-23(29-20(31)15-5-3-2-4-6-15)30-24(16,13-33-14)22-28-19(12-34-22)27-21(32)18-8-7-17(25)10-26-18/h2-8,10,12,14,16H,9,11,13H2,1H3,(H,27,32)(H,29,30,31)/t14-,16-,24-/m0/s1 KVJVCXGPNSNZGV-ZYXJOJAPSA-N 312930 N-{2-[(4a R, 6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-chloropyridine-2-carboxamide ::US9605007, Example 7::US9744173, Example 7 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435445 383539879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663037 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O3S2/c1-9-3-12(29-17(20)21)5-23-14(9)15(27)24-13-7-30-16(25-13)19-8-28-10(2)4-11(19)6-31-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 CHAGAOAUIITKPC-ADWYPQAOSA-N 223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435524 336285273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663038 C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1 InChI=1S/C18H21F2N5O3S2/c1-9-4-10-7-29-17(21)25-18(10,8-27-9)15-23-6-13(30-15)24-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5-6,9-10,16-17,25H,4,7-8,21H2,1H3,(H,24,26)/t9-,10-,17?,18-/m0/s1 QQVTVVAYLHDHSA-FFLIIVLRSA-N 336604 US9744173, Comparator 1 Beta-secretase 1 Homo sapiens >100.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138752742 384988734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663039 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H20F3N5O3S/c1-10-6-11-8-32-19(24)28-20(11,9-30-10)16-13(21)3-5-15(26-16)27-17(29)14-4-2-12(7-25-14)31-18(22)23/h2-5,7,10-11,18H,6,8-9H2,1H3,(H2,24,28)(H,26,27,29)/t10-,11-,20-/m0/s1 NCLSCERPSPVBHT-MKXJDEKUSA-N 223398 US9315520, Comparator 2::US9315520, Comparator 3::US9605007, Comparator 2::US9744173, Comparator 2 Beta-secretase 1 Homo sapiens 43.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441558 336285272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663040 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H21F3N4O3S/c1-11-6-12-9-32-20(25)28-21(12,10-30-11)15-7-13(2-4-16(15)22)27-18(29)17-5-3-14(8-26-17)31-19(23)24/h2-5,7-8,11-12,19H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t11-,12-,21-/m0/s1 ZRDISNFFMHLYBW-OABGYEMISA-N 312936 US9605007, Comparator 3::US9744173, Comparator 4 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441559 383539885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663041 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H21F3N4O3S/c1-11-6-12-9-32-20(25)28-21(12,10-30-11)15-7-13(2-4-16(15)22)27-18(29)17-5-3-14(8-26-17)31-19(23)24/h2-5,7-8,11-12,19H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t11-,12-,21-/m0/s1 ZRDISNFFMHLYBW-OABGYEMISA-N 312936 US9605007, Comparator 3::US9744173, Comparator 4 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441559 383539885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663042 C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C19H21N5O2S2/c1-11-4-13-8-28-18(21)24-19(13,10-26-11)16-5-14(9-27-16)23-17(25)15-3-2-12(6-20)7-22-15/h2-3,5,7,9,11,13,18,24H,4,8,10,21H2,1H3,(H,23,25)/t11-,13-,18?,19-/m0/s1 VYOMQWNABABLSL-FGDRGJRBSA-N 336608 US9744173, Comparator 5 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=336608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=336608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138752746 384988738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665039 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C20H25FN6O4S/c1-19(2)18(22)26-20(3,11-27(4)32(19,29)30)13-8-12(6-7-14(13)21)25-17(28)15-9-24-16(31-5)10-23-15/h6-10H,11H2,1-5H3,(H2,22,26)(H,25,28)/t20-/m0/s1 GKPYEIKDVUIKPL-FQEVSTJZSA-N 337532 US9745324, 1 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191786 384989580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665040 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C19H23F3N6O3S/c1-18(2)16(23)25-19(3,10-27(4)32(18,30)31)12-9-11(5-6-13(12)20)24-15(29)14-7-8-28(26-14)17(21)22/h5-9,17H,10H2,1-4H3,(H2,23,25)(H,24,29)/t19-/m0/s1 RRQYUFLADQWKPZ-IBGZPJMESA-N 337533 US9745324, 2 Beta-secretase 1 Homo sapiens 46.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191826 384989581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665041 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H23F2N5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m0/s1 XPELJAZCMWEMAK-FQEVSTJZSA-N 337534 US9745324, 3 Beta-secretase 1 Homo sapiens 54.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191827 384989582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665042 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H24F3N5O4S/c1-20(2)18(25)28-21(3,11-29(4)34(20,31)32)14-9-12(5-7-15(14)22)27-17(30)16-8-6-13(10-26-16)33-19(23)24/h5-10,19H,11H2,1-4H3,(H2,25,28)(H,27,30)/t21-/m0/s1 XRSLUCBLZBXPOE-NRFANRHFSA-N 337535 US9745324, 4 Beta-secretase 1 Homo sapiens 32.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191840 384989583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665043 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H23F4N5O3S/c1-19(2)18(26)29-20(3,11-30(4)34(19,32)33)14-9-13(6-7-15(14)22)28-17(31)16-8-5-12(10-27-16)21(23,24)25/h5-10H,11H2,1-4H3,(H2,26,29)(H,28,31)/t20-/m0/s1 HZYDPUNFVKBIJD-FQEVSTJZSA-N 337536 US9745324, 5 Beta-secretase 1 Homo sapiens 59.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191576 384989584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665044 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C21H26FN5O4S/c1-20(2)19(23)26-21(3,12-27(4)32(20,29)30)15-10-13(6-8-16(15)22)25-18(28)17-9-7-14(31-5)11-24-17/h6-11H,12H2,1-5H3,(H2,23,26)(H,25,28)/t21-/m0/s1 ZZCYFDMGPXKTBK-NRFANRHFSA-N 337537 US9745324, 6 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191597 384989585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665045 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H23ClFN5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m0/s1 MXCKMFIYOJFRSU-FQEVSTJZSA-N 337538 US9745324, 7 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191591 384989586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665046 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H23FN6O3S/c1-20(2)19(24)27-21(3,12-28(4)32(20,30)31)15-9-14(6-7-16(15)22)26-18(29)17-8-5-13(10-23)11-25-17/h5-9,11H,12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1 UGQYKHWIUUFYHK-NRFANRHFSA-N 337539 US9745324, 8 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191798 384989587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665047 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1 InChI=1S/C22H28FN5O4S/c1-13-9-15(32-6)11-25-18(13)19(29)26-14-7-8-17(23)16(10-14)22(4)12-28(5)33(30,31)21(2,3)20(24)27-22/h7-11H,12H2,1-6H3,(H2,24,27)(H,26,29)/t22-/m0/s1 GDBVKGOVAWMTDW-QFIPXVFZSA-N 337540 US9745324, 9 Beta-secretase 1 Homo sapiens 68.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191799 384989588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665048 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)n1 InChI=1S/C21H27FN6O4S/c1-12-17(24-10-16(25-12)32-6)18(29)26-13-7-8-15(22)14(9-13)21(4)11-28(5)33(30,31)20(2,3)19(23)27-21/h7-10H,11H2,1-6H3,(H2,23,27)(H,26,29)/t21-/m0/s1 SWYJBOWZXPOWJK-NRFANRHFSA-N 337541 US9745324, 10 Beta-secretase 1 Homo sapiens 62.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191800 384989589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665049 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C22H25FN6O3S/c1-13-8-14(10-24)11-26-18(13)19(30)27-15-6-7-17(23)16(9-15)22(4)12-29(5)33(31,32)21(2,3)20(25)28-22/h6-9,11H,12H2,1-5H3,(H2,25,28)(H,27,30)/t22-/m0/s1 ZAIXIEFCQRWQOJ-QFIPXVFZSA-N 337542 US9745324, 11 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191974 384989590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665050 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C21H24F4N6O4S/c1-19(2)18(26)30-20(3,10-31(4)36(19,33)34)13-7-12(5-6-14(13)22)29-17(32)15-8-28-16(9-27-15)35-11-21(23,24)25/h5-9H,10-11H2,1-4H3,(H2,26,30)(H,29,32)/t20-/m0/s1 WDHSGGPDVBFITH-FQEVSTJZSA-N 337543 US9745324, 12 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191978 384989591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665051 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnccn2)ccc1F InChI=1S/C19H23FN6O3S/c1-18(2)17(21)25-19(3,11-26(4)30(18,28)29)13-9-12(5-6-14(13)20)24-16(27)15-10-22-7-8-23-15/h5-10H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1 VZPUKBFHSNFBGU-IBGZPJMESA-N 337544 US9745324, 13 Beta-secretase 1 Homo sapiens 263 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191975 384989592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665052 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F InChI=1S/C21H26F2N6O4S/c1-20(2)19(24)28-21(3,12-29(4)34(20,31)32)14-9-13(5-6-15(14)23)27-18(30)16-10-26-17(11-25-16)33-8-7-22/h5-6,9-11H,7-8,12H2,1-4H3,(H2,24,28)(H,27,30)/t21-/m0/s1 VTHVQJKPWHSZCH-NRFANRHFSA-N 337545 US9745324, 14 Beta-secretase 1 Homo sapiens 52.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191554 384989593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665053 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2noc(C)n2)ccc1F InChI=1S/C18H23FN6O4S/c1-10-21-14(24-29-10)15(26)22-11-6-7-13(19)12(8-11)18(4)9-25(5)30(27,28)17(2,3)16(20)23-18/h6-8H,9H2,1-5H3,(H2,20,23)(H,22,26)/t18-/m0/s1 NTONXMSGUQQMOA-SFHVURJKSA-N 337546 US9745324, 15 Beta-secretase 1 Homo sapiens 153 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191556 384989594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665054 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F InChI=1S/C17H21FN6O3S2/c1-16(2)15(19)22-17(3,9-24(4)29(16,26)27)11-7-10(5-6-12(11)18)21-14(25)13-8-20-28-23-13/h5-8H,9H2,1-4H3,(H2,19,22)(H,21,25)/t17-/m0/s1 KDCAYAXRJBAPHC-KRWDZBQOSA-N 337547 US9745324, 16 Beta-secretase 1 Homo sapiens 64.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337547&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191555 384989595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665055 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccc(cc3n2)C#N)ccc1F InChI=1S/C23H24FN7O3S/c1-22(2)21(26)29-23(3,13-30(4)35(22,33)34)16-10-15(5-6-17(16)24)27-20(32)18-12-31-8-7-14(11-25)9-19(31)28-18/h5-10,12H,13H2,1-4H3,(H2,26,29)(H,27,32)/t23-/m0/s1 IOFUDMIDOAIIQQ-QHCPKHFHSA-N 337548 US9745324, 17 Beta-secretase 1 Homo sapiens 5633 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191589 384989596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665056 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(C)n2)ccc1F InChI=1S/C19H25FN6O3S/c1-18(2)17(21)23-19(3,11-26(5)30(18,28)29)13-10-12(6-7-14(13)20)22-16(27)15-8-9-25(4)24-15/h6-10H,11H2,1-5H3,(H2,21,23)(H,22,27)/t19-/m0/s1 KJAVVLJGSPBSOY-IBGZPJMESA-N 337549 US9745324, 18 Beta-secretase 1 Homo sapiens 271 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191594 384989597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665057 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)on2)ccc1F InChI=1S/C19H24FN5O4S/c1-11-8-15(24-29-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)/t19-/m0/s1 RQBOHGBVOMATEM-IBGZPJMESA-N 337550 US9745324, 19 Beta-secretase 1 Homo sapiens 1365 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191595 384989598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665058 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc3nc(C)oc3c2)ccc1F InChI=1S/C23H26FN5O4S/c1-13-26-18-9-6-14(10-19(18)33-13)20(30)27-15-7-8-17(24)16(11-15)23(4)12-29(5)34(31,32)22(2,3)21(25)28-23/h6-11H,12H2,1-5H3,(H2,25,28)(H,27,30)/t23-/m0/s1 FTQFJLGQCZCXLU-QHCPKHFHSA-N 337551 US9745324, 20 Beta-secretase 1 Homo sapiens 1140 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191601 384989599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665059 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccccn2)ccc1F InChI=1S/C20H24FN5O3S/c1-19(2)18(22)25-20(3,12-26(4)30(19,28)29)14-11-13(8-9-15(14)21)24-17(27)16-7-5-6-10-23-16/h5-11H,12H2,1-4H3,(H2,22,25)(H,24,27)/t20-/m0/s1 PVVATPZRYLBWOX-FQEVSTJZSA-N 337552 US9745324, 21 Beta-secretase 1 Homo sapiens 228 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191578 384989600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665060 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)no2)ccc1F InChI=1S/C19H24FN5O4S/c1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)/t19-/m0/s1 CCRXEAANBZZELD-IBGZPJMESA-N 337553 US9745324, 22 Beta-secretase 1 Homo sapiens 1691 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191600 384989601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665061 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1 ZCQWCFJFFRDJEI-FQEVSTJZSA-N 337554 US9745324, 23 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191593 384989602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665062 COCCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H27FN4O4S/c1-17(2)16(20)22-18(3,11-23(4)28(17,25)26)13-10-12(6-7-14(13)19)21-15(24)8-9-27-5/h6-7,10H,8-9,11H2,1-5H3,(H2,20,22)(H,21,24)/t18-/m0/s1 CZADHVWRUJKDKE-SFHVURJKSA-N 337555 US9745324, 24 Beta-secretase 1 Homo sapiens >9756 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191580 384989603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665063 COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C17H25FN4O4S/c1-16(2)15(19)21-17(3,10-22(4)27(16,24)25)12-8-11(6-7-13(12)18)20-14(23)9-26-5/h6-8H,9-10H2,1-5H3,(H2,19,21)(H,20,23)/t17-/m0/s1 CWJNLNWZGJJLAH-KRWDZBQOSA-N 337556 US9745324, 25 Beta-secretase 1 Homo sapiens 756 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191575 384989604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665064 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1F InChI=1S/C20H24F4N6O3S/c1-18(2)17(25)27-19(3,10-30(5)34(18,32)33)13-8-11(6-7-14(13)21)26-16(31)12-9-29(4)28-15(12)20(22,23)24/h6-9H,10H2,1-5H3,(H2,25,27)(H,26,31)/t19-/m0/s1 JGCCIOHXQCQXDV-IBGZPJMESA-N 337557 US9745324, 26 Beta-secretase 1 Homo sapiens 8790 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191583 384989605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665065 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F InChI=1S/C20H23FN6O3S2/c1-19(2)17(22)25-20(3,11-26(4)32(19,29)30)13-9-12(5-6-14(13)21)23-16(28)15-10-27-7-8-31-18(27)24-15/h5-10H,11H2,1-4H3,(H2,22,25)(H,23,28)/t20-/m0/s1 CPSLLDGDVQZDTC-FQEVSTJZSA-N 337558 US9745324, 27 Beta-secretase 1 Homo sapiens 285 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191596 384989606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665066 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F InChI=1S/C16H21F3N4O3S/c1-15(2)14(20)22-16(3,8-23(4)27(15,25)26)10-7-9(5-6-11(10)17)21-13(24)12(18)19/h5-7,12H,8H2,1-4H3,(H2,20,22)(H,21,24)/t16-/m0/s1 VZIXEBJOHCOXIN-INIZCTEOSA-N 337559 US9745324, 28 Beta-secretase 1 Homo sapiens 1200 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191590 384989607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665067 CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18+/m1/s1 PBQRDVLVFYCPCL-ZMZPIMSZSA-N 337560 US9745324, 29 Beta-secretase 1 Homo sapiens 4676 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191587 384989608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665068 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)CC2CC2)ccc1F InChI=1S/C19H27FN4O3S/c1-18(2)17(21)23-19(3,11-24(4)28(18,26)27)14-10-13(7-8-15(14)20)22-16(25)9-12-5-6-12/h7-8,10,12H,5-6,9,11H2,1-4H3,(H2,21,23)(H,22,25)/t19-/m0/s1 WBHPJNUIYLHJGA-IBGZPJMESA-N 337561 US9745324, 30 Beta-secretase 1 Homo sapiens >9756 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191579 384989609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665069 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H22F4N6O3S/c1-18(2)17(25)29-19(3,10-30(4)34(18,32)33)13-7-12(5-6-14(13)21)28-16(31)15-26-8-11(9-27-15)20(22,23)24/h5-9H,10H2,1-4H3,(H2,25,29)(H,28,31)/t19-/m0/s1 HVEBOLRHEPZBCQ-IBGZPJMESA-N 337562 US9745324, 31 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191592 384989610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665070 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2nc(C)oc2C)ccc1F InChI=1S/C20H26FN5O4S/c1-11-16(23-12(2)30-11)17(27)24-13-7-8-15(21)14(9-13)20(5)10-26(6)31(28,29)19(3,4)18(22)25-20/h7-9H,10H2,1-6H3,(H2,22,25)(H,24,27)/t20-/m0/s1 LSHFCSFBNFDSKV-FQEVSTJZSA-N 337563 US9745324, 32 Beta-secretase 1 Homo sapiens 165 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191793 384989611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665071 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C2CC2)ccc1F InChI=1S/C18H25FN4O3S/c1-17(2)16(20)22-18(3,10-23(4)27(17,25)26)13-9-12(7-8-14(13)19)21-15(24)11-5-6-11/h7-9,11H,5-6,10H2,1-4H3,(H2,20,22)(H,21,24)/t18-/m0/s1 RMULSANELBAHJW-SFHVURJKSA-N 337564 US9745324, 33 Beta-secretase 1 Homo sapiens 4352 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191789 384989612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665072 CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18-/m0/s1 PBQRDVLVFYCPCL-VOJFVSQTSA-N 337565 US9745324, 34 Beta-secretase 1 Homo sapiens 3057 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191791 384989613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665073 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F InChI=1S/C16H23FN4O3S/c1-10(22)19-11-6-7-13(17)12(8-11)16(4)9-21(5)25(23,24)15(2,3)14(18)20-16/h6-8H,9H2,1-5H3,(H2,18,20)(H,19,22)/t16-/m0/s1 KJLPAFZYFCPHIK-INIZCTEOSA-N 337566 US9745324, 35 Beta-secretase 1 Homo sapiens 5933 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191792 384989614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665074 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C23H26FN5O4S/c1-6-11-33-16-8-10-19(26-13-16)20(30)27-15-7-9-18(24)17(12-15)23(4)14-29(5)34(31,32)22(2,3)21(25)28-23/h1,7-10,12-13H,11,14H2,2-5H3,(H2,25,28)(H,27,30)/t23-/m0/s1 SNGQXTJFFFLIHV-QHCPKHFHSA-N 337567 US9745324, 36 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191788 384989615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665075 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H22F4N6O3S/c1-18(2)17(25)29-19(3,10-30(4)34(18,32)33)12-7-11(5-6-13(12)21)28-16(31)14-8-27-15(9-26-14)20(22,23)24/h5-9H,10H2,1-4H3,(H2,25,29)(H,28,31)/t19-/m0/s1 BPLBVDMFOILFGQ-IBGZPJMESA-N 337568 US9745324, 37 Beta-secretase 1 Homo sapiens 153 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191790 384989616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665076 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C21H25F2N5O4S/c1-20(2)19(24)27-21(3,11-28(4)33(20,30)31)15-9-13(5-7-16(15)23)26-18(29)17-8-6-14(10-25-17)32-12-22/h5-10H,11-12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1 FOUDLLGOFMGXMY-NRFANRHFSA-N 337569 US9745324, 38 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191850 384989617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665077 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H25FN6O4S/c1-6-9-33-18-12-25-17(11-26-18)19(30)27-14-7-8-16(23)15(10-14)22(4)13-29(5)34(31,32)21(2,3)20(24)28-22/h1,7-8,10-12H,9,13H2,2-5H3,(H2,24,28)(H,27,30)/t22-/m0/s1 IJKMXPBVUFGDLK-QFIPXVFZSA-N 337570 US9745324, 39 Beta-secretase 1 Homo sapiens 2.30 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91810755 384989618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665078 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(OCc2ccc(cc2)C#N)ccc1F InChI=1S/C22H25FN4O3S/c1-21(2)20(25)26-22(3,14-27(4)31(21,28)29)18-11-17(9-10-19(18)23)30-13-16-7-5-15(12-24)6-8-16/h5-11H,13-14H2,1-4H3,(H2,25,26)/t22-/m0/s1 YVSJEKPVYSNRAK-QFIPXVFZSA-N 337571 US9745324, 40 Beta-secretase 1 Homo sapiens 651 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191560 384989619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665079 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F InChI=1S/C23H24FN7O2S/c1-22(2)21(26)30-23(3,13-31(4)34(22,32)33)17-10-16(5-6-18(17)24)29-20-19-15(7-8-27-20)9-14(11-25)12-28-19/h5-10,12H,13H2,1-4H3,(H2,26,30)(H,27,29)/t23-/m0/s1 WGVQAMFIQGZETA-QHCPKHFHSA-N 337572 US9745324, 41 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191564 384989620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665080 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F InChI=1S/C22H24BrFN6O2S/c1-21(2)20(25)29-22(3,12-30(4)33(21,31)32)16-10-15(5-6-17(16)24)28-19-18-13(7-8-26-19)9-14(23)11-27-18/h5-11H,12H2,1-4H3,(H2,25,29)(H,26,28)/t22-/m0/s1 JVHCXUWSWJCXPZ-QFIPXVFZSA-N 337573 US9745324, 42 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191563 384989621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665081 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N3)nccc2c1 InChI=1S/C23H27FN6O3S/c1-22(2)21(25)29-23(3,13-30(4)34(22,31)32)17-11-15(6-7-18(17)24)28-20-19-14(8-9-26-20)10-16(33-5)12-27-19/h6-12H,13H2,1-5H3,(H2,25,29)(H,26,28)/t23-/m0/s1 RKYGTOUJCHJNJL-QHCPKHFHSA-N 337574 US9745324, 43 Beta-secretase 1 Homo sapiens 209 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191561 384989622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 665082 CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccn3ccnc23)ccc1F InChI=1S/C20H24FN7O2S/c1-19(2)18(22)26-20(3,12-27(4)31(19,29)30)14-11-13(5-6-15(14)21)25-16-17-24-8-10-28(17)9-7-23-16/h5-11H,12H2,1-4H3,(H2,22,26)(H,23,25)/t20-/m0/s1 WCZUZLNNJNMBJI-FQEVSTJZSA-N 337575 US9745324, 44 Beta-secretase 1 Homo sapiens 1351 US Patent 10.7270/Q2MS3VW8 aid1797077 US9745324 Dai, X; Cumming, JN; Scott, JD; Liu, H; Palani, A Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=337575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=337575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118191562 384989623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663043 NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C(F)(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H18F6N4O3S/c22-14-3-1-11(30-17(32)15-4-2-12(7-29-15)34-18(23)24)6-13(14)20-9-33-16(21(25,26)27)5-10(20)8-35-19(28)31-20/h1-4,6-7,10,16,18H,5,8-9H2,(H2,28,31)(H,30,32)/t10-,16+,20-/m0/s1 FLRLJQHWZJIQAA-OJTOOCJTSA-N 223413 US9315520, Comparator 6::US9605007, Comparator 6::US9744173, Comparator 6 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45278903 336285281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 663044 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClFN4O2S/c1-11-6-12-9-29-19(23)26-20(12,10-28-11)15-7-14(3-4-16(15)22)25-18(27)17-5-2-13(21)8-24-17/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,23,26)(H,25,27)/t11-,12-,20-/m0/s1 UOHXUSCZQJMWQO-PVUDRZGPSA-N 223358 US9315520, Comparator 7::US9605007, Comparator 7::US9744173, Comparator 7 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2K076CZ aid1797048 US9744173 Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45279589 336285233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676625 C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O4S/c1-9-4-10-6-27-17(21)25-18(10,8-28-9)15-24-13(7-30-15)23-14(26)12-3-2-11(5-22-12)29-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZKJMFDOWEFDDLR-RAALSFIWSA-N 342420 N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide ::US9771379, Example 1 Beta-secretase 1 Homo sapiens 214 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715607 385213144 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676626 C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 InChI=1S/C18H18ClF2N5O4S/c1-8-2-9-5-28-17(22)26-18(9,7-29-8)15-25-12(6-31-15)24-14(27)13-11(19)3-10(4-23-13)30-16(20)21/h3-4,6,8-9,16H,2,5,7H2,1H3,(H2,22,26)(H,24,27)/t8-,9-,18-/m0/s1 AEZISWKDLGFSFP-ZMFHDSSTSA-N 342421 N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-3-chloro-5-(difluoromethoxy)picolinamide ::US9771379, Example 2 Beta-secretase 1 Homo sapiens 123 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715600 385213145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676627 C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O4S/c1-9-3-12(30-17(20)21)5-23-14(9)15(27)24-13-7-31-16(25-13)19-8-29-10(2)4-11(19)6-28-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 HOLAUFFKYLOVMF-ADWYPQAOSA-N 342422 N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)-3-methylpicolinamide ::US9771379, Example 3 Beta-secretase 1 Homo sapiens 85.0 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715554 385213146 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676628 C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C19H21F2N5O4S/c1-10-6-11-4-5-28-18(22)26-19(11,9-29-10)16-25-14(8-31-16)24-15(27)13-3-2-12(7-23-13)30-17(20)21/h2-3,7-8,10-11,17H,4-6,9H2,1H3,(H2,22,26)(H,24,27)/t10-,11+,19-/m0/s1 BBIQEPPRROADEZ-QQKBFRNYSA-N 342423 N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetrahydro-4H-pyrano[3,4-d][1,3]oxazepin-9a(9H)-yl)thiazol-4-yl)-5-(difluoromethoxy)-3-methylpicolinamide (5) and N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetrahydro-4H-pyrano[3,4-d][1,3]oxazepin-9a(9H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide (4)::US9771379, Example 4 Beta-secretase 1 Homo sapiens 146 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715545 385213147 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676629 C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C20H23F2N5O4S/c1-10-5-13(31-18(21)22)7-24-15(10)16(28)25-14-8-32-17(26-14)20-9-30-11(2)6-12(20)3-4-29-19(23)27-20/h5,7-8,11-12,18H,3-4,6,9H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12+,20-/m0/s1 WEXHYPFPKMDMOE-ZBUHCNDUSA-N 342424 N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetrahydro-4H-pyrano[3,4-d][1,3]oxazepin-9a(9H)-yl)thiazol-4-yl)-5-(difluoromethoxy)-3-methylpicolinamide (5) and N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetrahydro-4H-pyrano[3,4-d][1,3]oxazepin-9a(9H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide (4)::US9771379, Example 5 Beta-secretase 1 Homo sapiens 71.0 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715587 385213148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676630 C[C@H]1C[C@H]2[C@@H](CF)OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C19H20F3N5O4S/c1-9-4-11-13(5-20)31-18(23)27-19(11,8-29-9)16-26-14(7-32-16)25-15(28)12-3-2-10(6-24-12)30-17(21)22/h2-3,6-7,9,11,13,17H,4-5,8H2,1H3,(H2,23,27)(H,25,28)/t9-,11-,13+,19-/m0/s1 HTDTVHMSLWTNIU-TZQADUHGSA-N 342425 N-(2-((4S,4aR,6S,8aR)-2-amino-4-(fluoromethyl)-6-methyl-4,4a,5,6-tetrahydro pyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide ::US9771379, Example 6 Beta-secretase 1 Homo sapiens 270 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715557 385213149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676631 C[C@H]1C[C@H]2[C@H](OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1)C(F)(F)F InChI=1S/C19H18F5N5O4S/c1-8-4-10-13(19(22,23)24)33-17(25)29-18(10,7-31-8)15-28-12(6-34-15)27-14(30)11-3-2-9(5-26-11)32-16(20)21/h2-3,5-6,8,10,13,16H,4,7H2,1H3,(H2,25,29)(H,27,30)/t8-,10-,13-,18-/m0/s1 OYZZAKTYLYUPAI-IZYWAFJSSA-N 342426 N-(2-((4S,4aR,6S,8aR)-2-amino-6-methyl-4-(trifluoromethyl)-4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide::US9771379, Example 7 Beta-secretase 1 Homo sapiens 112 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715552 385213150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676632 CC1(C)C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C19H21F2N5O4S/c1-18(2)5-10-7-28-17(22)26-19(10,9-29-18)15-25-13(8-31-15)24-14(27)12-4-3-11(6-23-12)30-16(20)21/h3-4,6,8,10,16H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,19-/m0/s1 YYMSVGMCLJGXKU-OVWNDWIMSA-N 342427 N-(2-((4aR,8aR)-2-Amino-6,6-dimethyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide ::US9771379, Example 8 Beta-secretase 1 Homo sapiens 610 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715573 385213151 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676633 Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC(C)(C)C[C@H]1COC(N)=N2 InChI=1S/C20H23F2N5O4S/c1-10-4-12(31-17(21)22)6-24-14(10)15(28)25-13-8-32-16(26-13)20-9-30-19(2,3)5-11(20)7-29-18(23)27-20/h4,6,8,11,17H,5,7,9H2,1-3H3,(H2,23,27)(H,25,28)/t11-,20-/m0/s1 MGUXFWJIHHQFOB-YBTHPKLGSA-N 342428 N-(2-((4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)-3-methylpicolinamide ::US9771379, Example 9 Beta-secretase 1 Homo sapiens 475 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715590 385213152 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676634 NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1 OQSIGQLVIQVSPX-OEODGHQXSA-N 342429 N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- chloropicolinamide::US9771379, Example 10b Beta-secretase 1 Homo sapiens 16700 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715558 385213153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676635 NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m0/s1 OQSIGQLVIQVSPX-XLNKKQEUSA-N 342430 N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- chloropicolinamide::US9771379, Example 10a Beta-secretase 1 Homo sapiens 310 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342430&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715555 385213154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676636 Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@@]12CO[C@@H](C[C@@H]1COC(N)=N2)C(F)(F)F InChI=1S/C19H18F5N5O4S/c1-8-2-10(33-16(20)21)4-26-13(8)14(30)27-12-6-34-15(28-12)18-7-32-11(19(22,23)24)3-9(18)5-31-17(25)29-18/h2,4,6,9,11,16H,3,5,7H2,1H3,(H2,25,29)(H,27,30)/t9-,11+,18-/m1/s1 BSPOWBGZMCAKAH-CINLLBHHSA-N 342431 N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- (difluoromethoxy)-3- methylpicolinamide::US9771379, Example 11b Beta-secretase 1 Homo sapiens 10800 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342431&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715638 385213155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676637 Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F InChI=1S/C19H18F5N5O4S/c1-8-2-10(33-16(20)21)4-26-13(8)14(30)27-12-6-34-15(28-12)18-7-32-11(19(22,23)24)3-9(18)5-31-17(25)29-18/h2,4,6,9,11,16H,3,5,7H2,1H3,(H2,25,29)(H,27,30)/t9-,11+,18-/m0/s1 BSPOWBGZMCAKAH-XUPINFNUSA-N 342432 N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- (difluoromethoxy)-3- methylpicolinamide::US9771379, Example 11a Beta-secretase 1 Homo sapiens 155 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715588 385213156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676638 NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m1/s1 FQMXRIBZIIFMJW-AVDZXXLSSA-N 342433 N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- (difluoromethoxy) picolinamide::US9771379, Example 12b Beta-secretase 1 Homo sapiens 15000 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715589 385213157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676639 NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m0/s1 FQMXRIBZIIFMJW-ZQOXVEAGSA-N 342435 N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- (difluoromethoxy) picolinamide::US9771379, Example 12a Beta-secretase 1 Homo sapiens 371 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715559 385213159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676640 NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m1/s1 AXOMWSFAEGDUQS-RLRJSWJRSA-N 342436 N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-3-chloro-5- (difluoromethoxy) picolinamide::US9771379, Example 13b Beta-secretase 1 Homo sapiens 6970 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715616 385213160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676641 NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m0/s1 AXOMWSFAEGDUQS-KAWBQECESA-N 342438 N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-3-chloro-5- (difluoromethoxy) picolinamide::US9771379, Example 13a Beta-secretase 1 Homo sapiens 184 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715586 385213162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676642 NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C20H21F2N5O4S/c21-17(22)31-12-2-3-13(24-7-12)15(28)25-14-9-32-16(26-14)20-10-30-19(4-1-5-19)6-11(20)8-29-18(23)27-20/h2-3,7,9,11,17H,1,4-6,8,10H2,(H2,23,27)(H,25,28)/t11-,20-/m0/s1 SEBIYHKWQMOVBA-YBTHPKLGSA-N 342439 N-(2-((4a′R,8a′R)-2′-amino-4a′,5′-dihydro-4′H-spiro[cyclobutane-1,6′-pyrano 3,4-d][1,3]oxazin]-8a′(8′H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide::US9771379, Example 14 Beta-secretase 1 Homo sapiens 860 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715649 385213163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676643 Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2 InChI=1S/C21H23F2N5O4S/c1-11-5-13(32-18(22)23)7-25-15(11)16(29)26-14-9-33-17(27-14)21-10-31-20(3-2-4-20)6-12(21)8-30-19(24)28-21/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H2,24,28)(H,26,29)/t12-,21-/m0/s1 YLFORLVDZPJUDS-QKVFXAPYSA-N 342440 N-(2-((4a′R,8a′R)-2′-amino-4a′,5′-dihydro-4′H-spiro[cyclobutane-1,6′-pyrano[3,4-d][1,3]oxazin]-8a′(8′H)-yl)thiazol-4-yl)-5-(difluoromethoxy)-3-methyl picolinamide::US9771379, Example 15 Beta-secretase 1 Homo sapiens 370 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342440&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715626 385213164 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676644 NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C20H20N6O3S/c21-7-12-2-3-14(23-8-12)16(27)24-15-10-30-17(25-15)20-11-29-19(4-1-5-19)6-13(20)9-28-18(22)26-20/h2-3,8,10,13H,1,4-6,9,11H2,(H2,22,26)(H,24,27)/t13-,20-/m0/s1 AMDFCIZTYXEYCG-RBZFPXEDSA-N 342441 N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spiro [cyclobutane-1,6'-pyrano [3,4-d][1,3]oxazin]-8a'(8'H)- yl)thiazol-4-yl)-5-cyano picolinamide::US9771379, Example 16 Beta-secretase 1 Homo sapiens 395 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715625 385213165 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676645 NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C19H20F2N6O4S/c20-16(21)31-13-6-23-11(5-24-13)14(28)25-12-8-32-15(26-12)19-9-30-18(2-1-3-18)4-10(19)7-29-17(22)27-19/h5-6,8,10,16H,1-4,7,9H2,(H2,22,27)(H,25,28)/t10-,19-/m0/s1 SJRNQARJNYBAQM-OVWNDWIMSA-N 342442 N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spiro [cyclobutane-1,6'-pyrano [3,4-d][1,3]oxazin]-8a'(8'H)- yl)thiazol-4-yl)-5- (difluoromethoxy)pyrazine- 2-carboxamide::US9771379, Example 17 Beta-secretase 1 Homo sapiens 2263 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715582 385213166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676646 NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 InChI=1S/C20H20ClF2N5O4S/c21-12-4-11(32-17(22)23)6-25-14(12)15(29)26-13-8-33-16(27-13)20-9-31-19(2-1-3-19)5-10(20)7-30-18(24)28-20/h4,6,8,10,17H,1-3,5,7,9H2,(H2,24,28)(H,26,29)/t10-,20-/m0/s1 QMHAMVCHOWVHCX-FVINQWEUSA-N 342443 N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spiro [cyclobutane-1,6'- pyrano[3,4-d][1,3]oxazin]- 8a'(8'H)-yl)thiazol-4-yl)-3- chloro-5-(difluoromethoxy) picolinamide::US9771379, Example 18 Beta-secretase 1 Homo sapiens 561 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715613 385213167 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676647 Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2)C#N InChI=1S/C21H22N6O3S/c1-12-5-13(7-22)8-24-16(12)17(28)25-15-10-31-18(26-15)21-11-30-20(3-2-4-20)6-14(21)9-29-19(23)27-21/h5,8,10,14H,2-4,6,9,11H2,1H3,(H2,23,27)(H,25,28)/t14-,21-/m0/s1 VFQARHRLZQQLLA-QKKBWIMNSA-N 342444 N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spiro [cyclobutane-1,6'-pyrano [3,4-d][1,3]oxazin]-8a'(8'H)- yl)thiazol-4-yl)-5-cyano-3- methylpicolinamide::US9771379, Example 19 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q2R78HC1 aid1797209 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715576 385213168 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676648 NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C17H15F5N6O4S/c18-14(19)32-11-3-24-8(2-25-11)12(29)26-10-5-33-13(27-10)16-6-31-9(17(20,21)22)1-7(16)4-30-15(23)28-16/h2-3,5,7,9,14H,1,4,6H2,(H2,23,28)(H,26,29)/t7-,9+,16-/m0/s1 KSSFNOIVJFQWMQ-AYOUHGRWSA-N 342445 N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl]-1,3-thiazol-4-yl}-5- (difluoromethoxy)pyrazine- 2-carboxamide::US9771379, Example 20 Beta-secretase 1 Homo sapiens 124 US Patent 10.7270/Q2R78HC1 aid1797210 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715639 385213169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676649 Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F)C#N InChI=1S/C19H17F3N6O3S/c1-9-2-10(4-23)5-25-14(9)15(29)26-13-7-32-16(27-13)18-8-31-12(19(20,21)22)3-11(18)6-30-17(24)28-18/h2,5,7,11-12H,3,6,8H2,1H3,(H2,24,28)(H,26,29)/t11-,12+,18-/m0/s1 LHMOSIDVUOYLHU-IUUKEHGRSA-N 342446 N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)-yl]- 1,3-thiazol-4-yl}-5-cyano-3- methylpyridine-2- carboxamide::US9771379, Example 21 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2R78HC1 aid1797210 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715612 385213170 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676650 Cc1nc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F InChI=1S/C18H17F5N6O4S/c1-7-12(25-3-11(26-7)33-15(19)20)13(30)27-10-5-34-14(28-10)17-6-32-9(18(21,22)23)2-8(17)4-31-16(24)29-17/h3,5,8-9,15H,2,4,6H2,1H3,(H2,24,29)(H,27,30)/t8-,9+,17-/m0/s1 KZSWBENUZHVEIJ-BTKFHORUSA-N 342447 N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)-yl]- 1,3-thiazol-4-yl}-5- (difluoromethoxy)-3-methyl pyrazine-2-carboxamide::US9771379, Example 22 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2R78HC1 aid1797210 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342447&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715606 385213171 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676651 COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@H](C[C@H]2COC(N)=N3)C(F)(F)F)c(C)n1 InChI=1S/C18H19F3N6O4S/c1-8-13(23-4-12(24-8)29-2)14(28)25-11-6-32-15(26-11)17-7-31-10(18(19,20)21)3-9(17)5-30-16(22)27-17/h4,6,9-10H,3,5,7H2,1-2H3,(H2,22,27)(H,25,28)/t9-,10+,17-/m0/s1 CJLQIZQQBHPNBX-GBNMTWHSSA-N 342448 N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)-yl]- 1,3-thiazol-4-yl}-5-methoxy- 3-methylpyrazine-2- carboxamide::US9771379, Example 23 Beta-secretase 1 Homo sapiens 162 US Patent 10.7270/Q2R78HC1 aid1797210 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715598 385213172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 676652 NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-3-10-6-29-16(23)27-17(10,8-30-12)15-26-13(7-31-15)25-14(28)11-2-1-9(4-22)5-24-11/h1-2,5,7,10,12H,3,6,8H2,(H2,23,27)(H,25,28)/t10-,12+,17-/m0/s1 YCNVYNANCSXFEX-BFCNOCSMSA-N 342449 N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)-yl]- 1,3-thiazol-4-yl}-5-cyano pyridine-2-carboxamide::US9771379, Example 24 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2R78HC1 aid1797210 US9771379 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=342449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=342449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126715560 385213173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668092 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H15F2N7O/c1-18(9-27-15(8-23-26-27)16(21)25-18)12-6-11(3-4-13(12)20)24-17(28)14-5-2-10(19)7-22-14/h2-8H,9H2,1H3,(H2,21,25)(H,24,28)/t18-/m0/s1 ALDQBQZJKOIWIW-SFHVURJKSA-N 338836 US9751886, Compound 1 Beta-secretase 1 Homo sapiens 5.25 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581403 384990810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668093 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H15F2N7O/c1-18(9-27-15(8-23-26-27)16(21)25-18)12-6-11(3-4-13(12)20)24-17(28)14-5-2-10(19)7-22-14/h2-8H,9H2,1H3,(H2,21,25)(H,24,28)/t18-/m0/s1 ALDQBQZJKOIWIW-SFHVURJKSA-N 338836 US9751886, Compound 1 Beta-secretase 1 Homo sapiens 4.27 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581403 384990810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668094 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 XIOGEDRAOXMYRT-IBGZPJMESA-N 338837 US9751886, Compound 2 Beta-secretase 1 Homo sapiens 1.78 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294744 384990811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668095 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 XIOGEDRAOXMYRT-IBGZPJMESA-N 338837 US9751886, Compound 2 Beta-secretase 1 Homo sapiens 1.78 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294744 384990811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668096 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nncc2C(N)=N1 InChI=1S/C18H17FN8O2/c1-18(9-27-14(7-23-26-27)16(20)25-18)11-5-10(3-4-12(11)19)24-17(28)13-6-22-15(29-2)8-21-13/h3-8H,9H2,1-2H3,(H2,20,25)(H,24,28)/t18-/m0/s1 KSZUTAXSHMVGBE-SFHVURJKSA-N 338838 US9751886, Compound 3 Beta-secretase 1 Homo sapiens 2.04 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581547 384990812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668097 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nncc2C(N)=N1 InChI=1S/C18H17FN8O2/c1-18(9-27-14(7-23-26-27)16(20)25-18)11-5-10(3-4-12(11)19)24-17(28)13-6-22-15(29-2)8-21-13/h3-8H,9H2,1-2H3,(H2,20,25)(H,24,28)/t18-/m0/s1 KSZUTAXSHMVGBE-SFHVURJKSA-N 338838 US9751886, Compound 3 Beta-secretase 1 Homo sapiens 2.04 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581547 384990812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668098 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClFN7O/c1-18(9-27-15(8-23-26-27)16(21)25-18)12-6-11(3-4-13(12)20)24-17(28)14-5-2-10(19)7-22-14/h2-8H,9H2,1H3,(H2,21,25)(H,24,28)/t18-/m0/s1 FIUOQWQRVSRKHL-SFHVURJKSA-N 338839 US9751886, Compound 4 Beta-secretase 1 Homo sapiens 1.74 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581548 384990813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668099 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClFN7O/c1-18(9-27-15(8-23-26-27)16(21)25-18)12-6-11(3-4-13(12)20)24-17(28)14-5-2-10(19)7-22-14/h2-8H,9H2,1H3,(H2,21,25)(H,24,28)/t18-/m0/s1 FIUOQWQRVSRKHL-SFHVURJKSA-N 338839 US9751886, Compound 4 Beta-secretase 1 Homo sapiens 1.78 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581548 384990813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668100 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H14ClF3N8O/c1-17(7-29-12(5-23-27-29)14(22)25-17)9-4-8(2-3-11(9)19)24-15(30)13-10(18)6-28(26-13)16(20)21/h2-6,16H,7H2,1H3,(H2,22,25)(H,24,30)/t17-/m0/s1 DWQBWXKENFEBOL-KRWDZBQOSA-N 338840 N-{3-[(6R)-4-Amino-6-methyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide ::US9751886, Compound 5 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581549 384990814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668101 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C17H14ClF3N8O/c1-17(7-29-12(5-23-27-29)14(22)25-17)9-4-8(2-3-11(9)19)24-15(30)13-10(18)6-28(26-13)16(20)21/h2-6,16H,7H2,1H3,(H2,22,25)(H,24,30)/t17-/m0/s1 DWQBWXKENFEBOL-KRWDZBQOSA-N 338840 N-{3-[(6R)-4-Amino-6-methyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide ::US9751886, Compound 5 Beta-secretase 1 Homo sapiens 1.91 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581549 384990814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668102 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H16F4N8O2/c1-18(8-31-14(6-27-30-31)16(24)29-18)11-4-10(2-3-12(11)20)28-17(32)13-5-26-15(7-25-13)33-9-19(21,22)23/h2-7H,8-9H2,1H3,(H2,24,29)(H,28,32)/t18-/m0/s1 NZTYMOUXRNVYGQ-SFHVURJKSA-N 338841 US9751886, Compound 6 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581550 384990815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668103 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H16F4N8O2/c1-18(8-31-14(6-27-30-31)16(24)29-18)11-4-10(2-3-12(11)20)28-17(32)13-5-26-15(7-25-13)33-9-19(21,22)23/h2-7H,8-9H2,1H3,(H2,24,29)(H,28,32)/t18-/m0/s1 NZTYMOUXRNVYGQ-SFHVURJKSA-N 338841 US9751886, Compound 6 Beta-secretase 1 Homo sapiens 3.09 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581550 384990815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668104 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H17F2N7O2/c1-19(9-28-16(8-24-27-28)17(22)26-19)13-6-11(2-4-14(13)21)25-18(29)15-5-3-12(7-23-15)30-10-20/h2-8H,9-10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 IFZVTLKVMBOTCD-IBGZPJMESA-N 338842 US9751886, Compound 7 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138753048 384990816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668105 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H17F2N7O2/c1-19(9-28-16(8-24-27-28)17(22)26-19)13-6-11(2-4-14(13)21)25-18(29)15-5-3-12(7-23-15)30-10-20/h2-8H,9-10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 IFZVTLKVMBOTCD-IBGZPJMESA-N 338842 US9751886, Compound 7 Beta-secretase 1 Homo sapiens 3.02 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138753048 384990816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668106 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)cc(F)c1F InChI=1S/C18H14F3N7O/c1-18(8-28-14(7-24-27-28)16(22)26-18)11-4-10(5-12(20)15(11)21)25-17(29)13-3-2-9(19)6-23-13/h2-7H,8H2,1H3,(H2,22,26)(H,25,29)/t18-/m0/s1 DEALMQADSASPQK-SFHVURJKSA-N 338843 N-{3-[(6R)-4-Amino-6-methyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4,5-difluorophenyl}-5-fluoropyridine-2-carboxamide ::US9751886, Compound 8 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581552 384990817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668107 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)cc(F)c1F InChI=1S/C18H14F3N7O/c1-18(8-28-14(7-24-27-28)16(22)26-18)11-4-10(5-12(20)15(11)21)25-17(29)13-3-2-9(19)6-23-13/h2-7H,8H2,1H3,(H2,22,26)(H,25,29)/t18-/m0/s1 DEALMQADSASPQK-SFHVURJKSA-N 338843 N-{3-[(6R)-4-Amino-6-methyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4,5-difluorophenyl}-5-fluoropyridine-2-carboxamide ::US9751886, Compound 8 Beta-secretase 1 Homo sapiens 4.37 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581552 384990817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668108 NC1=N[C@@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F3N7O/c19-8-18(9-28-15(7-24-27-28)16(22)26-18)12-5-11(2-3-13(12)21)25-17(29)14-4-1-10(20)6-23-14/h1-7H,8-9H2,(H2,22,26)(H,25,29)/t18-/m0/s1 KTMJHDICOAOUQM-SFHVURJKSA-N 338844 US9751886, Compound 10::US9751886, Compound 9 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581691 384990818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668109 NC1=N[C@@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F3N7O/c19-8-18(9-28-15(7-24-27-28)16(22)26-18)12-5-11(2-3-13(12)21)25-17(29)14-4-1-10(20)6-23-14/h1-7H,8-9H2,(H2,22,26)(H,25,29)/t18-/m0/s1 KTMJHDICOAOUQM-SFHVURJKSA-N 338844 US9751886, Compound 10::US9751886, Compound 9 Beta-secretase 1 Homo sapiens 8.32 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581691 384990818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668110 NC1=N[C@@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F3N7O/c19-8-18(9-28-15(7-24-27-28)16(22)26-18)12-5-11(2-3-13(12)21)25-17(29)14-4-1-10(20)6-23-14/h1-7H,8-9H2,(H2,22,26)(H,25,29)/t18-/m0/s1 KTMJHDICOAOUQM-SFHVURJKSA-N 338844 US9751886, Compound 10::US9751886, Compound 9 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581691 384990818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668111 NC1=N[C@@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F3N7O/c19-8-18(9-28-15(7-24-27-28)16(22)26-18)12-5-11(2-3-13(12)21)25-17(29)14-4-1-10(20)6-23-14/h1-7H,8-9H2,(H2,22,26)(H,25,29)/t18-/m0/s1 KTMJHDICOAOUQM-SFHVURJKSA-N 338844 US9751886, Compound 10::US9751886, Compound 9 Beta-secretase 1 Homo sapiens 4.07 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581691 384990818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668112 NC1=N[C@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F3N7O/c19-8-18(9-28-15(7-24-27-28)16(22)26-18)12-5-11(2-3-13(12)21)25-17(29)14-4-1-10(20)6-23-14/h1-7H,8-9H2,(H2,22,26)(H,25,29)/t18-/m1/s1 KTMJHDICOAOUQM-GOSISDBHSA-N 338846 (rac)-N-{3-[4-amino-6-(fluoromethyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide (compound 9), N-{3-[(6R)-4-amino-6-(fluoromethyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide (compound 10), N-{3-[(6S)-4-amino-6-(fluoromethyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide ::US9751886, Compound 11 Beta-secretase 1 Homo sapiens 1000000000 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581690 384990819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 668113 NC1=N[C@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H14F3N7O/c19-8-18(9-28-15(7-24-27-28)16(22)26-18)12-5-11(2-3-13(12)21)25-17(29)14-4-1-10(20)6-23-14/h1-7H,8-9H2,(H2,22,26)(H,25,29)/t18-/m1/s1 KTMJHDICOAOUQM-GOSISDBHSA-N 338846 (rac)-N-{3-[4-amino-6-(fluoromethyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide (compound 9), N-{3-[(6R)-4-amino-6-(fluoromethyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide (compound 10), N-{3-[(6S)-4-amino-6-(fluoromethyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide ::US9751886, Compound 11 Beta-secretase 1 Homo sapiens 759 US Patent 10.7270/Q2Z321RC aid1797108 US9751886 Oehlrich, D; Gijsen, HJ Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86581690 384990819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755718 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H43N5O6S/c1-26(29-17-11-6-12-18-29)40-36(45)30-22-31(24-32(23-30)42(2)50(3,48)49)37(46)41-33(21-27-13-7-4-8-14-27)35(44)34-38(47)43(20-19-39-34)25-28-15-9-5-10-16-28/h4-18,22-24,26,33-35,39,44H,19-21,25H2,1-3H3,(H,40,45)(H,41,46)/t26-,33+,34+,35+/m1/s1 XFQJUBHCQDVLTG-AVSSONEDSA-N 50240554 CHEMBL4081377 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 493048 85388739 CHEMBL4081377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755707 CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C1=O InChI=1S/C35H45N5O6S/c1-23(2)22-40-17-16-36-31(35(40)44)32(41)30(18-25-12-8-6-9-13-25)38-34(43)28-19-27(20-29(21-28)39(4)47(5,45)46)33(42)37-24(3)26-14-10-7-11-15-26/h6-15,19-21,23-24,30-32,36,41H,16-18,22H2,1-5H3,(H,37,42)(H,38,43)/t24-,30+,31+,32+/m1/s1 XVHBFKBJMOUAGF-GCJCAGDSSA-N 120272 US8703947, GRL- 0849AL Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973151 220231066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755708 CCCN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C1=O InChI=1S/C34H43N5O6S/c1-5-17-39-18-16-35-30(34(39)43)31(40)29(19-24-12-8-6-9-13-24)37-33(42)27-20-26(21-28(22-27)38(3)46(4,44)45)32(41)36-23(2)25-14-10-7-11-15-25/h6-15,20-23,29-31,35,40H,5,16-19H2,1-4H3,(H,36,41)(H,37,42)/t23-,29+,30+,31+/m1/s1 IYAVUQYYEIEHTI-ZKBMDCSPSA-N 50240555 CHEMBL4089241 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 493050 85388766 CHEMBL4089241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755709 COc1cccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C)c3ccccc3)N(C)S(C)(=O)=O)C2=O)c1 InChI=1S/C39H45N5O7S/c1-26(29-15-9-6-10-16-29)41-37(46)30-22-31(24-32(23-30)43(2)52(4,49)50)38(47)42-34(21-27-12-7-5-8-13-27)36(45)35-39(48)44(19-18-40-35)25-28-14-11-17-33(20-28)51-3/h5-17,20,22-24,26,34-36,40,45H,18-19,21,25H2,1-4H3,(H,41,46)(H,42,47)/t26-,34+,35+,36+/m1/s1 LXVLCSGCXPGNLZ-FBCAFTLCSA-N 120276 US8703947, GRL- 1079AL Beta-secretase 1 Homo sapiens 129 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68256748 220231070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755710 COc1ccccc1CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C1=O InChI=1S/C39H45N5O7S/c1-26(28-15-9-6-10-16-28)41-37(46)30-22-31(24-32(23-30)43(2)52(4,49)50)38(47)42-33(21-27-13-7-5-8-14-27)36(45)35-39(48)44(20-19-40-35)25-29-17-11-12-18-34(29)51-3/h5-18,22-24,26,33,35-36,40,45H,19-21,25H2,1-4H3,(H,41,46)(H,42,47)/t26-,33+,35+,36+/m1/s1 NQEWPDVZBWDOAA-JDVGGQRESA-N 50240556 CHEMBL4079215 Beta-secretase 1 Homo sapiens 144 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5730821 85390387 CHEMBL4079215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755711 CCc1cn2CC(C)(C)S(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C36H43N5O5S/c1-5-26-22-41-23-36(2,3)47(45,46)39(4)30-20-27(19-28(26)32(30)41)34(43)38-29(18-24-12-8-6-9-13-24)33(42)31-35(44)40(17-16-37-31)21-25-14-10-7-11-15-25/h6-15,19-20,22,29,31,33,37,42H,5,16-18,21,23H2,1-4H3,(H,38,43)/t29-,31-,33-/m0/s1 WBWSVNAKBNLSOJ-WXWREJFYSA-N 50240557 CHEMBL4065655 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8W4 5V0N 14763364 85390388 CHEMBL4065655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755712 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@@H](C)N(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C39H45N5O6S/c1-26-24-40-35(39(48)44(26)25-29-16-10-6-11-17-29)36(45)34(20-28-14-8-5-9-15-28)42-38(47)32-21-31(22-33(23-32)43(3)51(4,49)50)37(46)41-27(2)30-18-12-7-13-19-30/h5-19,21-23,26-27,34-36,40,45H,20,24-25H2,1-4H3,(H,41,46)(H,42,47)/t26-,27-,34+,35+,36+/m1/s1 YFQSCVJHYUMPQA-CLTKRWNUSA-N 50240559 CHEMBL4087999 Beta-secretase 1 Homo sapiens 176 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11970174 85392737 CHEMBL4087999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755713 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CN(Cc2ccccc2)[C@H](C)CN1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C39H47N5O5S/c1-27-24-40-36(26-44(27)25-30-16-10-6-11-17-30)37(45)35(20-29-14-8-5-9-15-29)42-39(47)33-21-32(22-34(23-33)43(3)50(4,48)49)38(46)41-28(2)31-18-12-7-13-19-31/h5-19,21-23,27-28,35-37,40,45H,20,24-26H2,1-4H3,(H,41,46)(H,42,47)/t27-,28-,35+,36-,37+/m1/s1 GLRIKBJUDRHGSB-DIRMNPINSA-N 50240562 CHEMBL4059708 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 500933 85393869 CHEMBL4059708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755714 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@@H](Cc2ccccc2)N(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C45H49N5O6S/c1-31(35-22-14-7-15-23-35)47-43(52)36-26-37(28-38(27-36)49(2)57(3,55)56)44(53)48-40(25-33-18-10-5-11-19-33)42(51)41-45(54)50(30-34-20-12-6-13-21-34)39(29-46-41)24-32-16-8-4-9-17-32/h4-23,26-28,31,39-42,46,51H,24-25,29-30H2,1-3H3,(H,47,52)(H,48,53)/t31-,39-,40+,41+,42+/m1/s1 DKYGIFMLRQPDFX-UHQGIZJSSA-N 50240564 CHEMBL4068368 Beta-secretase 1 Homo sapiens 22200 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 500928 85394351 CHEMBL4068368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755715 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@@H](Cc2ccccc2)N(C)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C39H45N5O6S/c1-26(29-18-12-7-13-19-29)41-37(46)30-22-31(24-32(23-30)44(3)51(4,49)50)38(47)42-34(21-28-16-10-6-11-17-28)36(45)35-39(48)43(2)33(25-40-35)20-27-14-8-5-9-15-27/h5-19,22-24,26,33-36,40,45H,20-21,25H2,1-4H3,(H,41,46)(H,42,47)/t26-,33-,34+,35+,36+/m1/s1 HVKNWLMBWSOMCP-ABZOQRJVSA-N 50240565 CHEMBL4092310 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 500930 85394401 CHEMBL4092310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755716 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@@H](Cc2ccccc2)N(C)C1=O InChI=1S/C36H46N4O4/c1-5-17-40(18-6-2)35(43)29-20-25(3)19-28(23-29)34(42)38-31(22-27-15-11-8-12-16-27)33(41)32-36(44)39(4)30(24-37-32)21-26-13-9-7-10-14-26/h7-16,19-20,23,30-33,37,41H,5-6,17-18,21-22,24H2,1-4H3,(H,38,42)/t30-,31+,32+,33+/m1/s1 DKDWGDUAHFBLEQ-GJBCSVNNSA-N 50240566 CHEMBL4064628 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 500929 85394440 CHEMBL4064628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755717 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@@H]2CCCN2C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C34H41N5O6S/c1-22(24-13-8-5-9-14-24)36-32(41)25-18-26(20-28(19-25)38(2)46(3,44)45)33(42)37-29(17-23-11-6-4-7-12-23)31(40)30-34(43)39-16-10-15-27(39)21-35-30/h4-9,11-14,18-20,22,27,29-31,35,40H,10,15-17,21H2,1-3H3,(H,36,41)(H,37,42)/t22-,27+,29+,30+,31+/m1/s1 YJYYPDUGRGWQNA-RMGIFCONSA-N 50240568 CHEMBL4103058 Beta-secretase 1 Homo sapiens 5690 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44303416 104098358 CHEMBL4103058 ZINC26144080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755721 CCc1cn2CC(C)(C)S(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O InChI=1S/C36H43N5O5S/c1-5-26-22-41-23-36(2,3)47(45,46)39(4)30-20-27(19-28(26)32(30)41)34(43)38-29(18-24-12-8-6-9-13-24)33(42)31-35(44)40(17-16-37-31)21-25-14-10-7-11-15-25/h6-15,19-20,22,29,31,33,37,42H,5,16-18,21,23H2,1-4H3,(H,38,43)/t29-,31-,33-/m0/s1 WBWSVNAKBNLSOJ-WXWREJFYSA-N 50240557 CHEMBL4065655 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 8W4 5V0N 14763364 85390388 CHEMBL4065655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755720 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C38H43N5O6S/c1-26(29-17-11-6-12-18-29)40-36(45)30-22-31(24-32(23-30)42(2)50(3,48)49)37(46)41-33(21-27-13-7-4-8-14-27)35(44)34-38(47)43(20-19-39-34)25-28-15-9-5-10-16-28/h4-18,22-24,26,33-35,39,44H,19-21,25H2,1-3H3,(H,40,45)(H,41,46)/t26-,33+,34+,35+/m1/s1 XFQJUBHCQDVLTG-AVSSONEDSA-N 50240554 CHEMBL4081377 Beta-secretase 1 Homo sapiens 3.5 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 493048 85388739 CHEMBL4081377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755726 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@H]2CCCN2C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C34H41N5O6S/c1-22(24-13-8-5-9-14-24)36-32(41)25-18-26(20-28(19-25)38(2)46(3,44)45)33(42)37-29(17-23-11-6-4-7-12-23)31(40)30-34(43)39-16-10-15-27(39)21-35-30/h4-9,11-14,18-20,22,27,29-31,35,40H,10,15-17,21H2,1-3H3,(H,36,41)(H,37,42)/t22-,27-,29+,30+,31+/m1/s1 YJYYPDUGRGWQNA-RYNIEOSLSA-N 50240572 CHEMBL4078781 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 451883 85396887 CHEMBL4078781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755722 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@H]2COC(=O)N2C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C33H37N5O8S/c1-20(22-12-8-5-9-13-22)35-30(40)23-15-24(17-25(16-23)37(2)47(3,44)45)31(41)36-27(14-21-10-6-4-7-11-21)29(39)28-32(42)38-26(18-34-28)19-46-33(38)43/h4-13,15-17,20,26-29,34,39H,14,18-19H2,1-3H3,(H,35,40)(H,36,41)/t20-,26+,27+,28+,29+/m1/s1 WEUUCSVIFAYVCD-KWXSAKIRSA-N 50240569 CHEMBL4067893 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 150068 85394954 CHEMBL4067893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755724 COc1ccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C)c3ccccc3)N(C)S(C)(=O)=O)C2=O)cc1 InChI=1S/C39H45N5O7S/c1-26(29-13-9-6-10-14-29)41-37(46)30-22-31(24-32(23-30)43(2)52(4,49)50)38(47)42-34(21-27-11-7-5-8-12-27)36(45)35-39(48)44(20-19-40-35)25-28-15-17-33(51-3)18-16-28/h5-18,22-24,26,34-36,40,45H,19-21,25H2,1-4H3,(H,41,46)(H,42,47)/t26-,34+,35+,36+/m1/s1 LAYJOTDSIADFSB-FBCAFTLCSA-N 120273 US8703947, GRL- 0889AL Beta-secretase 1 Homo sapiens 81 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=120273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 84973152 220231067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755725 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@H](C)N(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C39H45N5O6S/c1-26-24-40-35(39(48)44(26)25-29-16-10-6-11-17-29)36(45)34(20-28-14-8-5-9-15-28)42-38(47)32-21-31(22-33(23-32)43(3)51(4,49)50)37(46)41-27(2)30-18-12-7-13-19-30/h5-19,21-23,26-27,34-36,40,45H,20,24-25H2,1-4H3,(H,41,46)(H,42,47)/t26-,27+,34-,35-,36-/m0/s1 YFQSCVJHYUMPQA-ZZIBNERLSA-N 50240570 CHEMBL4087083 Beta-secretase 1 Homo sapiens 52900 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10331844 85394955 CHEMBL4087083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755728 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@H](Cc2ccccc2)N(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C45H49N5O6S/c1-31(35-22-14-7-15-23-35)47-43(52)36-26-37(28-38(27-36)49(2)57(3,55)56)44(53)48-40(25-33-18-10-5-11-19-33)42(51)41-45(54)50(30-34-20-12-6-13-21-34)39(29-46-41)24-32-16-8-4-9-17-32/h4-23,26-28,31,39-42,46,51H,24-25,29-30H2,1-3H3,(H,47,52)(H,48,53)/t31-,39+,40+,41+,42+/m1/s1 DKYGIFMLRQPDFX-OKKIEPJOSA-N 50240571 CHEMBL4095715 Beta-secretase 1 Homo sapiens 32600 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4540 85395184 CHEMBL4095715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50755729 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NC[C@H]2COC(=O)N2C1=O)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C33H37N5O8S/c1-20(22-12-8-5-9-13-22)35-30(40)23-15-24(17-25(16-23)37(2)47(3,44)45)31(41)36-27(14-21-10-6-4-7-11-21)29(39)28-32(42)38-26(18-34-28)19-46-33(38)43/h4-13,15-17,20,26-29,34,39H,14,18-19H2,1-3H3,(H,35,40)(H,36,41)/t20-,26+,27+,28+,29+/m1/s1 WEUUCSVIFAYVCD-KWXSAKIRSA-N 50240569 CHEMBL4067893 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2017.04.011 10.7270/Q2R213JX 28427814 Ghosh, AK; Brindisi, M; Yen, YC; Cárdenas, EL; Ella-Menye, JR; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 150068 85394954 CHEMBL4067893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50756234 CCCCCC(=O)Oc1ccc2c(c1)occ(C1C(OC(=O)CC)=C(C)NC(C)=C1OC(=O)CC)c2=O InChI=1S/C28H33NO8/c1-6-9-10-11-24(32)35-18-12-13-19-21(14-18)34-15-20(26(19)33)25-27(36-22(30)7-2)16(4)29-17(5)28(25)37-23(31)8-3/h12-15,25,29H,6-11H2,1-5H3 SZAJXPZFQUZEQV-UHFFFAOYSA-N 50240681 CHEMBL4066788 Beta-secretase 1 Homo sapiens 6840 ChEMBL 10.1021/acs.jmedchem.6b01720 10.7270/Q27083KP 28537720 Reis, J; Gaspar, A; Milhazes, N; Borges, F University of Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9926920 85451309 CHEMBL4066788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50762518 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ DXDRHHKMWQZJHT-FPYGCLRLSA-N 50042944 (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone::(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one::1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone::1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one::1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one::2',4',4-trihydroxychalcone::2',4,4'-trihydroxychalcone::2,4'-dihydroxy-4-hydroxychalcone::CHEMBL129795::Isoliquiritigenin (1)::cid_638278 Beta-secretase 1 Homo sapiens 51500 ChEMBL 10.1016/j.bmcl.2017.05.035 10.7270/Q2QR50K7 28539221 Le, TC; Yim, CY; Park, S; Katila, N; Yang, I; Song, MC; Yoon, YJ; Choi, DY; Choi, H; Nam, SJ; Fenical, W Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HCC 5YX4,1FP1,4RLU,6AJX,6AJV 638278 103974441 310312 CHEMBL129795 DB03285 C08650 ZINC03869608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700268 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1 InChI=1S/C20H22FN5O4S/c1-19(20(8-9-20)31(28,29)26(2)18(22)25-19)14-10-12(4-6-15(14)21)24-17(27)16-7-5-13(30-3)11-23-16/h4-7,10-11H,8-9H2,1-3H3,(H2,22,25)(H,24,27)/t19-/m1/s1 GLCYCFWBJUZJNZ-LJQANCHMSA-N 352244 US9802928, 1a Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189985 386046649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700270 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn(C)nc3C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H20F4N6O3S/c1-17(18(6-7-18)33(31,32)29(3)16(24)26-17)12-8-10(4-5-13(12)20)25-15(30)11-9-28(2)27-14(11)19(21,22)23/h4-5,8-9H,6-7H2,1-3H3,(H2,24,26)(H,25,30)/t17-/m1/s1 COFFNOZXYDOWIH-QGZVFWFLSA-N 352245 US9802928, 1b Beta-secretase 1 Homo sapiens 4942 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189984 386046650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700272 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C22H22FN5O4S/c1-4-11-32-15-6-8-18(25-13-15)19(29)26-14-5-7-17(23)16(12-14)21(2)22(9-10-22)33(30,31)28(3)20(24)27-21/h1,5-8,12-13H,9-11H2,2-3H3,(H2,24,27)(H,26,29)/t21-/m1/s1 AJFHWHDSSGXVPF-OAQYLSRUSA-N 352246 US9802928, 1c Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189987 386046651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700274 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnsn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C16H17FN6O3S2/c1-15(16(5-6-16)28(25,26)23(2)14(18)21-15)10-7-9(3-4-11(10)17)20-13(24)12-8-19-27-22-12/h3-4,7-8H,5-6H2,1-2H3,(H2,18,21)(H,20,24)/t15-/m1/s1 WOHKSIPTWIJLRL-OAHLLOKOSA-N 352247 US9802928, 1d Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189989 386046652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700276 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1 InChI=1S/C19H21FN6O4S/c1-18(19(6-7-19)31(28,29)26(2)17(21)25-18)12-8-11(4-5-13(12)20)24-16(27)14-9-23-15(30-3)10-22-14/h4-5,8-10H,6-7H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m1/s1 IUKBYXPCHQMWHE-GOSISDBHSA-N 352248 US9802928, 1e Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189986 386046653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700278 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C20H19F4N5O3S/c1-18(19(7-8-19)33(31,32)29(2)17(25)28-18)13-9-12(4-5-14(13)21)27-16(30)15-6-3-11(10-26-15)20(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,25,28)(H,27,30)/t18-/m1/s1 KRALQEJSZCSMNQ-GOSISDBHSA-N 352249 US9802928, 1f Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189988 386046654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700280 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C20H19FN6O3S/c1-19(20(7-8-20)31(29,30)27(2)18(23)26-19)14-9-13(4-5-15(14)21)25-17(28)16-6-3-12(10-22)11-24-16/h3-6,9,11H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m1/s1 DEBDBRRAVDUWFZ-LJQANCHMSA-N 352251 US9802928, 1g Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190070 386046656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700282 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C17H19FN6O4S/c1-9-20-13(23-28-9)14(25)21-10-4-5-12(18)11(8-10)16(2)17(6-7-17)29(26,27)24(3)15(19)22-16/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,25)/t16-/m1/s1 UCCYOUBYPQTNGK-MRXNPFEDSA-N 352252 US9802928, 1h Beta-secretase 1 Homo sapiens 31.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189967 386046657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700284 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)12-7-11(3-4-13(12)20)27-15(30)14-25-8-10(9-26-14)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1 QMYDGOMATQIVFT-QGZVFWFLSA-N 352253 US9802928, 1i Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189963 386046658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700286 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)c1 InChI=1S/C21H24FN5O4S/c1-12-9-14(31-4)11-24-17(12)18(28)25-13-5-6-16(22)15(10-13)20(2)21(7-8-21)32(29,30)27(3)19(23)26-20/h5-6,9-11H,7-8H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m1/s1 UCWBLHDJHCBRHF-HXUWFJFHSA-N 352254 US9802928, 1j Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189968 386046659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700288 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-17(12)18(29)26-14-4-5-16(22)15(9-14)20(2)21(6-7-21)32(30,31)28(3)19(24)27-20/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,27)(H,26,29)/t20-/m1/s1 NGRPNJWYIZOAPX-HXUWFJFHSA-N 352255 US9802928, 1k Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189965 386046660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700290 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccn(n3)C(F)F)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C18H19F3N6O3S/c1-17(18(6-7-18)31(29,30)26(2)16(22)24-17)11-9-10(3-4-12(11)19)23-14(28)13-5-8-27(25-13)15(20)21/h3-5,8-9,15H,6-7H2,1-2H3,(H2,22,24)(H,23,28)/t17-/m1/s1 UIDKDNIVBINBTH-QGZVFWFLSA-N 352256 US9802928, 1l Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189964 386046661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700292 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccc(cc4n3)C#N)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C22H20FN7O3S/c1-21(22(6-7-22)34(32,33)29(2)20(25)28-21)15-10-14(3-4-16(15)23)26-19(31)17-12-30-8-5-13(11-24)9-18(30)27-17/h3-5,8-10,12H,6-7H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m1/s1 SFQMOEHIAYEQHB-OAQYLSRUSA-N 352257 US9802928, 1m Beta-secretase 1 Homo sapiens 5500 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189951 386046662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700294 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cc(C)on3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C18H20FN5O4S/c1-10-8-14(23-28-10)15(25)21-11-4-5-13(19)12(9-11)17(2)18(6-7-18)29(26,27)24(3)16(20)22-17/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)(H,21,25)/t17-/m1/s1 DOPZIBGZSVWPJQ-QGZVFWFLSA-N 352258 US9802928, 1n Beta-secretase 1 Homo sapiens 620 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189966 386046663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700296 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O3S/c1-18(19(5-6-19)31(29,30)27(2)17(23)26-18)12-8-11(3-4-13(12)21)25-16(28)15-14(22)7-10(20)9-24-15/h3-4,7-9H,5-6H2,1-2H3,(H2,23,26)(H,25,28)/t18-/m1/s1 VSEIQOKNGNMHNG-GOSISDBHSA-N 352259 US9802928, 1o Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189949 386046664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700298 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)11-7-10(3-4-12(11)20)27-15(30)13-8-26-14(9-25-13)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1 DRANDICUZDZDQQ-QGZVFWFLSA-N 352260 US9802928, 1p Beta-secretase 1 Homo sapiens 58.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189952 386046665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700300 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1 InChI=1S/C20H23FN6O4S/c1-11-16(23-10-15(24-11)31-4)17(28)25-12-5-6-14(21)13(9-12)19(2)20(7-8-20)32(29,30)27(3)18(22)26-19/h5-6,9-10H,7-8H2,1-4H3,(H2,22,26)(H,25,28)/t19-/m1/s1 HYSVXKHVNMBZKC-LJQANCHMSA-N 352261 US9802928, 1q Beta-secretase 1 Homo sapiens 38.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190241 386046666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700302 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H19F2N5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/m1/s1 UKNSROGMIYSAQF-GOSISDBHSA-N 352262 US9802928, 1r Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190074 386046667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700304 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C20H20F3N5O4S/c1-19(20(7-8-20)33(30,31)28(2)18(24)27-19)13-9-11(3-5-14(13)21)26-16(29)15-6-4-12(10-25-15)32-17(22)23/h3-6,9-10,17H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t19-/m1/s1 FDFUFJNRMIIKEA-LJQANCHMSA-N 352263 US9802928, 1s Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190076 386046668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700306 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCCF)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C20H22F2N6O4S/c1-19(20(5-6-20)33(30,31)28(2)18(23)27-19)13-9-12(3-4-14(13)22)26-17(29)15-10-25-16(11-24-15)32-8-7-21/h3-4,9-11H,5-8H2,1-2H3,(H2,23,27)(H,26,29)/t19-/m1/s1 OQMQSAHHJNGMTN-LJQANCHMSA-N 352264 US9802928, 1t Beta-secretase 1 Homo sapiens 42.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190075 386046669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700308 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3nc(C)oc3C)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H22FN5O4S/c1-10-15(22-11(2)29-10)16(26)23-12-5-6-14(20)13(9-12)18(3)19(7-8-19)30(27,28)25(4)17(21)24-18/h5-6,9H,7-8H2,1-4H3,(H2,21,24)(H,23,26)/t18-/m1/s1 TVCGECNZTOJGPF-GOSISDBHSA-N 352265 US9802928, 1u Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190073 386046670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700310 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H19FN6O3S2/c1-18(19(5-6-19)31(28,29)25(2)16(21)24-18)12-9-11(3-4-13(12)20)22-15(27)14-10-26-7-8-30-17(26)23-14/h3-4,7-10H,5-6H2,1-2H3,(H2,21,24)(H,22,27)/t18-/m1/s1 JGOCKNBMGPOZHH-GOSISDBHSA-N 352266 US9802928, 1v Beta-secretase 1 Homo sapiens 232 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189960 386046671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700312 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C20H20F4N6O4S/c1-18(19(5-6-19)35(32,33)30(2)17(25)29-18)12-7-11(3-4-13(12)21)28-16(31)14-8-27-15(9-26-14)34-10-20(22,23)24/h3-4,7-9H,5-6,10H2,1-2H3,(H2,25,29)(H,28,31)/t18-/m1/s1 NGKDQMRAUSDSAI-GOSISDBHSA-N 352267 US9802928, 1w Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189959 386046672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 700314 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H19ClFN5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/m1/s1 GMFWGHDWPHXEOU-GOSISDBHSA-N 352268 US9802928, 2 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q21Z46K6 aid1797558 US9802928 Scott, JD; Cumming, JN; Blizzard, T; Ellis, M Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=352268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=352268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118189954 386046673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767533 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767534 Clc1ccc2Sc3ccccc3N(CCCN3CCC4(CC3)NC(=O)CS4)c2c1 InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27) CFOYBMUYCBSDAL-UHFFFAOYSA-N 50245851 Spiclomazine Beta-secretase 1 Homo sapiens 6600 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65714 386403608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767536 OC1=C2Nc3ccccc3N=C2OC1c1c[nH]c2ccc(COc3ccccc3)cc12 InChI=1S/C25H19N3O3/c29-23-22-25(28-21-9-5-4-8-20(21)27-22)31-24(23)18-13-26-19-11-10-15(12-17(18)19)14-30-16-6-2-1-3-7-16/h1-13,24,26-27,29H,14H2 ZXHOCCGMGRZRJK-UHFFFAOYSA-N 50245862 CHEMBL4062641 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 341044 386403609 CHEMBL4062641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767537 O=C1NC2NC=CC2C(=O)N1 InChI=1S/C6H7N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-4,7H,(H2,8,9,10,11) FHDKQBJNGMYBDD-UHFFFAOYSA-N 50245872 CHEMBL4096411 Beta-secretase 1 Homo sapiens 30300 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 133703490 386403610 CHEMBL4096411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767538 CC#Cc1cncc(c1)-c1ccc2OC[C@]3(N=C(N)C[C@@H]3C(F)(F)F)c2c1 InChI=1S/C20H16F3N3O/c1-2-3-12-6-14(10-25-9-12)13-4-5-16-15(7-13)19(11-27-16)17(20(21,22)23)8-18(24)26-19/h4-7,9-10,17H,8,11H2,1H3,(H2,24,26)/t17-,19-/m0/s1 QXBFTWSGJHVMLE-HKUYNNGSSA-N 50245874 CHEMBL4078371 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137649130 386403611 CHEMBL4078371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767541 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C21H21FN6O3/c1-4-5-8-31-17-12-24-16(11-25-17)19(30)26-13-6-7-15(22)14(9-13)21(2)10-18(29)28(3)20(23)27-21/h6-7,9,11-12H,8,10H2,1-3H3,(H2,23,27)(H,26,30)/t21-/m0/s1 JLARKAUCJBQEDP-NRFANRHFSA-N 50245875 CHEMBL4086961 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137642018 386403612 CHEMBL4086961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767552 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767553 CC1Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2OC1=O InChI=1S/C18H17N3O4/c1-10-8-12-4-7-14(9-15(12)25-16(10)22)24-17(23)11-2-5-13(6-3-11)21-18(19)20/h2-7,9-10H,8H2,1H3,(H4,19,20,21) PIPIFEBBKGIHAC-UHFFFAOYSA-N 50245902 CHEMBL4090604 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137642839 386403613 CHEMBL4090604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50767554 NC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C9H9FN4O/c10-6-3-1-5(2-4-6)7-12-8(11)14-9(15)13-7/h1-4,7H,(H4,11,12,13,14,15) IIPYBCQHBOPOGK-UHFFFAOYSA-N 50138465 CHEMBL3752684 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.1021/acs.jmedchem.7b00393 10.7270/Q2MP55P1 28749667 Prati, F; Bottegoni, G; Bolognesi, ML; Cavalli, A University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44365237 85538617 CHEMBL3752684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739762 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C22H18F4N6OS/c1-21(16-6-22(16,34-20(28)32-21)19(33)31-10-17(24)25)13-4-12(9-30-18(13)26)5-14(23)15-3-2-11(7-27)8-29-15/h2-5,8-9,16-17H,6,10H2,1H3,(H2,28,32)(H,31,33)/b14-5-/t16-,21+,22-/m0/s1 YYCRMOQCZHPARY-FXUMXNMGSA-N 372874 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N-(2,2-difluoroethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 281 Beta-secretase 1 Homo sapiens 21.4 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285452 402359809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739765 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)cnc1F InChI=1S/C22H21F5N6O2S/c1-20(15-6-21(15,18(34)33(2)3)36-19(28)32-20)12-4-11(7-31-17(12)24)5-13(23)14-8-30-16(9-29-14)35-10-22(25,26)27/h4-5,7-9,15H,6,10H2,1-3H3,(H2,28,32)/b13-5-/t15-,20+,21-/m0/s1 BPVUVMIIWOKSLJ-CWXICVBYSA-N 372875 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 282 Beta-secretase 1 Homo sapiens 44.1 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524435 402359810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739768 C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C26H26F2N6O3S/c1-4-6-37-21-13-30-19(12-31-21)18(27)9-16-8-17(22(28)32-11-16)25(3)20-10-26(20,38-24(29)33-25)23(35)34-5-7-36-14-15(34)2/h1,8-9,11-13,15,20H,5-7,10,14H2,2-3H3,(H2,29,33)/b18-9-/t15-,20+,25-,26+/m1/s1 JKANPSVTEJTQKV-XPQRKTGASA-N 372876 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((R)-3-methylmorpholino)methanone::US10246429, Example 283 Beta-secretase 1 Homo sapiens 1.70 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285395 402359811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739771 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C27H26F2N6O4S/c1-3-4-39-22-10-31-20(9-32-22)19(28)6-15-5-18(23(29)33-8-15)26(2)21-7-27(21,40-25(30)34-26)24(36)35-16-11-37-13-17(35)14-38-12-16/h1,5-6,8-10,16-17,21H,4,7,11-14H2,2H3,(H2,30,34)/b19-6-/t16?,17?,21-,26+,27-/m0/s1 XQGARPKKWYXACW-MWCZSRNESA-N 372877 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((1R,5R)-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone::US10246429, Example 284 Beta-secretase 1 Homo sapiens 3.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285414 402359812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739774 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C21H17F2N5O3S/c1-3-4-31-16-10-25-14(9-26-16)13(22)6-11-5-12(17(23)27-8-11)20(2)15-7-21(15,18(29)30)32-19(24)28-20/h1,5-6,8-10,15H,4,7H2,2H3,(H2,24,28)(H,29,30)/b13-6-/t15-,20+,21-/m0/s1 GZOBJDKSMWPUCB-PJHMGBBRSA-N 372878 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylic acid::US10246429, Example 285 Beta-secretase 1 Homo sapiens 69.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555022 402359813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739777 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3OS/c1-20(18-9-21(18,11-28-2)29-19(25)27-20)14-7-12(3-5-15(14)23)8-16(24)17-6-4-13(22)10-26-17/h3-8,10,18H,9,11H2,1-2H3,(H2,25,27)/b16-8-/t18-,20+,21+/m0/s1 QJTYANIDYNXYQH-WYVHCHOOSA-N 372879 (1S,5S,6S)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 286 Beta-secretase 1 Homo sapiens 71.2 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555099 402359814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739780 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C23H22F2N6O2S/c1-5-6-33-18-12-27-16(11-28-18)15(24)8-13-7-14(19(25)29-10-13)22(2)17-9-23(17,20(32)31(3)4)34-21(26)30-22/h1,7-8,10-12,17H,6,9H2,2-4H3,(H2,26,30)/b15-8-/t17-,22+,23-/m0/s1 QARZSAHNYVWRSL-FEHPPSAASA-N 372881 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 287 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285483 402359816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739783 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(C)=O)cn2)cnc1F InChI=1S/C23H24F2N6O3S/c1-12(32)11-34-18-10-27-16(9-28-18)15(24)6-13-5-14(19(25)29-8-13)22(2)17-7-23(17,20(33)31(3)4)35-21(26)30-22/h5-6,8-10,17H,7,11H2,1-4H3,(H2,26,30)/b15-6-/t17-,22+,23-/m0/s1 RFAZLBCCEUZJRG-IIRCZYLOSA-N 372882 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2-oxopropoxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 288 Beta-secretase 1 Homo sapiens 365 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285436 402359817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739786 CC#CCOc1cnc(cn1)C(\F)=C\c1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C InChI=1S/C24H24F2N6O2S/c1-5-6-7-34-19-13-28-17(12-29-19)16(25)9-14-8-15(20(26)30-11-14)23(2)18-10-24(18,21(33)32(3)4)35-22(27)31-23/h8-9,11-13,18H,7,10H2,1-4H3,(H2,27,31)/b16-9-/t18-,23+,24-/m0/s1 SASREFBZYITCBN-DEKDSERASA-N 372883 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 289 Beta-secretase 1 Homo sapiens 0.800 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285422 402359818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739789 C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C25H24F2N6O2S/c1-14-13-35-6-5-33(14)22(34)25-9-20(25)24(2,32-23(29)36-25)17-7-16(12-31-21(17)27)8-18(26)19-4-3-15(10-28)11-30-19/h3-4,7-8,11-12,14,20H,5-6,9,13H2,1-2H3,(H2,29,32)/b18-8-/t14-,20+,24-,25+/m1/s1 JCSLWTXLMPNZAK-GAUIWLPGSA-N 372884 6-((Z)-2-(5-((1S,5S,6S)-3-amino-5-methyl-1-((R)-3-methylmorpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 290 Beta-secretase 1 Homo sapiens 15.8 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285465 402359819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739792 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)cnc1F InChI=1S/C23H22F6N6O2S/c1-21(15-6-22(15,19(36)35(2)3)38-20(30)34-21)12-4-11(7-33-17(12)25)5-13(24)14-8-32-16(9-31-14)37-10-23(28,29)18(26)27/h4-5,7-9,15,18H,6,10H2,1-3H3,(H2,30,34)/b13-5-/t15-,21+,22-/m0/s1 QAWFDOHXDZMIJD-WCAZPXQRSA-N 372885 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 291 Beta-secretase 1 Homo sapiens 40.6 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285490 402359820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739795 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C26H25F2N5O3S/c1-3-8-36-22-15-30-20(14-31-22)19(28)12-16-4-5-18(27)17(11-16)25(2)21-13-26(21,37-24(29)32-25)23(34)33-6-9-35-10-7-33/h1,4-5,11-12,14-15,21H,6-10,13H2,2H3,(H2,29,32)/b19-12-/t21-,25+,26-/m0/s1 CJZWMPMJEVFVLS-QBIJIEJISA-N 372886 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 292 Beta-secretase 1 Homo sapiens 0.400 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557050 402359821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739798 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4OS/c1-21(19-9-22(19,12-29-2)30-20(26)28-21)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(10-25)11-27-18/h3-8,11,19H,9,12H2,1-2H3,(H2,26,28)/b17-8-/t19-,21+,22+/m0/s1 OBIFLVXHXRJOKM-FQRJWFRCSA-N 372887 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 293 Beta-secretase 1 Homo sapiens 16.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523873 402359822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739801 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C22H19F2N5O3S/c1-4-5-32-17-11-26-15(10-27-17)14(23)7-12-6-13(18(24)28-9-12)21(2)16-8-22(16,19(30)31-3)33-20(25)29-21/h1,6-7,9-11,16H,5,8H2,2-3H3,(H2,25,29)/b14-7-/t16-,21+,22-/m0/s1 ZRXUXWQFQQWSLZ-XULIFMQASA-N 372888 (1S,5S,6S)-methyl 3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate methanone::US10246429, Example 294 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557639 402359823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739804 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C25H23F3N6O2S/c1-3-6-36-20-12-30-18(11-31-20)17(27)8-14-7-16(21(28)32-10-14)24(2)19-9-25(19,37-23(29)33-24)22(35)34-5-4-15(26)13-34/h1,7-8,10-12,15,19H,4-6,9,13H2,2H3,(H2,29,33)/b17-8-/t15-,19+,24-,25+/m1/s1 VIRFKBOLQBPCOG-YTQMNEKISA-N 372889 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((R)-3-fluoropyrrolidin-1-yl)methanone::US10246429, Example 295 Beta-secretase 1 Homo sapiens 0.800 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285417 402359824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739807 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)cnc1F InChI=1S/C21H19F2N7OS/c1-20(16-6-21(16,18(31)30(2)3)32-19(25)29-20)13-4-11(8-28-17(13)23)5-14(22)15-10-26-12(7-24)9-27-15/h4-5,8-10,16H,6H2,1-3H3,(H2,25,29)/b14-5-/t16-,20+,21-/m0/s1 XDROLWNSUUTKLM-RWBWBGHRSA-N 372890 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyrazin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 296 Beta-secretase 1 Homo sapiens 11.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558791 402359825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739810 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C26H24F3N5O2S/c1-3-8-36-22-13-31-20(12-32-22)19(29)10-15-4-5-18(28)17(9-15)25(2)21-11-26(21,37-24(30)33-25)23(35)34-7-6-16(27)14-34/h1,4-5,9-10,12-13,16,21H,6-8,11,14H2,2H3,(H2,30,33)/b19-10-/t16-,21+,25-,26+/m1/s1 YLLZTZREIRJLLF-OGGGKMIRSA-N 372891 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((R)-3-fluoropyrrolidin-1-yl)methanone::US10246429, Example 297 Beta-secretase 1 Homo sapiens 0.900 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285415 402359826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739813 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C26H24F2N6O3S/c1-25(18-4-15(9-32-22(18)28)5-19(27)20-3-2-14(7-29)8-31-20)21-6-26(21,38-24(30)33-25)23(35)34-16-10-36-12-17(34)13-37-11-16/h2-5,8-9,16-17,21H,6,10-13H2,1H3,(H2,30,33)/b19-5-/t16?,17?,21-,25+,26-/m0/s1 DOAYGPXPPWHUOR-LQVZRUJSSA-N 372892 6-((Z)-2-(5-((1S,5S,6S)-3-amino-1-((1R,5R)-3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 298 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285409 402359827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739816 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C21H19F2N5OS/c1-20(18-7-21(18,11-29-2)30-19(25)28-20)14-5-12(3-4-15(14)22)6-16(23)17-10-26-13(8-24)9-27-17/h3-6,9-10,18H,7,11H2,1-2H3,(H2,25,28)/b16-6-/t18-,20+,21+/m0/s1 ZJFWPRDOUZWEBL-YXTORIBGSA-N 372893 5-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 299 Beta-secretase 1 Homo sapiens 7.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557060 402359828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739819 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C23H20F4N6O2S/c1-3-4-35-18-11-29-15(9-30-18)14(24)6-12-5-13(19(27)31-8-12)22(2)16-7-23(16,36-21(28)33-22)20(34)32-10-17(25)26/h1,5-6,8-9,11,16-17H,4,7,10H2,2H3,(H2,28,33)(H,32,34)/b14-6-/t16-,22+,23-/m0/s1 MBHAWZUOENKHQB-JHSRIWHPSA-N 372894 (1S,5S,6S)-3-amino-N-(2,2-difluoroethyl)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 300 Beta-secretase 1 Homo sapiens 2.50 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285404 402359829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739822 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C25H24F2N6O3S/c1-3-6-36-20-14-29-18(13-30-20)17(26)10-15-9-16(21(27)31-12-15)24(2)19-11-25(19,37-23(28)32-24)22(34)33-4-7-35-8-5-33/h1,9-10,12-14,19H,4-8,11H2,2H3,(H2,28,32)/b17-10-/t19-,24+,25-/m0/s1 BCTKVJVJCJQKOO-FWQJVDQLSA-N 372895 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 301 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557059 402359830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739259 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF3N3OS/c1-29-11-20-8-18(20)21(10-23,28-19(26)30-20)14-6-12(2-4-15(14)24)7-16(25)17-5-3-13(22)9-27-17/h2-7,9,18H,8,10-11H2,1H3,(H2,26,28)/b16-7-/t18-,20-,21-/m1/s1 DGFXDPYXKFNNAW-RPXRUMITSA-N 372696 (1S,5S,6S)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 100 Beta-secretase 1 Homo sapiens 22.8 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524156 402359632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739262 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF3N3OS/c1-29-11-20-8-18(20)21(10-23,28-19(26)30-20)14-6-12(2-4-15(14)24)7-16(25)17-5-3-13(22)9-27-17/h2-7,9,18H,8,10-11H2,1H3,(H2,26,28)/b16-7+/t18-,20-,21-/m1/s1 DGFXDPYXKFNNAW-VDTLHJFLSA-N 372697 (1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 101 Beta-secretase 1 Homo sapiens 303 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524829 402359633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739265 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C22H21ClF2N4OS/c1-21(18-10-22(18,19(30)29(2)3)31-20(26)28-21)14-8-12(4-6-15(14)24)9-16(25)17-7-5-13(23)11-27-17/h4-9,11,18H,10H2,1-3H3,(H2,26,28)/b16-9-/t18-,21+,22-/m0/s1 WDEGRKJIJHXYSL-LLYJTOGPSA-N 372698 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 102 Beta-secretase 1 Homo sapiens 4.83 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557034 402359634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739268 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H23ClF2N4OS/c1-23(20-12-24(20,33-22(28)30-23)21(32)31-8-2-3-9-31)16-10-14(4-6-17(16)26)11-18(27)19-7-5-15(25)13-29-19/h4-7,10-11,13,20H,2-3,8-9,12H2,1H3,(H2,28,30)/b18-11-/t20-,23+,24-/m0/s1 XUGARFJMQNSIGG-JXOCDECTSA-N 372699 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(pyrrolidin-1-yl)methanone::US10246429, Example 103 Beta-secretase 1 Homo sapiens 1.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556982 402359635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739271 COc1ccc(nc1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1 InChI=1S/C25H26F2N4O2S/c1-24(21-13-25(21,34-23(28)30-24)22(32)31-9-3-4-10-31)17-11-15(5-7-18(17)26)12-19(27)20-8-6-16(33-2)14-29-20/h5-8,11-12,14,21H,3-4,9-10,13H2,1-2H3,(H2,28,30)/b19-12-/t21-,24+,25-/m0/s1 YOAUIBLLTVYUGO-BJOHRBRLSA-N 372700 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-methoxypyridin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(pyrrolidin-1-yl)methanone::US10246429, Example 104 Beta-secretase 1 Homo sapiens 22.6 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556776 402359636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739274 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C21H18BrF2N3O2S/c1-20(17-9-21(17,18(28)29-2)30-19(25)27-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(22)10-26-16/h3-8,10,17H,9H2,1-2H3,(H2,25,27)/b15-8-/t17-,20+,21-/m0/s1 NAVNVHWZYSPMIE-NZUJZPRYSA-N 372701 (1S,5S,6S)-methyl 3-amino-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 105 Beta-secretase 1 Homo sapiens 25.8 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558743 402359637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739277 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H21F2N5OS/c1-22(19-10-23(19,20(31)30(2)3)32-21(27)29-22)15-8-13(4-6-16(15)24)9-17(25)18-7-5-14(11-26)12-28-18/h4-9,12,19H,10H2,1-3H3,(H2,27,29)/b17-9-/t19-,22+,23-/m0/s1 JZDMWPTVBRAJMZ-OZNMDXOXSA-N 372702 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 106 Beta-secretase 1 Homo sapiens 2.53 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557036 402359638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739280 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5OS/c1-24(21-12-25(21,34-23(29)31-24)22(33)32-8-2-3-9-32)17-10-15(4-6-18(17)26)11-19(27)20-7-5-16(13-28)14-30-20/h4-7,10-11,14,21H,2-3,8-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 BVIPSJSEJQGVKV-MYMUPAQMSA-N 372703 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 107 Beta-secretase 1 Homo sapiens 0.673 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524148 402359639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739283 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C22H21BrF2N4OS/c1-21(18-10-22(18,19(30)29(2)3)31-20(26)28-21)14-8-12(4-6-15(14)24)9-16(25)17-7-5-13(23)11-27-17/h4-9,11,18H,10H2,1-3H3,(H2,26,28)/b16-9-/t18-,21+,22-/m0/s1 JEZBKOATHZHSCP-LLYJTOGPSA-N 372704 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 108 Beta-secretase 1 Homo sapiens 1.99 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556778 402359640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739286 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C27H26F2N4OS/c1-26(23-14-27(23,24(34)33(2)3)35-25(30)32-26)19-12-18(8-10-20(19)28)13-21(29)22-11-9-17(15-31-22)7-6-16-4-5-16/h8-13,15-16,23H,4-5,14H2,1-3H3,(H2,30,32)/b21-13-/t23-,26+,27-/m0/s1 SZZGETRLWMCVJX-PGXJAGERSA-N 372705 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethynyl)pyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 109 Beta-secretase 1 Homo sapiens 8.49 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557047 402359641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739289 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#C)ccc1F InChI=1S/C24H22F2N4OS/c1-5-14-7-9-19(28-13-14)18(26)11-15-6-8-17(25)16(10-15)23(2)20-12-24(20,21(31)30(3)4)32-22(27)29-23/h1,6-11,13,20H,12H2,2-4H3,(H2,27,29)/b18-11-/t20-,23+,24-/m0/s1 DLBWKNCRWZWDQQ-JXOCDECTSA-N 372706 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-ethynylpyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 110 Beta-secretase 1 Homo sapiens 3.24 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285450 402359642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739292 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H18ClF2N3O2S/c1-20(17-9-21(17,18(28)29-2)30-19(25)27-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(22)10-26-16/h3-8,10,17H,9H2,1-2H3,(H2,25,27)/b15-8-/t17-,20+,21-/m0/s1 MRYONVWXWKVXGY-NZUJZPRYSA-N 372707 (1S,5S,6S)-methyl 3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 111 Beta-secretase 1 Homo sapiens 95.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558744 402359643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739295 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H21ClF2N4OS/c1-22(19-11-23(19,32-21(27)29-22)20(31)30-7-2-8-30)15-9-13(3-5-16(15)25)10-17(26)18-6-4-14(24)12-28-18/h3-6,9-10,12,19H,2,7-8,11H2,1H3,(H2,27,29)/b17-10-/t19-,22+,23-/m0/s1 CTGDPCAUHWPMSQ-NKUXOPIZSA-N 372708 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(azetidin-1-yl)methanone::US10246429, Example 112 Beta-secretase 1 Homo sapiens 1.83 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558747 402359644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739298 C[C@@]1(N=C(N)S[C@@]2(CO)C[C@@H]12)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF2N3OS/c1-19(17-8-20(17,10-27)28-18(24)26-19)13-6-11(2-4-14(13)22)7-15(23)16-5-3-12(21)9-25-16/h2-7,9,17,27H,8,10H2,1H3,(H2,24,26)/b15-7-/t17-,19+,20+/m0/s1 JVSPQAGFOFURHW-QMSWDQOWSA-N 372709 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)methanol::US10246429, Example 113 Beta-secretase 1 Homo sapiens 28.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556780 402359645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739301 C[C@@]1(N=C(N)S[C@@]2(CC#N)C[C@@H]12)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H17ClF2N4S/c1-20(18-10-21(18,6-7-25)29-19(26)28-20)14-8-12(2-4-15(14)23)9-16(24)17-5-3-13(22)11-27-17/h2-5,8-9,11,18H,6,10H2,1H3,(H2,26,28)/b16-9-/t18-,20+,21-/m0/s1 ACDPGWGMCNPVMI-JYTMSLEBSA-N 372710 2-((1R,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)acetonitrile::US10246429, Example 114 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557054 402359646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739304 CC(O)CCNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H25ClF2N4O2S/c1-13(32)7-8-29-21(33)24-11-20(24)23(2,31-22(28)34-24)16-9-14(3-5-17(16)26)10-18(27)19-6-4-15(25)12-30-19/h3-6,9-10,12-13,20,32H,7-8,11H2,1-2H3,(H2,28,31)(H,29,33)/b18-10-/t13?,20-,23+,24-/m0/s1 KPXIRWMBYIHURD-OADSIHPSSA-N 372711 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N-(3-hydroxybutyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 115 Beta-secretase 1 Homo sapiens 8.28 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557057 402359647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739307 CC1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H23ClF2N4OS/c1-13-7-8-31(13)21(32)24-11-20(24)23(2,30-22(28)33-24)16-9-14(3-5-17(16)26)10-18(27)19-6-4-15(25)12-29-19/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H2,28,30)/b18-10-/t13?,20-,23+,24-/m0/s1 DHQPJSRTYUHTOL-OADSIHPSSA-N 372712 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(2-methylazetidin-1-yl)methanone::US10246429, Example 116 Beta-secretase 1 Homo sapiens 6.23 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557109 402359648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739310 COC[C@@H]1CCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C26H27ClF2N4O2S/c1-25(18-10-15(5-7-19(18)28)11-20(29)21-8-6-16(27)13-31-21)22-12-26(22,36-24(30)32-25)23(34)33-9-3-4-17(33)14-35-2/h5-8,10-11,13,17,22H,3-4,9,12,14H2,1-2H3,(H2,30,32)/b20-11-/t17-,22-,25+,26-/m0/s1 RGUOHKUAYMYLSM-GNKRUJPDSA-N 372713 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((S)-2-(methoxymethyl)pyrrolidin-1-yl)methanone::US10246429, Example 117 Beta-secretase 1 Homo sapiens 5.87 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557477 402359649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739313 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)Nc1ccccc1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C26H21ClF2N4OS/c1-25(18-11-15(7-9-19(18)28)12-20(29)21-10-8-16(27)14-31-21)22-13-26(22,35-24(30)33-25)23(34)32-17-5-3-2-4-6-17/h2-12,14,22H,13H2,1H3,(H2,30,33)(H,32,34)/b20-12-/t22-,25+,26-/m0/s1 XEIRWLNICFKQIW-VPLUUOPTSA-N 372714 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-N-phenyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 118 Beta-secretase 1 Homo sapiens 29.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557480 402359650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739316 C[C@H]1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H23ClF2N4OS/c1-13-7-8-31(13)21(32)24-11-20(24)23(2,30-22(28)33-24)16-9-14(3-5-17(16)26)10-18(27)19-6-4-15(25)12-29-19/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H2,28,30)/b18-10-/t13-,20-,23+,24-/m0/s1 DHQPJSRTYUHTOL-HPUSVVHXSA-N 372715 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((S)-2-methylazetidin-1-yl)methanone::US10246429, Example 119 Beta-secretase 1 Homo sapiens 3.40 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557113 402359651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739319 C[C@@H]1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C24H23ClF2N4OS/c1-13-7-8-31(13)21(32)24-11-20(24)23(2,30-22(28)33-24)16-9-14(3-5-17(16)26)10-18(27)19-6-4-15(25)12-29-19/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H2,28,30)/b18-10-/t13-,20+,23-,24+/m1/s1 DHQPJSRTYUHTOL-WQBQOYPWSA-N 372716 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((R)-2-methylazetidin-1-yl)methanone::US10246429, Example 120 Beta-secretase 1 Homo sapiens 2.75 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557112 402359652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739825 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C24H21F4N5O2S/c1-3-6-35-20-12-30-17(10-31-20)16(26)8-13-4-5-15(25)14(7-13)23(2)18-9-24(18,36-22(29)33-23)21(34)32-11-19(27)28/h1,4-5,7-8,10,12,18-19H,6,9,11H2,2H3,(H2,29,33)(H,32,34)/b16-8-/t18-,23+,24-/m0/s1 OMRBGNNPYNAVLS-GWSKSGCMSA-N 372896 (1S,5S,6S)-3-amino-N-(2,2-difluoroethyl)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 302 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557091 402359831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739828 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C26H24F3N5O2S/c1-3-8-36-22-13-31-20(12-32-22)19(29)10-15-4-5-18(28)17(9-15)25(2)21-11-26(21,37-24(30)33-25)23(35)34-7-6-16(27)14-34/h1,4-5,9-10,12-13,16,21H,6-8,11,14H2,2H3,(H2,30,33)/b19-10-/t16-,21-,25+,26-/m0/s1 YLLZTZREIRJLLF-GOODSBEGSA-N 372897 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((S)-3-fluoropyrrolidin-1-yl)methanone::US10246429, Example 303 Beta-secretase 1 Homo sapiens 0.400 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285429 402359832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739831 C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C27H27F2N5O3S/c1-4-8-37-23-14-31-21(13-32-23)20(29)11-17-5-6-19(28)18(10-17)26(3)22-12-27(22,38-25(30)33-26)24(35)34-7-9-36-15-16(34)2/h1,5-6,10-11,13-14,16,22H,7-9,12,15H2,2-3H3,(H2,30,33)/b20-11-/t16-,22+,26-,27+/m1/s1 JSGSQFIXRWAYDP-CSBZHDBQSA-N 372898 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((R)-3-methylmorpholino)methanone::US10246429, Example 304 Beta-secretase 1 Homo sapiens 0.600 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558800 402359833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739834 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C23H23F2N3O3S/c1-22(20-10-23(20,12-29-2)32-21(26)28-22)14-7-13(3-4-15(14)24)8-16(25)17-9-18-19(11-27-17)31-6-5-30-18/h3-4,7-9,11,20H,5-6,10,12H2,1-2H3,(H2,26,28)/b16-8-/t20-,22+,23+/m0/s1 XEBSJKGULZALCC-JEXWFEAASA-N 372899 (1S,5S,6S)-5-(5-((Z)-2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluorovinyl)-2-fluorophenyl)-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 305 Beta-secretase 1 Homo sapiens 1755 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285382 402359834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739837 C[C@H]1[C@@H](F)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H24F3N5OS/c1-14-18(27)7-8-34(14)23(35)26-11-22(26)25(2,33-24(31)36-26)17-9-15(3-5-19(17)28)10-20(29)21-6-4-16(12-30)13-32-21/h3-6,9-10,13-14,18,22H,7-8,11H2,1-2H3,(H2,31,33)/b20-10-/t14-,18-,22-,25+,26-/m0/s1 DFYAUWDSHXLSJC-WGIYXMAXSA-N 372900 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2S,3S)-3-fluoro-2-methylpyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 306 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523867 402359835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739840 C[C@@H]1[C@H](F)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H24F3N5OS/c1-14-18(27)7-8-34(14)23(35)26-11-22(26)25(2,33-24(31)36-26)17-9-15(3-5-19(17)28)10-20(29)21-6-4-16(12-30)13-32-21/h3-6,9-10,13-14,18,22H,7-8,11H2,1-2H3,(H2,31,33)/b20-10-/t14-,18-,22+,25-,26+/m1/s1 DFYAUWDSHXLSJC-OJNSPYEBSA-N 372901 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2R,3R)-3-fluoro-2-methylpyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 307 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523950 402359836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739843 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOC2(COC2)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H25F2N5O3S/c1-25(18-8-16(2-4-19(18)28)9-20(29)21-5-3-17(11-30)12-32-21)22-10-27(22,38-24(31)33-25)23(35)34-6-7-37-26(13-34)14-36-15-26/h2-5,8-9,12,22H,6-7,10,13-15H2,1H3,(H2,31,33)/b20-9-/t22-,25+,27-/m0/s1 WYHSXLPYCWHUCK-YNXNWOFFSA-N 372902 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(2,5-dioxa-8-azaspiro[3.5]nonane-8-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 308 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557766 402359837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739846 C[C@]1(O)CCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5O2S/c1-24(35)7-8-33(14-24)22(34)26-11-21(26)25(2,32-23(30)36-26)17-9-15(3-5-18(17)27)10-19(28)20-6-4-16(12-29)13-31-20/h3-6,9-10,13,21,35H,7-8,11,14H2,1-2H3,(H2,30,32)/b19-10-/t21-,24-,25+,26-/m0/s1 ACNOVNMEJRDKTF-QAWPSLBMSA-N 372903 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 309::US10246429, Example 310 Beta-secretase 1 Homo sapiens 0.600 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557237 402359838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739849 C[C@]1(O)CCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5O2S/c1-24(35)7-8-33(14-24)22(34)26-11-21(26)25(2,32-23(30)36-26)17-9-15(3-5-18(17)27)10-19(28)20-6-4-16(12-29)13-31-20/h3-6,9-10,13,21,35H,7-8,11,14H2,1-2H3,(H2,30,32)/b19-10-/t21-,24-,25+,26-/m0/s1 ACNOVNMEJRDKTF-QAWPSLBMSA-N 372903 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 309::US10246429, Example 310 Beta-secretase 1 Homo sapiens 0.900 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557237 402359838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739852 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCO[C@H]2C[C@@H]12)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H23F2N5O2S/c1-25(16-8-14(2-4-17(16)27)9-18(28)19-5-3-15(12-29)13-31-19)22-11-26(22,36-24(30)32-25)23(34)33-6-7-35-21-10-20(21)33/h2-5,8-9,13,20-22H,6-7,10-11H2,1H3,(H2,30,32)/b18-9-/t20-,21+,22+,25-,26+/m1/s1 XYFWWLGMDVICID-DLQDBSQJSA-N 372905 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptane-5-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 311::US10246429, Example 312 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285449 402359839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739855 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCO[C@H]2C[C@@H]12)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H23F2N5O2S/c1-25(16-8-14(2-4-17(16)27)9-18(28)19-5-3-15(12-29)13-31-19)22-11-26(22,36-24(30)32-25)23(34)33-6-7-35-21-10-20(21)33/h2-5,8-9,13,20-22H,6-7,10-11H2,1H3,(H2,30,32)/b18-9-/t20-,21+,22+,25-,26+/m1/s1 XYFWWLGMDVICID-DLQDBSQJSA-N 372905 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptane-5-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 311::US10246429, Example 312 Beta-secretase 1 Homo sapiens 1.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285449 402359839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739858 C[C@H]1COC[C@@H](C)N1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-15-13-36-14-16(2)34(15)24(35)27-10-23(27)26(3,33-25(31)37-27)19-8-17(4-6-20(19)28)9-21(29)22-7-5-18(11-30)12-32-22/h4-9,12,15-16,23H,10,13-14H2,1-3H3,(H2,31,33)/b21-9-/t15-,16+,23-,26+,27-/m0/s1 QHATUSKGDTYXBK-CRCIOUFOSA-N 372907 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((3S,5R)-3,5-dimethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 313 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557242 402359840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739861 C[C@@H]1COC[C@@H](C)N1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-15-13-36-14-16(2)34(15)24(35)27-10-23(27)26(3,33-25(31)37-27)19-8-17(4-6-20(19)28)9-21(29)22-7-5-18(11-30)12-32-22/h4-9,12,15-16,23H,10,13-14H2,1-3H3,(H2,31,33)/b21-9-/t15-,16-,23+,26-,27+/m1/s1 QHATUSKGDTYXBK-LFDWGKEUSA-N 372908 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((3R,5R)-3,5-dimethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 314 Beta-secretase 1 Homo sapiens 4.70 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556900 402359841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739864 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1C2CCC1COC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H25F2N5O2S/c1-26(19-8-15(2-6-20(19)28)9-21(29)22-7-3-16(11-30)12-32-22)23-10-27(23,37-25(31)33-26)24(35)34-17-4-5-18(34)14-36-13-17/h2-3,6-9,12,17-18,23H,4-5,10,13-14H2,1H3,(H2,31,33)/b21-9-/t17?,18?,23-,26+,27-/m0/s1 WALWAYAYWTTWRZ-SFHIZKDYSA-N 372909 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 315 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556908 402359842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739867 CC(C)[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H29F2N5O2S/c1-16(2)23-15-35(8-9-37-23)25(36)28-12-24(28)27(3,34-26(32)38-28)19-10-17(4-6-20(19)29)11-21(30)22-7-5-18(13-31)14-33-22/h4-7,10-11,14,16,23-24H,8-9,12,15H2,1-3H3,(H2,32,34)/b21-11-/t23-,24+,27-,28+/m1/s1 ZFNVGDSREKPUGX-IAKCUAKVSA-N 372911 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-2-isopropylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 316 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557243 402359844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739870 CC(C)[C@@H]1CN(CCO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H29F2N5O2S/c1-16(2)23-15-35(8-9-37-23)25(36)28-12-24(28)27(3,34-26(32)38-28)19-10-17(4-6-20(19)29)11-21(30)22-7-5-18(13-31)14-33-22/h4-7,10-11,14,16,23-24H,8-9,12,15H2,1-3H3,(H2,32,34)/b21-11-/t23-,24-,27+,28-/m0/s1 ZFNVGDSREKPUGX-OBOGUXCMSA-N 372912 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-2-isopropylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 317 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556657 402359845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739873 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOC2(CC2)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H25F2N5O2S/c1-25(18-10-16(2-4-19(18)28)11-20(29)21-5-3-17(13-30)14-32-21)22-12-27(22,37-24(31)33-25)23(35)34-8-9-36-26(15-34)6-7-26/h2-5,10-11,14,22H,6-9,12,15H2,1H3,(H2,31,33)/b20-11-/t22-,25+,27-/m0/s1 UTWRSCAMZWMCGR-HHHJTNMUSA-N 372913 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(4-oxa-7-azaspiro[2.5]octane-7-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 318 Beta-secretase 1 Homo sapiens 2.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285418 402359846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739876 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC2(C1)CCOCC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H27F2N5O2S/c1-26(19-10-17(2-4-20(19)29)11-21(30)22-5-3-18(13-31)14-33-22)23-12-28(23,38-25(32)34-26)24(36)35-15-27(16-35)6-8-37-9-7-27/h2-5,10-11,14,23H,6-9,12,15-16H2,1H3,(H2,32,34)/b21-11-/t23-,26+,28-/m0/s1 LOAMOHNMIZGTEO-TVMKHPBUSA-N 372914 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(4-oxa-7-azaspiro[2.5]octane-7-6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 319 Beta-secretase 1 Homo sapiens 2.50 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556917 402359847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739879 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC2(C1)CCOCC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H27F2N5O2S/c1-26(19-10-17(2-4-20(19)29)11-21(30)22-5-3-18(13-31)14-33-22)23-12-28(23,38-25(32)34-26)24(36)35-15-27(16-35)6-8-37-9-7-27/h2-5,10-11,14,23H,6-9,12,15-16H2,1H3,(H2,32,34)/b21-11-/t23-,26+,28-/m0/s1 LOAMOHNMIZGTEO-TVMKHPBUSA-N 372915 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 320 Beta-secretase 1 Homo sapiens 5.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556917 402359848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739882 C[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5O2S/c1-15-14-33(7-8-35-15)23(34)26-11-22(26)25(2,32-24(30)36-26)18-9-16(3-5-19(18)27)10-20(28)21-6-4-17(12-29)13-31-21/h3-6,9-10,13,15,22H,7-8,11,14H2,1-2H3,(H2,30,32)/b20-10-/t15-,22-,25+,26-/m0/s1 VPSXLXIKSSLDME-YRXDLUBPSA-N 372916 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-((S)-2-methylmorpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 321 Beta-secretase 1 Homo sapiens 3.50 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557180 402359849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739322 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NC1CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H21F2N5OS/c1-23(20-10-24(20,33-22(28)31-23)21(32)30-15-4-5-15)16-8-13(2-6-17(16)25)9-18(26)19-7-3-14(11-27)12-29-19/h2-3,6-9,12,15,20H,4-5,10H2,1H3,(H2,28,31)(H,30,32)/b18-9-/t20-,23+,24-/m0/s1 XYHMVQVKHCUFNM-AWTRGSECSA-N 372717 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N-cyclopropyl-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 121 Beta-secretase 1 Homo sapiens 9.32 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557688 402359653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739325 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H21F4N5OS/c1-23(20-10-25(20,36-22(31)33-23)21(35)34-7-6-24(28,29)13-34)16-8-14(2-4-17(16)26)9-18(27)19-5-3-15(11-30)12-32-19/h2-5,8-9,12,20H,6-7,10,13H2,1H3,(H2,31,33)/b18-9-/t20-,23+,25-/m0/s1 FQGIAWZPFOIVNT-OMZASBRBSA-N 372718 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3,3-difluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 122 Beta-secretase 1 Homo sapiens 1.66 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557080 402359654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739328 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H21F2N5OS/c1-23(20-11-24(20,33-22(28)30-23)21(32)31-7-2-8-31)16-9-14(3-5-17(16)25)10-18(26)19-6-4-15(12-27)13-29-19/h3-6,9-10,13,20H,2,7-8,11H2,1H3,(H2,28,30)/b18-10-/t20-,23+,24-/m0/s1 HLXYTIWCONMVCO-GQRGEFGTSA-N 372719 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(azetidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 123 Beta-secretase 1 Homo sapiens 1.36 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524300 402359655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739331 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 VZHFJCNPAIRJSA-MYMUPAQMSA-N 372720 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 124 Beta-secretase 1 Homo sapiens 1.73 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search U64 6WNY 126557115 402359656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739334 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5O2S/c1-24(21-10-25(21,35-23(29)31-24)22(34)32-7-6-16(33)13-32)17-8-14(2-4-18(17)26)9-19(27)20-5-3-15(11-28)12-30-20/h2-5,8-9,12,16,21,33H,6-7,10,13H2,1H3,(H2,29,31)/b19-9-/t16-,21-,24+,25-/m0/s1 IBWXJAVCODUFQB-SBPSGRQOSA-N 372721 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-hydroxypyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 125 Beta-secretase 1 Homo sapiens 0.592 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557124 402359657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739337 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H22F3N5OS/c1-24(21-10-25(21,35-23(30)32-24)22(34)33-7-6-16(26)13-33)17-8-14(2-4-18(17)27)9-19(28)20-5-3-15(11-29)12-31-20/h2-5,8-9,12,16,21H,6-7,10,13H2,1H3,(H2,30,32)/b19-9-/t16-,21+,24-,25+/m1/s1 LDZLINYMNZPQDX-GVZVELPGSA-N 372722 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-fluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 126 Beta-secretase 1 Homo sapiens 0.518 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524406 402359658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739340 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H22F3N5OS/c1-24(21-10-25(21,35-23(30)32-24)22(34)33-7-6-16(26)13-33)17-8-14(2-4-18(17)27)9-19(28)20-5-3-15(11-29)12-31-20/h2-5,8-9,12,16,21H,6-7,10,13H2,1H3,(H2,30,32)/b19-9-/t16-,21-,24+,25-/m0/s1 LDZLINYMNZPQDX-SBPSGRQOSA-N 372723 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-fluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 127 Beta-secretase 1 Homo sapiens 0.509 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524416 402359659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739343 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NC1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5O2S/c1-25(22-12-26(22,36-24(30)33-25)23(34)32-17-6-8-35-9-7-17)18-10-15(2-4-19(18)27)11-20(28)21-5-3-16(13-29)14-31-21/h2-5,10-11,14,17,22H,6-9,12H2,1H3,(H2,30,33)(H,32,34)/b20-11-/t22-,25+,26-/m0/s1 FMDQBZFEGDOSSX-RTQJJNGSSA-N 372724 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-N-(tetrahydro-2H-pyran-4-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 128 Beta-secretase 1 Homo sapiens 3.31 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558752 402359660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739346 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1Cc2ccccc2C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C29H23F2N5OS/c1-28(21-10-17(6-8-22(21)30)11-23(31)24-9-7-18(13-32)14-34-24)25-12-29(25,38-27(33)35-28)26(37)36-15-19-4-2-3-5-20(19)16-36/h2-11,14,25H,12,15-16H2,1H3,(H2,33,35)/b23-11-/t25-,28+,29-/m0/s1 HYFDUAZKGHOXSC-YFPHVNJUSA-N 372725 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(isoindoline-2-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile bis(2,2,2-trifluoroacetate)::US10246429, Example 129 Beta-secretase 1 Homo sapiens 1.17 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524380 402359661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739349 COC(=O)[C@H]1CCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H25F2N5O3S/c1-26(17-10-15(5-7-18(17)28)11-19(29)20-8-6-16(13-30)14-32-20)22-12-27(22,38-25(31)33-26)24(36)34-9-3-4-21(34)23(35)37-2/h5-8,10-11,14,21-22H,3-4,9,12H2,1-2H3,(H2,31,33)/b19-11-/t21-,22+,26-,27+/m1/s1 MGMSMRUVMOSSHQ-NNQLRQPNSA-N 372726 (R)-methyl 1-((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carbonyl)pyrrolidine-2-carboxylate bis(2,2,2-trifluoroacetate)::US10246429, Example 130 Beta-secretase 1 Homo sapiens 3.40 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557485 402359662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739352 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCN(CC1)c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C31H28F2N6OS/c1-30(23-15-20(7-9-24(23)32)16-25(33)26-10-8-21(18-34)19-36-26)27-17-31(27,41-29(35)37-30)28(40)39-13-11-38(12-14-39)22-5-3-2-4-6-22/h2-10,15-16,19,27H,11-14,17H2,1H3,(H2,35,37)/b25-16-/t27-,30+,31-/m0/s1 DLHIENGTCWBBLF-MMNKXQQRSA-N 372727 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(4-phenylpiperazine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 131 Beta-secretase 1 Homo sapiens 3.22 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558753 402359663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739355 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC2CC1CO2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H23F2N5O2S/c1-25(18-6-14(2-4-19(18)27)7-20(28)21-5-3-15(10-29)11-31-21)22-9-26(22,36-24(30)32-25)23(34)33-12-17-8-16(33)13-35-17/h2-7,11,16-17,22H,8-9,12-13H2,1H3,(H2,30,32)/b20-7-/t16?,17?,22-,25+,26-/m0/s1 KJBMIJNRRQQZKO-FHOJGWAWSA-N 372728 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 132 Beta-secretase 1 Homo sapiens 2.67 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557122 402359664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739358 C[C@@H]1CC[C@@H](C)N1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5OS/c1-15-4-5-16(2)34(15)24(35)27-12-23(27)26(3,33-25(31)36-27)19-10-17(6-8-20(19)28)11-21(29)22-9-7-18(13-30)14-32-22/h6-11,14-16,23H,4-5,12H2,1-3H3,(H2,31,33)/b21-11-/t15-,16-,23+,26-,27+/m1/s1 DKRZVJOGTBMHPK-KHAZCECESA-N 372729 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 133 Beta-secretase 1 Homo sapiens 3.62 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556783 402359665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739361 CN(C)[C@@H]1CCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H28F2N6OS/c1-26(19-10-16(4-6-20(19)28)11-21(29)22-7-5-17(13-30)14-32-22)23-12-27(23,37-25(31)33-26)24(36)35-9-8-18(15-35)34(2)3/h4-7,10-11,14,18,23H,8-9,12,15H2,1-3H3,(H2,31,33)/b21-11-/t18-,23+,26-,27+/m1/s1 NXBNDZMYICANRC-MHPWGYBPSA-N 372730 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-(dimethylamino)pyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 134 Beta-secretase 1 Homo sapiens 20.7 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524644 402359666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739364 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C30H31F2N5OS/c1-29(22-12-18(6-8-23(22)31)13-24(32)25-9-7-19(15-33)16-35-25)26-14-30(26,39-28(34)36-29)27(38)37-11-10-20-4-2-3-5-21(20)17-37/h6-9,12-13,16,20-21,26H,2-5,10-11,14,17H2,1H3,(H2,34,36)/b24-13-/t20-,21-,26-,29+,30-/m0/s1 OKCROLBQEYZDEH-GVYKSHRCSA-N 372731 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((4aS,8aR)-decahydroisoquinoline-2-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 135 Beta-secretase 1 Homo sapiens 0.527 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557690 402359667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739367 CC12CC(CC(C)(C)C1)N(C2)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C31H33F2N5OS/c1-28(2)11-20-12-29(3,16-28)17-38(20)26(39)31-13-25(31)30(4,37-27(35)40-31)21-9-18(5-7-22(21)32)10-23(33)24-8-6-19(14-34)15-36-24/h5-10,15,20,25H,11-13,16-17H2,1-4H3,(H2,35,37)/b23-10-/t20?,25-,29?,30+,31-/m0/s1 QKKFONCUTBWQBL-FMPGGSJUSA-N 372732 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 136 Beta-secretase 1 Homo sapiens 5.82 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285454 402359668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739370 CC1CC(C)CN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H29F2N5OS/c1-16-8-17(2)15-35(14-16)25(36)28-11-24(28)27(3,34-26(32)37-28)20-9-18(4-6-21(20)29)10-22(30)23-7-5-19(12-31)13-33-23/h4-7,9-10,13,16-17,24H,8,11,14-15H2,1-3H3,(H2,32,34)/b22-10-/t16?,17?,24-,27+,28-/m0/s1 DPNSZYKLPQSLQS-DBRDEATQSA-N 372733 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3,5-dimethylpiperidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 137 Beta-secretase 1 Homo sapiens 8.71 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557692 402359669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739373 CC1CCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5OS/c1-15-4-3-9-33(15)23(34)26-12-22(26)25(2,32-24(30)35-26)18-10-16(5-7-19(18)27)11-20(28)21-8-6-17(13-29)14-31-21/h5-8,10-11,14-15,22H,3-4,9,12H2,1-2H3,(H2,30,32)/b20-11-/t15?,22-,25+,26-/m0/s1 JXAIFXNHHPOZLG-HYWWUNLHSA-N 372734 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(2-methylpyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 138 Beta-secretase 1 Homo sapiens 1.56 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524754 402359670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739376 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(CC1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H24F5N5OS/c1-25(18-10-15(2-4-19(18)28)11-20(29)21-5-3-16(13-33)14-35-21)22-12-26(22,39-24(34)36-25)23(38)37-8-6-17(7-9-37)27(30,31)32/h2-5,10-11,14,17,22H,6-9,12H2,1H3,(H2,34,36)/b20-11-/t22-,25+,26-/m0/s1 GVHZDKUSTLNXJA-RTQJJNGSSA-N 372735 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(4-(trifluoromethyl)piperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 139 Beta-secretase 1 Homo sapiens 0.744 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524317 402359671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739379 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(C1)c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C32H29F2N5OS/c1-31(24-14-20(9-11-25(24)33)15-26(34)27-12-10-21(17-35)18-37-27)28-16-32(28,41-30(36)38-31)29(40)39-13-5-8-23(19-39)22-6-3-2-4-7-22/h2-4,6-7,9-12,14-15,18,23,28H,5,8,13,16,19H2,1H3,(H2,36,38)/b26-15-/t23?,28-,31+,32-/m0/s1 OKPCKVKUYLJLOU-RWUQKKDJSA-N 372736 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(3-phenylpiperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 140 Beta-secretase 1 Homo sapiens 0.958 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556786 402359672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739885 CC(C)[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H29F2N5O2S/c1-16(2)23-15-37-9-8-35(23)25(36)28-12-24(28)27(3,34-26(32)38-28)19-10-17(4-6-20(19)29)11-21(30)22-7-5-18(13-31)14-33-22/h4-7,10-11,14,16,23-24H,8-9,12,15H2,1-3H3,(H2,32,34)/b21-11-/t23-,24-,27+,28-/m0/s1 MQSSLRBZFVPDKD-OBOGUXCMSA-N 372917 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-isopropylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 322 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558793 402359850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 740011 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C22H19F5N4O2S/c1-20(17-9-21(17,18(32)29-2)34-19(28)31-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(10-30-16)33-22(25,26)27/h3-8,10,17H,9H2,1-2H3,(H2,28,31)(H,29,32)/b15-8-/t17-,20+,21-/m0/s1 AMSUFMIKAVJJHZ-NZUJZPRYSA-N 372959 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(trifluoromethoxy)pyridin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 364 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556918 402359891 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739382 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCN(CC2CC2)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C29H30F2N6OS/c1-28(21-12-19(4-6-22(21)30)13-23(31)24-7-5-20(15-32)16-34-24)25-14-29(25,39-27(33)35-28)26(38)37-10-8-36(9-11-37)17-18-2-3-18/h4-7,12-13,16,18,25H,2-3,8-11,14,17H2,1H3,(H2,33,35)/b23-13-/t25-,28+,29-/m0/s1 DNYXGRZKEWSFGX-OIIJDMPMSA-N 372737 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(4-(cyclopropylmethyl)piperazine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 141 Beta-secretase 1 Homo sapiens 57.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523956 402359673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739385 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCNC(=O)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H24F2N6O2S/c1-25(17-10-15(2-4-18(17)27)11-19(28)20-5-3-16(13-29)14-32-20)21-12-26(21,37-24(30)33-25)23(36)34-8-6-22(35)31-7-9-34/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,30,33)(H,31,35)/b19-11-/t21-,25+,26-/m0/s1 SWIQFRVYNIPNSJ-YTARNQHZSA-N 372738 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(5-oxo-1,4-diazepane-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 142 Beta-secretase 1 Homo sapiens 1.78 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524024 402359674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739388 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(C1)C#N)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H24F2N6OS/c1-26(19-9-16(4-6-20(19)28)10-21(29)22-7-5-17(12-30)14-33-22)23-11-27(23,37-25(32)34-26)24(36)35-8-2-3-18(13-31)15-35/h4-7,9-10,14,18,23H,2-3,8,11,15H2,1H3,(H2,32,34)/b21-10-/t18?,23-,26+,27-/m0/s1 VSIIJJHOPUKSIM-CSZIEDIISA-N 372739 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3-cyanopiperidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 143 Beta-secretase 1 Homo sapiens 1.23 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524423 402359675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739391 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCNC(=O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H22F2N6O2S/c1-24(20-10-25(20,36-23(29)32-24)22(35)33-7-6-30-21(34)13-33)16-8-14(2-4-17(16)26)9-18(27)19-5-3-15(11-28)12-31-19/h2-5,8-9,12,20H,6-7,10,13H2,1H3,(H2,29,32)(H,30,34)/b18-9-/t20-,24+,25-/m0/s1 XQIRFHXAOHCZDS-LKXBDJSQSA-N 372740 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(3-oxopiperazine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 144 Beta-secretase 1 Homo sapiens 1.77 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524069 402359676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739394 CC1CCCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5OS/c1-16-4-3-9-34(15-16)24(35)27-12-23(27)26(2,33-25(31)36-27)19-10-17(5-7-20(19)28)11-21(29)22-8-6-18(13-30)14-32-22/h5-8,10-11,14,16,23H,3-4,9,12,15H2,1-2H3,(H2,31,33)/b21-11-/t16?,23-,26+,27-/m0/s1 XUGPWMKVJPUDBV-JSOZYDPRSA-N 372741 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(3-methylpiperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 145 Beta-secretase 1 Homo sapiens 0.867 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524133 402359677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739397 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5OS/c1-25(22-13-26(22,35-24(30)32-25)23(34)33-9-3-2-4-10-33)18-11-16(5-7-19(18)27)12-20(28)21-8-6-17(14-29)15-31-21/h5-8,11-12,15,22H,2-4,9-10,13H2,1H3,(H2,30,32)/b20-12-/t22-,25+,26-/m0/s1 SWVMBKBHZPWAQL-VPLUUOPTSA-N 372742 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 146 Beta-secretase 1 Homo sapiens 0.863 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524292 402359678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739400 CC1CCN(CC1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5OS/c1-16-7-9-34(10-8-16)24(35)27-13-23(27)26(2,33-25(31)36-27)19-11-17(3-5-20(19)28)12-21(29)22-6-4-18(14-30)15-32-22/h3-6,11-12,15-16,23H,7-10,13H2,1-2H3,(H2,31,33)/b21-12-/t23-,26+,27-/m0/s1 OYNSRFMLAUJYHW-MTTZXFIPSA-N 372743 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(4-methylpiperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 147 Beta-secretase 1 Homo sapiens 0.793 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524407 402359679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739403 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F InChI=1S/C20H17BrF2N4O2S/c1-19(15-7-20(15,17(28)29-2)30-18(24)27-19)11-5-10(3-4-12(11)22)6-13(23)14-8-26-16(21)9-25-14/h3-6,8-9,15H,7H2,1-2H3,(H2,24,27)/b13-6-/t15-,19+,20-/m0/s1 NVFWJNBYTAVRTH-UFEHXVDGSA-N 372744 (1S,5S,6S)-methyl 3-amino-5-(5-((Z)-2-(5-bromopyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 148 Beta-secretase 1 Homo sapiens 375 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556792 402359680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739406 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C20H17ClF2N4O2S/c1-19(15-7-20(15,17(28)29-2)30-18(24)27-19)11-5-10(3-4-12(11)22)6-13(23)14-8-26-16(21)9-25-14/h3-6,8-9,15H,7H2,1-2H3,(H2,24,27)/b13-6-/t15-,19+,20-/m0/s1 QGWRMZGYBUDSPT-UFEHXVDGSA-N 372745 (1S,5S,6S)-methyl 3-amino-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 149 Beta-secretase 1 Homo sapiens 35.2 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558764 402359681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739409 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C24H21F2N5O4S/c1-23(18-9-24(18,21(32)33-2)36-22(27)31-23)14-7-13(3-4-15(14)25)8-16(26)17-10-30-19(11-29-17)35-12-20-28-5-6-34-20/h3-8,10-11,18H,9,12H2,1-2H3,(H2,27,31)/b16-8-/t18-,23+,24-/m0/s1 NGLDTAOEELXCRA-GWSKSGCMSA-N 372746 (1S,5S,6S)-methyl 3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(oxazol-2-ylmethoxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 150 Beta-secretase 1 Homo sapiens 53.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557095 402359682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739412 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H21F2N5O2S/c1-4-7-32-19-12-28-17(11-29-19)16(25)9-13-5-6-15(24)14(8-13)22(2)18-10-23(18,20(31)27-3)33-21(26)30-22/h1,5-6,8-9,11-12,18H,7,10H2,2-3H3,(H2,26,30)(H,27,31)/b16-9-/t18-,22+,23-/m0/s1 IOBHOJOKKYDUHV-JLUYBFTRSA-N 372747 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 151 Beta-secretase 1 Homo sapiens 5.77 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557048 402359683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739415 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(C)=O)cn2)ccc1F InChI=1S/C23H23F2N5O3S/c1-12(31)11-33-19-10-28-17(9-29-19)16(25)7-13-4-5-15(24)14(6-13)22(2)18-8-23(18,20(32)27-3)34-21(26)30-22/h4-7,9-10,18H,8,11H2,1-3H3,(H2,26,30)(H,27,32)/b16-7-/t18-,22+,23-/m0/s1 BOEPWVQVRIQDDJ-NKPLGVBDSA-N 372748 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2-oxopropoxy)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 152 Beta-secretase 1 Homo sapiens 52.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557101 402359684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739418 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C24H23F2N5O2S/c1-5-8-33-20-13-28-18(12-29-20)17(26)10-14-6-7-16(25)15(9-14)23(2)19-11-24(19,21(32)31(3)4)34-22(27)30-23/h1,6-7,9-10,12-13,19H,8,11H2,2-4H3,(H2,27,30)/b17-10-/t19-,23+,24-/m0/s1 KTPFWOVBDFLYFH-FKSQQWJUSA-N 372749 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 153 Beta-secretase 1 Homo sapiens 3.93 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557096 402359685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739421 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C25H24F2N6O3S/c1-24(19-10-25(19,22(34)33(2)3)37-23(28)32-24)15-8-14(4-5-16(15)26)9-17(27)18-11-31-20(12-30-18)36-13-21-29-6-7-35-21/h4-9,11-12,19H,10,13H2,1-3H3,(H2,28,32)/b17-9-/t19-,24+,25-/m0/s1 ULOGGRNPZYESEH-BYMCWXSZSA-N 372750 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(oxazol-2-ylmethoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 154 Beta-secretase 1 Homo sapiens 7.98 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557158 402359686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739424 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C23H22F5N5O2S/c1-21(17-8-22(17,19(34)33(2)3)36-20(29)32-21)13-6-12(4-5-14(13)24)7-15(25)16-9-31-18(10-30-16)35-11-23(26,27)28/h4-7,9-10,17H,8,11H2,1-3H3,(H2,29,32)/b15-7-/t17-,21+,22-/m0/s1 BIPUQNDFGTXMQY-JURDMDRRSA-N 372751 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 155 Beta-secretase 1 Homo sapiens 41.2 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558766 402359687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739427 CC(Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C)c1ncco1 InChI=1S/C26H26F2N6O3S/c1-14(22-30-7-8-36-22)37-21-13-31-19(12-32-21)18(28)10-15-5-6-17(27)16(9-15)25(2)20-11-26(20,23(35)34(3)4)38-24(29)33-25/h5-10,12-14,20H,11H2,1-4H3,(H2,29,33)/b18-10-/t14?,20-,25+,26-/m0/s1 RMQFIBKMLCGHDU-VVJFDWMOSA-N 372752 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(-1-(oxazol-2-yl)ethoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 156 Beta-secretase 1 Homo sapiens 42.4 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556817 402359688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739430 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F InChI=1S/C21H20BrF2N5OS/c1-20(16-8-21(16,18(30)29(2)3)31-19(25)28-20)12-6-11(4-5-13(12)23)7-14(24)15-9-27-17(22)10-26-15/h4-7,9-10,16H,8H2,1-3H3,(H2,25,28)/b14-7-/t16-,20+,21-/m0/s1 WQIAITOTMUYZNS-ZGRBDRHUSA-N 372753 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-bromopyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 157 Beta-secretase 1 Homo sapiens 12.7 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555093 402359689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739433 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#N)cn2)ccc1F InChI=1S/C23H22F2N6O2S/c1-22(18-10-23(18,20(32)31(2)3)34-21(27)30-22)14-8-13(4-5-15(14)24)9-16(25)17-11-29-19(12-28-17)33-7-6-26/h4-5,8-9,11-12,18H,7,10H2,1-3H3,(H2,27,30)/b16-9-/t18-,22+,23-/m0/s1 YRQRZMYRCNYFPN-JLUYBFTRSA-N 372754 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyanomethoxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 158 Beta-secretase 1 Homo sapiens 116 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557159 402359690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739436 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C26H25F2N5OS/c1-25(22-12-26(22,23(34)33(2)3)35-24(29)32-25)18-10-16(7-9-19(18)27)11-20(28)21-14-30-17(13-31-21)8-6-15-4-5-15/h7,9-11,13-15,22H,4-5,12H2,1-3H3,(H2,29,32)/b20-11-/t22-,25+,26-/m0/s1 IILHRPBIZQQPPM-RTQJJNGSSA-N 372755 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethynyl)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 159 Beta-secretase 1 Homo sapiens 0.856 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558768 402359691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739439 Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)C#N InChI=1S/C26H25F2N5O2S/c1-15-9-17(13-29)14-31-22(15)20(28)11-16-3-4-19(27)18(10-16)25(2)21-12-26(21,36-24(30)32-25)23(34)33-5-7-35-8-6-33/h3-4,9-11,14,21H,5-8,12H2,1-2H3,(H2,30,32)/b20-11-/t21-,25+,26-/m0/s1 YMGFWBCLGQJOEY-JMBIYAIKSA-N 372756 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)-5-methylnicotinonitrile::US10246429, Example 160 Beta-secretase 1 Homo sapiens 7.34 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558767 402359692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739442 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C23H21F6N5O2S/c1-21(16-7-22(16,19(35)31-2)37-20(30)34-21)12-5-11(3-4-13(12)24)6-14(25)15-8-33-17(9-32-15)36-10-23(28,29)18(26)27/h3-6,8-9,16,18H,7,10H2,1-2H3,(H2,30,34)(H,31,35)/b14-6-/t16-,21+,22-/m0/s1 KUNFXSYLCHZTCZ-COOOTPKDSA-N 372757 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 161 Beta-secretase 1 Homo sapiens 86.4 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558770 402359693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739445 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C24H22F2N6O3S/c1-23(18-9-24(18,21(33)28-2)36-22(27)32-23)14-7-13(3-4-15(14)25)8-16(26)17-10-31-19(11-30-17)35-12-20-29-5-6-34-20/h3-8,10-11,18H,9,12H2,1-2H3,(H2,27,32)(H,28,33)/b16-8-/t18-,23+,24-/m0/s1 HGNSJVHZUPAHAE-GWSKSGCMSA-N 372759 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(oxazol-2-ylmethoxy)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 162 Beta-secretase 1 Homo sapiens 17.3 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556828 402359695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739448 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F InChI=1S/C20H18BrF2N5OS/c1-19(15-7-20(15,17(29)25-2)30-18(24)28-19)11-5-10(3-4-12(11)22)6-13(23)14-8-27-16(21)9-26-14/h3-6,8-9,15H,7H2,1-2H3,(H2,24,28)(H,25,29)/b13-6-/t15-,19+,20-/m0/s1 LTCQOVSIUPBLAL-UFEHXVDGSA-N 372760 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-bromopyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 163 Beta-secretase 1 Homo sapiens 24.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556829 402359696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739451 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CC)ccc1F InChI=1S/C23H21F2N5OS/c1-4-5-14-11-29-18(12-28-14)17(25)9-13-6-7-16(24)15(8-13)22(2)19-10-23(19,20(31)27-3)32-21(26)30-22/h6-9,11-12,19H,10H2,1-3H3,(H2,26,30)(H,27,31)/b17-9-/t19-,22+,23-/m0/s1 CMYDYGSOMVRCJR-OZNMDXOXSA-N 372761 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-1-yn-1-yl)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 164 Beta-secretase 1 Homo sapiens 12.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558771 402359697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739454 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C25H23F2N5OS/c1-24(21-11-25(21,22(33)29-2)34-23(28)32-24)17-9-15(6-8-18(17)26)10-19(27)20-13-30-16(12-31-20)7-5-14-3-4-14/h6,8-10,12-14,21H,3-4,11H2,1-2H3,(H2,28,32)(H,29,33)/b19-10-/t21-,24+,25-/m0/s1 GQGNWPCJBMVMCO-XCZGQCRVSA-N 372762 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethynyl)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 165 Beta-secretase 1 Homo sapiens 7.07 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556830 402359698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739457 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#C[Si](C)(C)C)ccc1F InChI=1S/C25H27F2N5OSSi/c1-24(21-12-25(21,22(33)29-2)34-23(28)32-24)17-10-15(6-7-18(17)26)11-19(27)20-14-30-16(13-31-20)8-9-35(3,4)5/h6-7,10-11,13-14,21H,12H2,1-5H3,(H2,28,32)(H,29,33)/b19-11-/t21-,24+,25-/m0/s1 DVWZMWFBZXHRSX-MYMUPAQMSA-N 372763 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((trimethylsilyl)ethynyl)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4- azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 166 Beta-secretase 1 Homo sapiens 17.1 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140892426 402359699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739460 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#C)ccc1F InChI=1S/C22H19F2N5OS/c1-4-13-10-28-17(11-27-13)16(24)8-12-5-6-15(23)14(7-12)21(2)18-9-22(18,19(30)26-3)31-20(25)29-21/h1,5-8,10-11,18H,9H2,2-3H3,(H2,25,29)(H,26,30)/b16-8-/t18-,21+,22-/m0/s1 MWDTZDZOCXHQIR-ZKMBLFMTSA-N 372764 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-ethynylpyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 167 Beta-secretase 1 Homo sapiens 9.78 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557164 402359700 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739463 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cc2)C#N)ccc1F InChI=1S/C24H22F2N4OS/c1-23(20-12-24(20,21(31)30(2)3)32-22(28)29-23)17-10-15(6-9-18(17)25)11-19(26)16-7-4-14(13-27)5-8-16/h4-11,20H,12H2,1-3H3,(H2,28,29)/b19-11-/t20-,23+,24-/m0/s1 TVYNFQRIKMNFCQ-NNWQNEGFSA-N 372765 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(4-cyanophenyl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 168 Beta-secretase 1 Homo sapiens 4.96 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557486 402359701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739466 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C22H20F2N6OS/c1-21(18-8-22(18,19(31)30(2)3)32-20(26)29-21)14-6-12(4-5-15(14)23)7-16(24)17-11-27-13(9-25)10-28-17/h4-7,10-11,18H,8H2,1-3H3,(H2,26,29)/b16-7-/t18-,21+,22-/m0/s1 XZUSTFQBDGMJHQ-DRKXBUJASA-N 372766 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 169 Beta-secretase 1 Homo sapiens 1.15 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557218 402359702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739469 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(cn2)C#N)ccc1F InChI=1S/C22H20F2N6OS/c1-21(17-8-22(17,19(31)30(2)3)32-20(26)29-21)14-6-12(4-5-15(14)23)7-16(24)18-27-10-13(9-25)11-28-18/h4-7,10-11,17H,8H2,1-3H3,(H2,26,29)/b16-7-/t17-,21+,22-/m0/s1 GYWRUGZECHJSKQ-BQLJKHBWSA-N 372767 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyrimidin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 170 Beta-secretase 1 Homo sapiens 4.32 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557216 402359703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739472 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(nc2)C#N)ccc1F InChI=1S/C23H21F2N5OS/c1-22(19-10-23(19,20(31)30(2)3)32-21(27)29-22)16-8-13(4-7-17(16)24)9-18(25)14-5-6-15(11-26)28-12-14/h4-9,12,19H,10H2,1-3H3,(H2,27,29)/b18-9-/t19-,22+,23-/m0/s1 FYLGLSCYRURQBA-ZODCYZKFSA-N 372768 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(6-cyanopyridin-3-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 171 Beta-secretase 1 Homo sapiens 102 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558772 402359704 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739475 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cc2F)C#N)ccc1F InChI=1S/C24H21F3N4OS/c1-23(20-11-24(20,21(32)31(2)3)33-22(29)30-23)16-8-13(5-7-17(16)25)9-18(26)15-6-4-14(12-28)10-19(15)27/h4-10,20H,11H2,1-3H3,(H2,29,30)/b18-9-/t20-,23+,24-/m0/s1 DCOGRKMISVHTKD-AWTRGSECSA-N 372769 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(4-cyano-2-fluorophenyl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 172 Beta-secretase 1 Homo sapiens 32.7 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557104 402359705 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739478 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(nc2)C#N)ccc1F InChI=1S/C22H20F2N6OS/c1-21(17-8-22(17,19(31)30(2)3)32-20(26)29-21)14-6-12(4-5-15(14)23)7-16(24)13-10-27-18(9-25)28-11-13/h4-7,10-11,17H,8H2,1-3H3,(H2,26,29)/b16-7-/t17-,21+,22-/m0/s1 ZSFZZPGBWPNYOJ-BQLJKHBWSA-N 372770 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(2-cyanopyrimidin-5-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 173 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557107 402359706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739481 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(nn2)C#N)ccc1F InChI=1S/C22H20F2N6OS/c1-21(18-10-22(18,19(31)30(2)3)32-20(26)27-21)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(11-25)28-29-17/h4-9,18H,10H2,1-3H3,(H2,26,27)/b16-9-/t18-,21+,22-/m0/s1 JNKQNDIJCRUXGC-LLYJTOGPSA-N 372771 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(6-cyanopyridazin-3-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 174 Beta-secretase 1 Homo sapiens 209 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556831 402359707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739484 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF2N4OS/c1-20(17-9-21(17,18(29)26-2)30-19(25)28-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(22)10-27-16/h3-8,10,17H,9H2,1-2H3,(H2,25,28)(H,26,29)/b15-8-/t17-,20+,21-/m0/s1 GQYPSNWOTOYMPJ-NZUJZPRYSA-N 372772 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 175 Beta-secretase 1 Homo sapiens 12.1 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285446 402359708 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739487 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)cnc1F InChI=1S/C20H17ClF2N4O2S/c1-19(15-7-20(15,17(28)29-2)30-18(24)27-19)12-5-10(8-26-16(12)23)6-13(22)14-4-3-11(21)9-25-14/h3-6,8-9,15H,7H2,1-2H3,(H2,24,27)/b13-6-/t15-,19+,20-/m0/s1 UJRFPPBPWKJZEJ-UFEHXVDGSA-N 372773 (1S,5S,6S)-methyl 3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 176 Beta-secretase 1 Homo sapiens 142 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285485 402359709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739490 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)cnc1F InChI=1S/C20H17ClF2N4O2S/c1-19(15-7-20(15,17(28)29-2)30-18(24)27-19)12-5-10(8-26-16(12)23)6-13(22)14-4-3-11(21)9-25-14/h3-6,8-9,15H,7H2,1-2H3,(H2,24,27)/b13-6+/t15-,19+,20-/m0/s1 UJRFPPBPWKJZEJ-WNWFVDBQSA-N 372774 (1S,5S,6S)-methyl 3-amino-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 177 Beta-secretase 1 Homo sapiens 291 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556832 402359710 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739493 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)cnc1F InChI=1S/C21H20ClF2N5OS/c1-20(16-8-21(16,18(30)29(2)3)31-19(25)28-20)13-6-11(9-27-17(13)24)7-14(23)15-5-4-12(22)10-26-15/h4-7,9-10,16H,8H2,1-3H3,(H2,25,28)/b14-7-/t16-,20+,21-/m0/s1 FWGZNBROHVPNGW-ZGRBDRHUSA-N 372775 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 178 Beta-secretase 1 Homo sapiens 22.7 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524087 402359711 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739496 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)cnc1F InChI=1S/C21H20ClF2N5OS/c1-20(16-8-21(16,18(30)29(2)3)31-19(25)28-20)13-6-11(9-27-17(13)24)7-14(23)15-5-4-12(22)10-26-15/h4-7,9-10,16H,8H2,1-3H3,(H2,25,28)/b14-7+/t16-,20+,21-/m0/s1 FWGZNBROHVPNGW-XGPYDDKASA-N 372776 (1S,5S,6S)-3-amino-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 179 Beta-secretase 1 Homo sapiens 112 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557712 402359712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739499 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C22H20F2N6OS/c1-21(17-8-22(17,19(31)30(2)3)32-20(26)29-21)14-6-13(11-28-18(14)24)7-15(23)16-5-4-12(9-25)10-27-16/h4-7,10-11,17H,8H2,1-3H3,(H2,26,29)/b15-7-/t17-,21+,22-/m0/s1 WKEOTYZSPKOUPH-JURDMDRRSA-N 372777 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluoropyridin-3-yl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 180 Beta-secretase 1 Homo sapiens 5.44 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285447 402359713 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739502 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C24H21F3N6OS/c1-23(19-8-24(19,35-22(29)32-23)21(34)33-5-4-15(25)12-33)16-6-14(11-31-20(16)27)7-17(26)18-3-2-13(9-28)10-30-18/h2-3,6-7,10-11,15,19H,4-5,8,12H2,1H3,(H2,29,32)/b17-7-/t15-,19+,23-,24+/m1/s1 PKBZVGSMKHULBV-KCUSIJHYSA-N 372778 6-((Z)-2-(5-((1S,5S,6S)-3-amino-1-((R)-3-fluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 181 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523954 402359714 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739505 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C24H21F3N6OS/c1-23(19-8-24(19,35-22(29)32-23)21(34)33-5-4-15(25)12-33)16-6-14(11-31-20(16)27)7-17(26)18-3-2-13(9-28)10-30-18/h2-3,6-7,10-11,15,19H,4-5,8,12H2,1H3,(H2,29,32)/b17-7-/t15-,19-,23+,24-/m0/s1 PKBZVGSMKHULBV-RDOSCTEVSA-N 372779 6-((Z)-2-(5-((1S,5S,6S)-3-amino-1-((S)-3-fluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 182 Beta-secretase 1 Homo sapiens 2.40 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523979 402359715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739508 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C24H22F2N6O2S/c1-23(19-10-24(19,35-22(28)31-23)21(33)32-4-6-34-7-5-32)16-8-15(13-30-20(16)26)9-17(25)18-3-2-14(11-27)12-29-18/h2-3,8-9,12-13,19H,4-7,10H2,1H3,(H2,28,31)/b17-9-/t19-,23+,24-/m0/s1 SHKIDCBHVZAMLK-ZEHMKQDJSA-N 372780 6-((Z)-2-(5-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 183 Beta-secretase 1 Homo sapiens 16.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524421 402359716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739513 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(Cl)cn1 InChI=1S/C22H21ClF2N4OS/c1-21(18-10-22(18,19(30)29(2)3)31-20(26)28-21)15-8-12(4-7-16(15)24)17(25)9-14-6-5-13(23)11-27-14/h4-9,11,18H,10H2,1-3H3,(H2,26,28)/b17-9-/t18-,21+,22-/m0/s1 RWLBYZPNYFDYTA-WBRHMWNYSA-N 372782 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-1-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 185 Beta-secretase 1 Homo sapiens 132 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557517 402359718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739516 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(cc1)C#N InChI=1S/C24H22F2N4OS/c1-23(20-12-24(20,21(31)30(2)3)32-22(28)29-23)17-11-16(8-9-18(17)25)19(26)10-14-4-6-15(13-27)7-5-14/h4-11,20H,12H2,1-3H3,(H2,28,29)/b19-10-/t20-,23+,24-/m0/s1 HZZFSMGJPIYQAR-KHTKAAKSSA-N 372783 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(4-cyanophenyl)-1-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 186::US10246429, Example 221 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557184 402359719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739519 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C24H22F2N6O2S/c1-23(20-10-24(20,35-22(28)31-23)21(33)32-4-6-34-7-5-32)16-8-14(2-3-17(16)25)9-18(26)19-13-29-15(11-27)12-30-19/h2-3,8-9,12-13,20H,4-7,10H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1 KSLJUUCKMWVFIH-AWTRGSECSA-N 372784 5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 200 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524400 402359720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739522 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C25H24F2N6OS/c1-24(21-11-25(21,35-23(29)32-24)22(34)33-7-3-2-4-8-33)17-9-15(5-6-18(17)26)10-19(27)20-14-30-16(12-28)13-31-20/h5-6,9-10,13-14,21H,2-4,7-8,11H2,1H3,(H2,29,32)/b19-10-/t21-,24+,25-/m0/s1 MOQWVFFJPGWFAC-XCZGQCRVSA-N 372785 5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 201 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524296 402359721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739525 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C24H21F3N6OS/c1-23(20-8-24(20,35-22(29)32-23)21(34)33-5-4-14(25)12-33)16-6-13(2-3-17(16)26)7-18(27)19-11-30-15(9-28)10-31-19/h2-3,6-7,10-11,14,20H,4-5,8,12H2,1H3,(H2,29,32)/b18-7-/t14-,20-,23+,24-/m0/s1 KNQASGMYRYSFDQ-XASYZPPQSA-N 372786 5-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-fluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 202 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524044 402359722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739528 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C24H21F3N6OS/c1-23(20-8-24(20,35-22(29)32-23)21(34)33-5-4-14(25)12-33)16-6-13(2-3-17(16)26)7-18(27)19-11-30-15(9-28)10-31-19/h2-3,6-7,10-11,14,20H,4-5,8,12H2,1H3,(H2,29,32)/b18-7-/t14-,20+,23-,24+/m1/s1 KNQASGMYRYSFDQ-QHKJJCSPSA-N 372787 5-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-fluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 203 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524190 402359723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739531 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C24H22F2N6OS/c1-23(20-10-24(20,34-22(28)31-23)21(33)32-6-2-3-7-32)16-8-14(4-5-17(16)25)9-18(26)19-13-29-15(11-27)12-30-19/h4-5,8-9,12-13,20H,2-3,6-7,10H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1 FYUJBUIYANSXFK-AWTRGSECSA-N 372788 5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 204 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524428 402359724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739534 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#C)ccc1F InChI=1S/C23H21F2N5OS/c1-5-14-11-28-18(12-27-14)17(25)9-13-6-7-16(24)15(8-13)22(2)19-10-23(19,20(31)30(3)4)32-21(26)29-22/h1,6-9,11-12,19H,10H2,2-4H3,(H2,26,29)/b17-9-/t19-,22+,23-/m0/s1 DEPPEMUWPWWMIN-OZNMDXOXSA-N 372789 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-ethynylpyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 205 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557541 402359725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739537 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)I)ccc1F InChI=1S/C17H18F2IN3OS/c1-16(10-6-9(7-13(19)20)4-5-11(10)18)12-8-17(12,14(24)23(2)3)25-15(21)22-16/h4-7,12H,8H2,1-3H3,(H2,21,22)/b13-7+/t12-,16+,17-/m0/s1 VQGXNUSUDVEUAJ-GRWZZNAFSA-N 372790 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((E)-2-fluoro-2-iodovinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 206 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557543 402359726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739540 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)C#Cc2ccccc2)ccc1F InChI=1S/C25H23F2N3OS/c1-24(21-15-25(21,22(31)30(2)3)32-23(28)29-24)19-14-17(10-12-20(19)27)13-18(26)11-9-16-7-5-4-6-8-16/h4-8,10,12-14,21H,15H2,1-3H3,(H2,28,29)/b18-13-/t21-,24+,25-/m0/s1 UMPCXDSOAGHNKA-OSDHJJHOSA-N 372791 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-4-phenylbut-1-en-3-yn-1-yl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 207 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524756 402359727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739543 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C/F)ccc1F InChI=1S/C17H19F2N3OS/c1-16(11-8-10(6-7-18)4-5-12(11)19)13-9-17(13,14(23)22(2)3)24-15(20)21-16/h4-8,13H,9H2,1-3H3,(H2,20,21)/b7-6-/t13-,16+,17-/m0/s1 DHLXPVPRSWFPDM-YQIRRWJHSA-N 372792 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluorovinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 208 Beta-secretase 1 Homo sapiens 309 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558776 402359728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739546 CC#C\C(F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C InChI=1S/C20H21F2N3OS/c1-5-6-13(21)9-12-7-8-15(22)14(10-12)19(2)16-11-20(16,17(26)25(3)4)27-18(23)24-19/h7-10,16H,11H2,1-4H3,(H2,23,24)/b13-9-/t16-,19+,20-/m0/s1 OUAKIYBBTXXOGH-ASIXZSLSSA-N 372793 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoropent-1-en-3-yn-1-yl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 209 Beta-secretase 1 Homo sapiens 94.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285412 402359729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739549 COCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C InChI=1S/C24H27F2N5O3S/c1-23(19-11-24(19,21(32)31(2)3)35-22(27)30-23)15-9-14(5-6-16(15)25)10-17(26)18-12-29-20(13-28-18)34-8-7-33-4/h5-6,9-10,12-13,19H,7-8,11H2,1-4H3,(H2,27,30)/b17-10-/t19-,23+,24-/m0/s1 OMFMXSKYXSWDPM-FKSQQWJUSA-N 372794 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2-methoxyethoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 210 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557178 402359730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739552 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C25H27F2N5O2S/c1-24(20-10-25(20,22(33)32(2)3)35-23(28)31-24)16-8-15(6-7-17(16)26)9-18(27)19-11-30-21(12-29-19)34-13-14-4-5-14/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H2,28,31)/b18-9-/t20-,24+,25-/m0/s1 GCMPFMSBMAWRTM-LKXBDJSQSA-N 372795 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylmethoxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 211 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557715 402359731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739555 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F InChI=1S/C25H27F2N5O3S/c1-24(20-8-25(20,22(33)32(2)3)36-23(28)31-24)16-6-14(4-5-17(16)26)7-18(27)19-9-30-21(10-29-19)35-13-15-11-34-12-15/h4-7,9-10,15,20H,8,11-13H2,1-3H3,(H2,28,31)/b18-7-/t20-,24+,25-/m0/s1 BLLHHCMXCSOLGG-WXGYDDDCSA-N 372796 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(oxetan-3-ylmethoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 212 Beta-secretase 1 Homo sapiens 76.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557114 402359732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739558 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C23H23F4N5O2S/c1-22(17-8-23(17,20(33)32(2)3)35-21(28)31-22)13-6-12(4-5-14(13)24)7-15(25)16-9-30-19(10-29-16)34-11-18(26)27/h4-7,9-10,17-18H,8,11H2,1-3H3,(H2,28,31)/b15-7-/t17-,22+,23-/m0/s1 CQWTVZFUHYUMAN-QDQBMDPYSA-N 372797 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(2,2-difluoroethoxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 213 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557560 402359733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739561 COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C InChI=1S/C25H29F2N5O3S/c1-14(13-34-5)35-21-12-29-19(11-30-21)18(27)9-15-6-7-17(26)16(8-15)24(2)20-10-25(20,22(33)32(3)4)36-23(28)31-24/h6-9,11-12,14,20H,10,13H2,1-5H3,(H2,28,31)/b18-9-/t14-,20-,24+,25-/m0/s1 LXYGGJLBNREGCZ-QSRUKNEYSA-N 372798 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(((S)-1-methoxypropan-2-yl)oxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 214 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556838 402359734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739564 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC3(F)F)cn2)ccc1F InChI=1S/C25H25F4N5O2S/c1-23(19-9-24(19,21(35)34(2)3)37-22(30)33-23)15-6-13(4-5-16(15)26)7-17(27)18-10-32-20(11-31-18)36-12-14-8-25(14,28)29/h4-7,10-11,14,19H,8-9,12H2,1-3H3,(H2,30,33)/b17-7-/t14?,19-,23+,24-/m0/s1 DQBBZPXWGYZNAK-PKEWXJKTSA-N 372799 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-((2,2-difluorocyclopropyl)methoxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 215 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557586 402359735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739567 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)ccc1F InChI=1S/C25H25F2N7O3S/c1-13-32-33-21(37-13)12-36-20-11-29-18(10-30-20)17(27)8-14-5-6-16(26)15(7-14)24(2)19-9-25(19,22(35)34(3)4)38-23(28)31-24/h5-8,10-11,19H,9,12H2,1-4H3,(H2,28,31)/b17-8-/t19-,24+,25-/m0/s1 YZWWSXPOUJZECH-UMCZMAMBSA-N 372800 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((5-methyl-1,3,4-oxadiazol-2-yl)methoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 216 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285482 402359736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739888 C[C@H]1CN(C[C@H](C)O1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-15-13-34(14-16(2)36-15)24(35)27-10-23(27)26(3,33-25(31)37-27)19-8-17(4-6-20(19)28)9-21(29)22-7-5-18(11-30)12-32-22/h4-9,12,15-16,23H,10,13-14H2,1-3H3,(H2,31,33)/b21-9-/t15-,16-,23-,26+,27-/m0/s1 PAQFQFYQFMQIAU-CJFKRUMWSA-N 372918 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2S,6S)-2,6-dimethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 323 Beta-secretase 1 Homo sapiens 3.10 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557635 402359851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739891 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H23F4N5OS/c1-24(17-9-15(3-5-18(17)27)10-19(28)20-6-4-16(12-31)13-33-20)21-11-26(21,37-23(32)34-24)22(36)35-8-2-7-25(29,30)14-35/h3-6,9-10,13,21H,2,7-8,11,14H2,1H3,(H2,32,34)/b19-10-/t21-,24+,26-/m0/s1 PERQGBHIWDTVOX-RJLYDSCCSA-N 372919 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3,3-difluoropiperidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 324 Beta-secretase 1 Homo sapiens 1.10 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524028 402359852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739894 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H23F4N5OS/c1-24(17-10-15(2-4-18(17)27)11-19(28)20-5-3-16(13-31)14-33-20)21-12-26(21,37-23(32)34-24)22(36)35-8-6-25(29,30)7-9-35/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,32,34)/b19-11-/t21-,24+,26-/m0/s1 OOLWSXXSHVERMM-HAJRAODLSA-N 372920 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(4,4-difluoropiperidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 325 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524436 402359853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739897 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H24F3N5OS/c1-25(22-12-26(22,36-24(31)33-25)23(35)34-8-6-17(27)7-9-34)18-10-15(2-4-19(18)28)11-20(29)21-5-3-16(13-30)14-32-21/h2-5,10-11,14,17,22H,6-9,12H2,1H3,(H2,31,33)/b20-11-/t22-,25+,26-/m0/s1 MXXHXJBBOINVTH-RTQJJNGSSA-N 372921 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(4-fluoropiperidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 326 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524420 402359854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739900 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC2(CCO2)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H25F2N5O2S/c1-25(18-10-16(2-4-19(18)28)11-20(29)21-5-3-17(13-30)14-32-21)22-12-27(22,37-24(31)33-25)23(35)34-8-6-26(15-34)7-9-36-26/h2-5,10-11,14,22H,6-9,12,15H2,1H3,(H2,31,33)/b20-11-/t22-,25+,26?,27-/m0/s1 VGLJZZSQBIDHRM-KRQHHWEJSA-N 372922 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(1-oxa-6-azaspiro[3.4]octane-6-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 327 Beta-secretase 1 Homo sapiens 0.800 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524356 402359855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739903 COC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O3S/c1-26(19-9-16(3-5-20(19)28)10-21(29)22-6-4-17(12-30)13-32-22)23-11-27(23,38-25(31)33-26)24(35)34-7-8-37-15-18(34)14-36-2/h3-6,9-10,13,18,23H,7-8,11,14-15H2,1-2H3,(H2,31,33)/b21-10-/t18-,23-,26+,27-/m0/s1 SCKAYIQTMXSRCI-UPDZBHERSA-N 372923 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-(methoxymethyl)morpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 328 Beta-secretase 1 Homo sapiens 2.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557761 402359856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739906 C[C@H]1CN([C@@H](C)CO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-15-14-36-16(2)13-34(15)24(35)27-10-23(27)26(3,33-25(31)37-27)19-8-17(4-6-20(19)28)9-21(29)22-7-5-18(11-30)12-32-22/h4-9,12,15-16,23H,10,13-14H2,1-3H3,(H2,31,33)/b21-9-/t15-,16-,23-,26+,27-/m0/s1 FDAMZZMLRCCRII-CJFKRUMWSA-N 372924 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2S,5S)-2,5-dimethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 329 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557638 402359857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739909 C[C@@H]1CN([C@H](C)CO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-15-14-36-16(2)13-34(15)24(35)27-10-23(27)26(3,33-25(31)37-27)19-8-17(4-6-20(19)28)9-21(29)22-7-5-18(11-30)12-32-22/h4-9,12,15-16,23H,10,13-14H2,1-3H3,(H2,31,33)/b21-9-/t15-,16-,23+,26-,27+/m1/s1 FDAMZZMLRCCRII-LFDWGKEUSA-N 372925 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2R,5R)-2,5-dimethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 330 Beta-secretase 1 Homo sapiens 8.60 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557201 402359858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739912 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC11CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C28H27F2N5O2S/c1-26(19-11-17(3-5-20(19)29)12-21(30)22-6-4-18(14-31)15-33-22)23-13-28(23,38-25(32)34-26)24(36)35-9-10-37-16-27(35)7-2-8-27/h3-6,11-12,15,23H,2,7-10,13,16H2,1H3,(H2,32,34)/b21-12-/t23-,26+,28-/m0/s1 CUZPHKRHXXBSJB-VBQVKNGPSA-N 372926 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 331 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557246 402359859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739915 CC1(C)COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-25(2)15-36-9-8-34(25)23(35)27-12-22(27)26(3,33-24(31)37-27)18-10-16(4-6-19(18)28)11-20(29)21-7-5-17(13-30)14-32-21/h4-7,10-11,14,22H,8-9,12,15H2,1-3H3,(H2,31,33)/b20-11-/t22-,26+,27-/m0/s1 WBFTZCDXILITBE-MRRORNCHSA-N 372927 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3,3-dimethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 332 Beta-secretase 1 Homo sapiens 2.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557207 402359860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739918 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5O2S/c1-24(21-10-25(21,35-23(29)31-24)22(34)32-7-6-16(33)13-32)17-8-14(2-4-18(17)26)9-19(27)20-5-3-15(11-28)12-30-20/h2-5,8-9,12,16,21,33H,6-7,10,13H2,1H3,(H2,29,31)/b19-9-/t16-,21+,24-,25+/m1/s1 IBWXJAVCODUFQB-GVZVELPGSA-N 372928 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-hydroxypyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 333 Beta-secretase 1 Homo sapiens 0.800 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557774 402359861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739921 CC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-3-18-15-36-9-8-34(18)24(35)27-12-23(27)26(2,33-25(31)37-27)19-10-16(4-6-20(19)28)11-21(29)22-7-5-17(13-30)14-32-22/h4-7,10-11,14,18,23H,3,8-9,12,15H2,1-2H3,(H2,31,33)/b21-11-/t18-,23-,26+,27-/m0/s1 JOCUJUMMDGCOKI-FPGHDCOESA-N 372929 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-ethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 334::US10246429, Example 335 Beta-secretase 1 Homo sapiens 6.40 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557245 402359862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739924 CC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C27H27F2N5O2S/c1-3-18-15-36-9-8-34(18)24(35)27-12-23(27)26(2,33-25(31)37-27)19-10-16(4-6-20(19)28)11-21(29)22-7-5-17(13-30)14-32-22/h4-7,10-11,14,18,23H,3,8-9,12,15H2,1-2H3,(H2,31,33)/b21-11-/t18-,23-,26+,27-/m0/s1 JOCUJUMMDGCOKI-FPGHDCOESA-N 372929 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-ethylmorpholine-4-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 334::US10246429, Example 335 Beta-secretase 1 Homo sapiens 2.80 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557245 402359862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739927 C[C@H]1[C@H](O)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5O2S/c1-14-21(34)7-8-33(14)23(35)26-11-22(26)25(2,32-24(30)36-26)17-9-15(3-5-18(17)27)10-19(28)20-6-4-16(12-29)13-31-20/h3-6,9-10,13-14,21-22,34H,7-8,11H2,1-2H3,(H2,30,32)/b19-10-/t14-,21+,22-,25+,26-/m0/s1 DKJQDSFQSMLEKX-VRGNFYOHSA-N 372931 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2S,3R)-3-hydroxy-2-methylpyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 336 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126554894 402359863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739930 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C31H27F2N5OS/c1-30(22-14-19(9-11-23(22)32)15-24(33)25-12-10-20(17-34)18-36-25)27-16-31(27,40-29(35)37-30)28(39)38-13-5-8-26(38)21-6-3-2-4-7-21/h2-4,6-7,9-12,14-15,18,26-27H,5,8,13,16H2,1H3,(H2,35,37)/b24-15-/t26?,27-,30+,31-/m0/s1 XBDAZKPOFSVCMB-MUSFUJQMSA-N 372932 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(2-phenylpyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 337 Beta-secretase 1 Homo sapiens 4.40 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557203 402359864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739933 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C24H23BrF2N4O2S/c1-23(20-12-24(20,34-22(28)30-23)21(32)31-6-8-33-9-7-31)16-10-14(2-4-17(16)26)11-18(27)19-5-3-15(25)13-29-19/h2-5,10-11,13,20H,6-9,12H2,1H3,(H2,28,30)/b18-11-/t20-,23+,24-/m0/s1 OBVOAGZBBSFJLL-JXOCDECTSA-N 372933 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 338 Beta-secretase 1 Homo sapiens 1.10 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524419 402359865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739936 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccccn2)ccc1F InChI=1S/C24H24F2N4O2S/c1-23(16-12-15(5-6-17(16)25)13-18(26)19-4-2-3-7-28-19)20-14-24(20,33-22(27)29-23)21(31)30-8-10-32-11-9-30/h2-7,12-13,20H,8-11,14H2,1H3,(H2,27,29)/b18-13-/t20-,23+,24-/m0/s1 KYBPFSKXJNYBMX-HBQSFAJUSA-N 372934 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(pyridin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 339 Beta-secretase 1 Homo sapiens 220 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555292 402359866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739939 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C2COC2)ccc1F InChI=1S/C27H28F2N4O3S/c1-26(23-12-27(23,37-25(30)32-26)24(34)33-6-8-35-9-7-33)19-10-16(2-4-20(19)28)11-21(29)22-5-3-17(13-31-22)18-14-36-15-18/h2-5,10-11,13,18,23H,6-9,12,14-15H2,1H3,(H2,30,32)/b21-11-/t23-,26+,27-/m0/s1 VDCFTGCAQPOQIL-SNZBUMTISA-N 372935 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(oxetan-3-yl)pyridin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 340 Beta-secretase 1 Homo sapiens 545 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555291 402359867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739942 COC(CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)OC InChI=1S/C25H25F2N5O3S/c1-24(20-10-25(20,36-23(29)32-24)22(33)31-13-21(34-2)35-3)16-8-14(4-6-17(16)26)9-18(27)19-7-5-15(11-28)12-30-19/h4-9,12,20-21H,10,13H2,1-3H3,(H2,29,32)(H,31,33)/b18-9-/t20-,24+,25-/m0/s1 OPXWNGUVFVQSQT-LKXBDJSQSA-N 372936 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N-(2,2-dimethoxyethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 341 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556909 402359868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739945 CC1COC(=N1)[C@]12C[C@H]1[C@](C)(N=C(NC(=O)OC(C)(C)C)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C29H29F2N5O3S/c1-16-15-38-24(34-16)29-12-23(29)28(5,36-25(40-29)35-26(37)39-27(2,3)4)19-10-17(6-8-20(19)30)11-21(31)22-9-7-18(13-32)14-33-22/h6-11,14,16,23H,12,15H2,1-5H3,(H,35,36,37)/b21-11-/t16?,23-,28+,29-/m0/s1 IVGMNGMRLRZYRJ-NXTSBJMESA-N 372937 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(4-methyl-4,5-dihydrooxazol-2-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 342 Beta-secretase 1 Homo sapiens 122 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372937&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557614 402359869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739948 C[C@@H]1CN=C(O1)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H21F2N5OS/c1-13-11-30-21(32-13)24-9-20(24)23(2,31-22(28)33-24)16-7-14(3-5-17(16)25)8-18(26)19-6-4-15(10-27)12-29-19/h3-8,12-13,20H,9,11H2,1-2H3,(H2,28,31)/b18-8-/t13-,20+,23-,24+/m1/s1 AZSNIEUGFZDGJF-COSKVJGZSA-N 372938 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-((R)-5-methyl-4,5-dihydrooxazol-2-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 343 Beta-secretase 1 Homo sapiens 82.6 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557772 402359870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739951 Cc1cnc(o1)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H19F2N5OS/c1-13-11-30-21(32-13)24-9-20(24)23(2,31-22(28)33-24)16-7-14(3-5-17(16)25)8-18(26)19-6-4-15(10-27)12-29-19/h3-8,11-12,20H,9H2,1-2H3,(H2,28,31)/b18-8-/t20-,23+,24-/m0/s1 OHAWVJXKTIRSLX-XQYXPFIPSA-N 372939 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(5-methyloxazol-2-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 344 Beta-secretase 1 Homo sapiens 3.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558786 402359871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739954 Cc1cnc(o1)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C25H21F2N5O2S/c1-4-7-33-21-13-29-19(12-30-21)18(27)9-15-5-6-17(26)16(8-15)24(3)20-10-25(20,35-23(28)32-24)22-31-11-14(2)34-22/h1,5-6,8-9,11-13,20H,7,10H2,2-3H3,(H2,28,32)/b18-9-/t20-,24+,25-/m0/s1 ZXWFRIXSIVPVAX-LKXBDJSQSA-N 372940 (1S,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-1-(5-methyloxazol-2-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 345 Beta-secretase 1 Homo sapiens 6.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557757 402359872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739957 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)N2CCOC2=O)ccc1F InChI=1S/C26H26F2N6O4S/c1-25(20-12-26(20,39-23(29)32-25)22(35)33-4-7-37-8-5-33)16-10-15(2-3-17(16)27)11-18(28)19-13-31-21(14-30-19)34-6-9-38-24(34)36/h2-3,10-11,13-14,20H,4-9,12H2,1H3,(H2,29,32)/b18-11-/t20-,25+,26-/m0/s1 XAUDAOHQPVNTFC-JXGREVLNSA-N 372941 3-(5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazin-2-yl)oxazolidin-2-one::US10246429, Example 346 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372941&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285426 402359873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739960 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(\F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11+/t21-,24+,25-/m0/s1 VZHFJCNPAIRJSA-VBJXDNJYSA-N 372942 6-((E)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 347 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285381 402359874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739963 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#C)ccc1F InChI=1S/C26H24F2N4O2S/c1-3-16-5-7-21(30-15-16)20(28)13-17-4-6-19(27)18(12-17)25(2)22-14-26(22,35-24(29)31-25)23(33)32-8-10-34-11-9-32/h1,4-7,12-13,15,22H,8-11,14H2,2H3,(H2,29,31)/b20-13-/t22-,25+,26-/m0/s1 YMLLRGGALBYXNZ-YOFOPLKZSA-N 372943 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-ethynylpyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 348 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523875 402359875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739966 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#C[Si](C)(C)C)ccc1F InChI=1S/C28H31F2N5O2SSi/c1-27(24-15-28(24,38-26(31)34-27)25(36)35-8-10-37-11-9-35)20-13-18(5-6-21(20)29)14-22(30)23-17-32-19(16-33-23)7-12-39(2,3)4/h5-6,13-14,16-17,24H,8-11,15H2,1-4H3,(H2,31,34)/b22-14-/t24-,27+,28-/m0/s1 LTVVZLLWAAKSCF-KCFGBKGMSA-N 372944 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((trimethylsilyl)ethynyl)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 349 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140892454 402359876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739969 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#C)ccc1F InChI=1S/C25H23F2N5O2S/c1-3-16-13-30-20(14-29-16)19(27)11-15-4-5-18(26)17(10-15)24(2)21-12-25(21,35-23(28)31-24)22(33)32-6-8-34-9-7-32/h1,4-5,10-11,13-14,21H,6-9,12H2,2H3,(H2,28,31)/b19-11-/t21-,24+,25-/m0/s1 XMJNYUHJPBOYJK-MYMUPAQMSA-N 372945 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-ethynylpyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 350 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524016 402359877 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739972 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)N2CCC2)ccc1F InChI=1S/C26H28F2N6O2S/c1-25(21-13-26(21,37-24(29)32-25)23(35)34-7-9-36-10-8-34)17-11-16(3-4-18(17)27)12-19(28)20-14-31-22(15-30-20)33-5-2-6-33/h3-4,11-12,14-15,21H,2,5-10,13H2,1H3,(H2,29,32)/b19-12-/t21-,25+,26-/m0/s1 VXIVEWZJXLWYDM-QBIJIEJISA-N 372946 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(azetidin-1-yl)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 351 Beta-secretase 1 Homo sapiens 306 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524201 402359878 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739975 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C20H18ClF2N5OS/c1-19(15-7-20(15,17(29)25-2)30-18(24)28-19)11-5-10(3-4-12(11)22)6-13(23)14-8-27-16(21)9-26-14/h3-6,8-9,15H,7H2,1-2H3,(H2,24,28)(H,25,29)/b13-6-/t15-,19+,20-/m0/s1 MOPFMIRYALKMHX-UFEHXVDGSA-N 372947 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 352 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557650 402359879 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739978 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#C[Si](C)(C)C)ccc1F InChI=1S/C29H32F2N4O2SSi/c1-28(25-17-29(25,38-27(32)34-28)26(36)35-10-12-37-13-11-35)21-15-20(5-7-22(21)30)16-23(31)24-8-6-19(18-33-24)9-14-39(2,3)4/h5-8,15-16,18,25H,10-13,17H2,1-4H3,(H2,32,34)/b23-16-/t25-,28+,29-/m0/s1 PSFDQHPCBBDQRC-LQEROJACSA-N 372948 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((trimethylsilyl)ethynyl)pyridin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 354 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140892517 402359880 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739981 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C28H27F2N5O2S/c1-27(24-14-28(24,38-26(31)34-27)25(36)35-8-10-37-11-9-35)20-12-18(5-7-21(20)29)13-22(30)23-16-32-19(15-33-23)6-4-17-2-3-17/h5,7,12-13,15-17,24H,2-3,8-11,14H2,1H3,(H2,31,34)/b22-13-/t24-,27+,28-/m0/s1 QPHDKCXJJHMQBS-ABWVXTMBSA-N 372949 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethynyl)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 353 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557257 402359881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739984 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C21H19BrF2N4OS/c1-20(17-9-21(17,18(29)26-2)30-19(25)28-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(22)10-27-16/h3-8,10,17H,9H2,1-2H3,(H2,25,28)(H,26,29)/b15-8-/t17-,20+,21-/m0/s1 ARWXOUCKDGGJPN-NZUJZPRYSA-N 372950 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 355 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558813 402359882 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739987 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Br)cn2)ccc1F InChI=1S/C21H19BrF2N4OS/c1-20(17-9-21(17,18(29)26-2)30-19(25)28-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(22)10-27-16/h3-8,10,17H,9H2,1-2H3,(H2,25,28)(H,26,29)/b15-8+/t17-,20+,21-/m0/s1 ARWXOUCKDGGJPN-RWKOOILESA-N 372951 (1S,5S,6S)-3-amino-5-(5-((E)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 356 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285391 402359883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739990 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C29H28F2N4O2S/c1-28(25-16-29(25,38-27(32)34-28)26(36)35-10-12-37-13-11-35)21-14-20(6-8-22(21)30)15-23(31)24-9-7-19(17-33-24)5-4-18-2-3-18/h6-9,14-15,17-18,25H,2-3,10-13,16H2,1H3,(H2,32,34)/b23-15-/t25-,28+,29-/m0/s1 JIIYCKTXUFSTGT-LQJKTITMSA-N 372952 ((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethynyl)pyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)(morpholino)methanone::US10246429, Example 357 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557219 402359884 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739993 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F InChI=1S/C26H24F2N4OS/c1-25(22-13-26(22,23(33)30-2)34-24(29)32-25)18-11-17(7-9-19(18)27)12-20(28)21-10-8-16(14-31-21)6-5-15-3-4-15/h7-12,14-15,22H,3-4,13H2,1-2H3,(H2,29,32)(H,30,33)/b20-12-/t22-,25+,26-/m0/s1 SAMIPRMEGBQPDH-VPLUUOPTSA-N 372953 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethynyl)pyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 358 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285443 402359885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739996 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC(C)(C)C)ccc1F InChI=1S/C27H28F2N4OS/c1-25(2,3)11-10-16-7-9-21(32-15-16)20(29)13-17-6-8-19(28)18(12-17)26(4)22-14-27(22,23(34)31-5)35-24(30)33-26/h6-9,12-13,15,22H,14H2,1-5H3,(H2,30,33)(H,31,34)/b20-13-/t22-,26+,27-/m0/s1 QTBFVIGGAWNUPI-FYHGBWIOSA-N 372954 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(3,3-dimethylbut-1-yn-1-yl)pyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 359 Beta-secretase 1 Homo sapiens 233 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524648 402359886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739999 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2(C)COC2)ccc1F InChI=1S/C27H26F2N4O2S/c1-25(14-35-15-25)9-8-16-5-7-21(32-13-16)20(29)11-17-4-6-19(28)18(10-17)26(2)22-12-27(22,23(34)31-3)36-24(30)33-26/h4-7,10-11,13,22H,12,14-15H2,1-3H3,(H2,30,33)(H,31,34)/b20-11-/t22-,26+,27-/m0/s1 XJFWCACPWJOVNV-MRRORNCHSA-N 372955 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((3-methyloxetan-3-yl)ethynyl)pyridin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 360 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285488 402359887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 740002 CCCC#Cc1ccc(nc1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)NC InChI=1S/C26H26F2N4OS/c1-4-5-6-7-16-9-11-21(31-15-16)20(28)13-17-8-10-19(27)18(12-17)25(2)22-14-26(22,23(33)30-3)34-24(29)32-25/h8-13,15,22H,4-5,14H2,1-3H3,(H2,29,32)(H,30,33)/b20-13-/t22-,25+,26-/m0/s1 HLRCNUQGDVKCKX-YOFOPLKZSA-N 372956 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(pent-1-yn-1-yl)pyridin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 361 Beta-secretase 1 Homo sapiens 58.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372956&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285390 402359888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 740005 CNC(=O)[C@@]12C[C@@H]1[C@@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(cn2)C#CCO)ccc1F InChI=1S/C23H21F2N5O2S/c1-22(18-10-23(18,20(32)27-2)33-21(26)30-22)15-8-13(5-6-16(15)24)9-17(25)19-28-11-14(12-29-19)4-3-7-31/h5-6,8-9,11-12,18,31H,7,10H2,1-2H3,(H2,26,30)(H,27,32)/b17-9-/t18-,22+,23-/m1/s1 RYLDWCICPMVKKK-MQZOVGEHSA-N 372957 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(3-hydroxyprop-1-yn-1-yl)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 362 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145713211 402359889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 740008 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CCF)ccc1F InChI=1S/C23H20F3N5OS/c1-22(19-10-23(19,20(32)28-2)33-21(27)31-22)15-8-13(5-6-16(15)25)9-17(26)18-12-29-14(11-30-18)4-3-7-24/h5-6,8-9,11-12,19H,7,10H2,1-2H3,(H2,27,31)(H,28,32)/b17-9-/t19-,22+,23-/m0/s1 ZBASATBLVGHIOQ-OZNMDXOXSA-N 372958 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(3-fluoroprop-1-yn-1-yl)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 363 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285433 402359890 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733155 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O InChI=1S/C19H20ClN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1 HJYXEYFGGRHBEN-VQIMIIECSA-N 370621 US10238743, Example 1 Beta-secretase 1 Homo sapiens 72.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370621&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264427 402357603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733157 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O InChI=1S/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19-/m1/s1 NQDVPEIIZBFNNR-VQIMIIECSA-N 370622 US10238743, Example 2 Beta-secretase 1 Homo sapiens 508 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370622&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264117 402357604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733159 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4nc(C)oc4C)cc23)S1(=O)=O InChI=1S/C19H23N5O5S/c1-10-16(21-11(2)29-10)17(25)22-12-5-6-14-13(9-12)19(3)15(7-8-28-14)30(26,27)24(4)18(20)23-19/h5-6,9,15H,7-8H2,1-4H3,(H2,20,23)(H,22,25)/t15-,19-/m1/s1 QYUMRXCZKZOLNX-DNVCBOLYSA-N 370623 US10238743, Example 3 Beta-secretase 1 Homo sapiens 265 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370623&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264053 402357605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733161 COCC(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 InChI=1S/C16H22N4O5S/c1-16-11-8-10(18-14(21)9-24-3)4-5-12(11)25-7-6-13(16)26(22,23)20(2)15(17)19-16/h4-5,8,13H,6-7,9H2,1-3H3,(H2,17,19)(H,18,21)/t13-,16-/m1/s1 RNPGXUVFWIIHMF-CZUORRHYSA-N 370626 US10238743, Example 4 Beta-secretase 1 Homo sapiens 1360 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370626&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264052 402357607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733163 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1 WHPBHJQRLDCBOO-YLJYHZDGSA-N 370627 US10238743, Example 5 Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370627&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264059 402357608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733165 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)S1(=O)=O InChI=1S/C22H23N5O5S/c1-4-10-31-15-6-7-17(24-13-15)20(28)25-14-5-8-18-16(12-14)22(2)19(9-11-32-18)33(29,30)27(3)21(23)26-22/h1,5-8,12-13,19H,9-11H2,2-3H3,(H2,23,26)(H,25,28)/t19-,22-/m1/s1 SLBFSZHXENDKID-DENIHFKCSA-N 370628 US10238743, Example 6 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370628&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264060 402357609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733167 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O InChI=1S/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1 KKURNFJVRFPQSR-VQIMIIECSA-N 370630 US10238743, Example 7 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264094 402357610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733169 CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O InChI=1S/C20H22FN5O4S/c1-11-8-12(21)10-23-17(11)18(27)24-13-4-5-15-14(9-13)20(2)16(6-7-30-15)31(28,29)26(3)19(22)25-20/h4-5,8-10,16H,6-7H2,1-3H3,(H2,22,25)(H,24,27)/t16-,20-/m1/s1 IUMSXOBNIPLCAF-OXQOHEQNSA-N 370632 US10238743, Example 8 Beta-secretase 1 Homo sapiens 133 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264095 402357612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733171 COc1cnc(cn1)C(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 InChI=1S/C19H22N6O5S/c1-19-12-8-11(23-17(26)13-9-22-16(29-3)10-21-13)4-5-14(12)30-7-6-15(19)31(27,28)25(2)18(20)24-19/h4-5,8-10,15H,6-7H2,1-3H3,(H2,20,24)(H,23,26)/t15-,19-/m1/s1 DOCKLMLUDPVBSF-DNVCBOLYSA-N 370633 US10238743, Example 9 Beta-secretase 1 Homo sapiens 591 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264500 402357613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733173 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O InChI=1S/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19+/m0/s1 NQDVPEIIZBFNNR-QFBILLFUSA-N 370634 US10238743, Example 10 Beta-secretase 1 Homo sapiens 35.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264054 402357614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733175 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)S1(=O)=O InChI=1S/C19H19Cl2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1 MQGUDCZSNZTAGD-HNAYVOBHSA-N 370635 US10238743, Example 11 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264099 402357615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733177 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O InChI=1S/C20H21F2N5O5S/c1-20-13-9-11(25-17(28)14-5-4-12(10-24-14)32-18(21)22)3-6-15(13)31-8-7-16(20)33(29,30)27(2)19(23)26-20/h3-6,9-10,16,18H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1 AOVOIBGZHGBEKJ-OXJNMPFZSA-N 370636 US10238743, Example 12 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264051 402357616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733179 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O InChI=1S/C19H19ClFN5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1 JDSBPYYVHOZZTK-HNAYVOBHSA-N 370637 US10238743, Example 13 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264055 402357617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733181 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O InChI=1S/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19+/m0/s1 KKURNFJVRFPQSR-QFBILLFUSA-N 370638 US10238743, Example 14 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264096 402357618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733183 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O InChI=1S/C19H19F2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1 QXHMHKYXJWWEGI-HNAYVOBHSA-N 370639 US10238743, Example 15 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264097 402357619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733185 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1 WHPBHJQRLDCBOO-FXAWDEMLSA-N 370640 US10238743, Example 16 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264098 402357620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733187 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O InChI=1S/C20H23N5O4S/c1-12-4-6-15(22-11-12)18(26)23-13-5-7-16-14(10-13)20(2)17(8-9-29-16)30(27,28)25(3)19(21)24-20/h4-7,10-11,17H,8-9H2,1-3H3,(H2,21,24)(H,23,26)/t17-,20+/m0/s1 SXJQMNQJLJONJL-FXAWDEMLSA-N 370641 US10238743, Example 17 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264154 402357621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733189 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)S1(=O)=O InChI=1S/C20H20F3N5O4S/c1-19-13-9-12(26-17(29)14-5-3-11(10-25-14)20(21,22)23)4-6-15(13)32-8-7-16(19)33(30,31)28(2)18(24)27-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t16-,19+/m0/s1 TZDOKTGXMRFADW-QFBILLFUSA-N 370642 US10238743, Example 18 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264073 402357622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733191 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O InChI=1S/C20H20F3N5O5S/c1-19-13-9-11(26-17(29)14-5-4-12(10-25-14)33-20(21,22)23)3-6-15(13)32-8-7-16(19)34(30,31)28(2)18(24)27-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t16-,19+/m0/s1 RUFRNSXADNDLRS-QFBILLFUSA-N 370643 US10238743, Example 19 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264075 402357623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733193 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O InChI=1S/C20H19ClF3N5O4S/c1-19-12-8-11(27-17(30)16-13(21)7-10(9-26-16)20(22,23)24)3-4-14(12)33-6-5-15(19)34(31,32)29(2)18(25)28-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,25,28)(H,27,30)/t15-,19+/m0/s1 JRIDJYOHMNMXJY-HNAYVOBHSA-N 370644 US10238743, Example 20 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264069 402357624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733195 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O InChI=1S/C21H25N5O3S/c1-13-7-10-17(23-12-13)19(27)24-15-9-8-14-5-4-6-18-21(2,16(14)11-15)25-20(22)26(3)30(18,28)29/h7-12,18H,4-6H2,1-3H3,(H2,22,25)(H,24,27)/t18-,21+/m0/s1 XTSBKSPMWSFRNG-GHTZIAJQSA-N 370645 US10238743, Example 21 Beta-secretase 1 Homo sapiens 45.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264057 402357625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733197 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O InChI=1S/C21H23F2N5O4S/c1-21-15-10-13(26-18(29)16-9-8-14(11-25-16)32-19(22)23)7-6-12(15)4-3-5-17(21)33(30,31)28(2)20(24)27-21/h6-11,17,19H,3-5H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21+/m0/s1 MGJBRXXHCGQXNA-LAUBAEHRSA-N 370646 US10238743, Example 22 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264058 402357626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733199 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O InChI=1S/C20H22ClN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1 IMPHIXJRCFZJFF-FXAWDEMLSA-N 370647 US10238743, Example 23 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264088 402357627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733201 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O InChI=1S/C20H24N6O3S/c1-12-10-23-16(11-22-12)18(27)24-14-8-7-13-5-4-6-17-20(2,15(13)9-14)25-19(21)26(3)30(17,28)29/h7-11,17H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t17-,20+/m0/s1 WVGQBKGRCZGLLS-FXAWDEMLSA-N 370648 US10238743, Example 24 Beta-secretase 1 Homo sapiens 168 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264090 402357628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733203 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O InChI=1S/C20H21ClFN5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1 JQMOARZXLBJMRV-OXJNMPFZSA-N 370649 US10238743, Example 25 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264091 402357629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733205 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O InChI=1S/C20H21F2N5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1 FLSPKWHZMHOXQA-OXJNMPFZSA-N 370650 US10238743, Example 26 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264189 402357630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733207 COc1cc(Br)cnc1C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 InChI=1S/C21H24BrN5O4S/c1-21-15-10-14(25-19(28)18-16(31-3)9-13(22)11-24-18)8-7-12(15)5-4-6-17(21)32(29,30)27(2)20(23)26-21/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/m0/s1 ORCOAINGXGNJSU-LAUBAEHRSA-N 370651 US10238743, Example 27 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130365605 402357631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733209 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O InChI=1S/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1 CYYGFSQYPWRMCV-FXAWDEMLSA-N 370653 US10238743, Example 28 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264187 402357633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733211 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O InChI=1S/C21H22F3N5O4S/c1-20-15-10-13(27-18(30)16-9-8-14(11-26-16)33-21(22,23)24)7-6-12(15)4-3-5-17(20)34(31,32)29(2)19(25)28-20/h6-11,17H,3-5H2,1-2H3,(H2,25,28)(H,27,30)/t17-,20+/m0/s1 ISKUNNVBERQAHK-FXAWDEMLSA-N 370654 US10238743, Example 29 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130384043 402357634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733213 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O InChI=1S/C21H21ClF3N5O3S/c1-20-14-9-13(28-18(31)17-15(22)8-12(10-27-17)21(23,24)25)7-6-11(14)4-3-5-16(20)34(32,33)30(2)19(26)29-20/h6-10,16H,3-5H2,1-2H3,(H2,26,29)(H,28,31)/t16-,20+/m0/s1 UPCFMTSTZHVCAO-OXJNMPFZSA-N 370655 US10238743, Example 30 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264079 402357635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733215 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O InChI=1S/C21H24FN5O3S/c1-12-9-14(22)11-24-18(12)19(28)25-15-8-7-13-5-4-6-17-21(2,16(13)10-15)26-20(23)27(3)31(17,29)30/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/m0/s1 RBDWHBDFBVIGPN-LAUBAEHRSA-N 370656 US10238743, Example 31 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370656&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264160 402357636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733217 COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)c1 InChI=1S/C22H27N5O4S/c1-13-10-16(31-4)12-24-19(13)20(28)25-15-9-8-14-6-5-7-18-22(2,17(14)11-15)26-21(23)27(3)32(18,29)30/h8-12,18H,5-7H2,1-4H3,(H2,23,26)(H,25,28)/t18-,22+/m0/s1 BQPGVTWONMKTNH-PGRDOPGGSA-N 370657 US10238743, Example 32 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264078 402357637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733219 COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)n1 InChI=1S/C21H26N6O4S/c1-12-18(23-11-17(24-12)31-4)19(28)25-14-9-8-13-6-5-7-16-21(2,15(13)10-14)26-20(22)27(3)32(16,29)30/h8-11,16H,5-7H2,1-4H3,(H2,22,26)(H,25,28)/t16-,21+/m0/s1 PFMZYCZDLWXHEQ-HRAATJIYSA-N 370658 US10238743, Example 33 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264084 402357638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733221 COc1cnc(cn1)C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 InChI=1S/C20H24N6O4S/c1-20-14-9-13(24-18(27)15-10-23-17(30-3)11-22-15)8-7-12(14)5-4-6-16(20)31(28,29)26(2)19(21)25-20/h7-11,16H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t16-,20+/m0/s1 UZHDOSYNYLBRFI-OXJNMPFZSA-N 370659 US10238743, Example 34 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264085 402357639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733223 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)S1(=O)=O InChI=1S/C22H24N6O3S/c1-13-9-14(11-23)12-25-19(13)20(29)26-16-8-7-15-5-4-6-18-22(2,17(15)10-16)27-21(24)28(3)32(18,30)31/h7-10,12,18H,4-6H2,1-3H3,(H2,24,27)(H,26,29)/t18-,22+/m0/s1 BMECTRKCNNRLOE-PGRDOPGGSA-N 370660 US10238743, Example 35 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264082 402357640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733225 CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O InChI=1S/C21H22N6O3S/c1-21-16-10-15(25-19(28)17-9-6-13(11-22)12-24-17)8-7-14(16)4-3-5-18(21)31(29,30)27(2)20(23)26-21/h6-10,12,18H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t18-,21+/m0/s1 DXOCMNBLELQBRX-GHTZIAJQSA-N 370661 US10238743, Example 36 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264076 402357641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733227 CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O InChI=1S/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1 CYYGFSQYPWRMCV-YLJYHZDGSA-N 370662 US10238743, Example 37 Beta-secretase 1 Homo sapiens 159 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264077 402357642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733229 CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O InChI=1S/C21H23F2N5O4S/c1-21-15-10-13(26-18(29)16-9-8-14(11-25-16)32-19(22)23)7-6-12(15)4-3-5-17(21)33(30,31)28(2)20(24)27-21/h6-11,17,19H,3-5H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21-/m1/s1 MGJBRXXHCGQXNA-DYESRHJHSA-N 370663 US10238743, Example 38 Beta-secretase 1 Homo sapiens 80.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370663&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264081 402357643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733231 CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O InChI=1S/C21H22N6O3S/c1-21-16-10-15(25-19(28)17-9-6-13(11-22)12-24-17)8-7-14(16)4-3-5-18(21)31(29,30)27(2)20(23)26-21/h6-10,12,18H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t18-,21-/m1/s1 DXOCMNBLELQBRX-WIYYLYMNSA-N 370664 US10238743, Example 39 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370664&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264080 402357644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733233 CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O InChI=1S/C20H24N6O3S/c1-12-10-23-16(11-22-12)18(27)24-14-8-7-13-5-4-6-17-20(2,15(13)9-14)25-19(21)26(3)30(17,28)29/h7-11,17H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t17-,20-/m1/s1 WVGQBKGRCZGLLS-YLJYHZDGSA-N 370665 US10238743, Example 40 Beta-secretase 1 Homo sapiens 1386 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370665&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264083 402357645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733235 COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1 InChI=1S/C21H23N7O4S/c1-21-13-10-12(25-19-18-14(6-8-23-19)26-17(31-3)11-24-18)4-5-15(13)32-9-7-16(21)33(29,30)28(2)20(22)27-21/h4-6,8,10-11,16H,7,9H2,1-3H3,(H2,22,27)(H,23,25)/t16-,21+/m0/s1 LHWUGHDECXWGMF-HRAATJIYSA-N 370666 US10238743, Example 41 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264065 402357646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733237 COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2c1 InChI=1S/C22H24N6O4S/c1-22-15-10-13(26-16-6-8-24-17-11-14(31-3)12-25-20(16)17)4-5-18(15)32-9-7-19(22)33(29,30)28(2)21(23)27-22/h4-6,8,10-12,19H,7,9H2,1-3H3,(H2,23,27)(H,24,26)/t19-,22+/m0/s1 VQDBEIDPOZRASW-SIKLNZKXSA-N 370667 US10238743, Example 42 Beta-secretase 1 Homo sapiens 412 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264068 402357647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733239 COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1 InChI=1S/C22H24N6O4S/c1-22-16-11-14(26-20-19-13(6-8-24-20)10-15(31-3)12-25-19)4-5-17(16)32-9-7-18(22)33(29,30)28(2)21(23)27-22/h4-6,8,10-12,18H,7,9H2,1-3H3,(H2,23,27)(H,24,26)/t18-,22+/m0/s1 QQQQOCVJTRKGNQ-PGRDOPGGSA-N 370668 US10238743, Example 43 Beta-secretase 1 Homo sapiens 57.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264092 402357648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733241 COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1 InChI=1S/C22H25N7O3S/c1-22-15-11-14(26-20-19-16(9-10-24-20)27-18(32-3)12-25-19)8-7-13(15)5-4-6-17(22)33(30,31)29(2)21(23)28-22/h7-12,17H,4-6H2,1-3H3,(H2,23,28)(H,24,26)/t17-,22+/m0/s1 WJQUEGMQBAZKLH-HTAPYJJXSA-N 370669 US10238743, Example 44 Beta-secretase 1 Homo sapiens 45.0 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264070 402357649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733243 COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2n1 InChI=1S/C22H25N7O3S/c1-22-15-11-14(26-16-9-10-24-20-19(16)25-12-18(27-20)32-3)8-7-13(15)5-4-6-17(22)33(30,31)29(2)21(23)28-22/h7-12,17H,4-6H2,1-3H3,(H2,23,28)(H,24,26,27)/t17-,22+/m0/s1 QXHIESZXBBBMJR-HTAPYJJXSA-N 370670 US10238743, Example 45 Beta-secretase 1 Homo sapiens 547 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264064 402357650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733245 COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1 InChI=1S/C23H26N6O3S/c1-23-18-12-16(27-21-20-15(9-10-25-21)11-17(32-3)13-26-20)8-7-14(18)5-4-6-19(23)33(30,31)29(2)22(24)28-23/h7-13,19H,4-6H2,1-3H3,(H2,24,28)(H,25,27)/t19-,23+/m0/s1 NIWDAVIAMIRGTH-WMZHIEFXSA-N 370671 US10238743, Example 46 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264431 402357651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733247 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC4CCCC4)cc23)S1(=O)=O InChI=1S/C18H26N4O3S/c1-18-14-11-13(20-12-5-3-4-6-12)7-8-15(14)25-10-9-16(18)26(23,24)22(2)17(19)21-18/h7-8,11-12,16,20H,3-6,9-10H2,1-2H3,(H2,19,21)/t16-,18+/m0/s1 RWPYRLCUTYIVDS-FUHWJXTLSA-N 370672 US10238743, Example 47 Beta-secretase 1 Homo sapiens 348 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264532 402357652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733249 CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NCC4CC4)cc23)S1(=O)=O InChI=1S/C17H24N4O3S/c1-17-13-9-12(19-10-11-3-4-11)5-6-14(13)24-8-7-15(17)25(22,23)21(2)16(18)20-17/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H2,18,20)/t15-,17+/m0/s1 BOTBIBLHJMSJGQ-DOTOQJQBSA-N 370673 US10238743, Example 48 Beta-secretase 1 Homo sapiens 880 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264533 402357653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 733251 CCCNc1ccc2OCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 InChI=1S/C16H24N4O3S/c1-4-8-18-11-5-6-13-12(10-11)16(2)14(7-9-23-13)24(21,22)20(3)15(17)19-16/h5-6,10,14,18H,4,7-9H2,1-3H3,(H2,17,19)/t14-,16+/m0/s1 RKYXWWPVBNXJLB-GOEBONIOSA-N 370674 US10238743, Example 49 Beta-secretase 1 Homo sapiens 918 US Patent 10.7270/Q2JQ13BX aid1798129 US10238743 He, S; Cumming, JN; Scott, JD TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=370674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=370674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264556 402357654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739570 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3nc(C)no3)cn2)ccc1F InChI=1S/C25H25F2N7O3S/c1-13-31-21(37-33-13)12-36-20-11-29-18(10-30-20)17(27)8-14-5-6-16(26)15(7-14)24(2)19-9-25(19,22(35)34(3)4)38-23(28)32-24/h5-8,10-11,19H,9,12H2,1-4H3,(H2,28,32)/b17-8-/t19-,24+,25-/m0/s1 USKUAHWTBULDMG-UMCZMAMBSA-N 372801 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((3-methyl-1,2,4-oxadiazol-5-yl)methoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 217 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555100 402359737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739573 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F InChI=1S/C26H26F2N6O3S/c1-14-7-16(37-33-14)13-36-22-12-30-20(11-31-22)19(28)9-15-5-6-18(27)17(8-15)25(2)21-10-26(21,23(35)34(3)4)38-24(29)32-25/h5-9,11-12,21H,10,13H2,1-4H3,(H2,29,32)/b19-9-/t21-,25+,26-/m0/s1 QWGNZHGLGDDLOU-QESUPJEVSA-N 372802 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((3-methylisoxazol-5-yl)methoxy)pyrazin-2-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 218 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524620 402359738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739576 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(s2)C#N)ccc1F InChI=1S/C21H19F2N5OS2/c1-20(16-8-21(16,18(29)28(2)3)31-19(25)27-20)13-6-11(4-5-14(13)22)7-15(23)17-26-10-12(9-24)30-17/h4-7,10,16H,8H2,1-3H3,(H2,25,27)/b15-7-/t16-,20+,21-/m0/s1 HUYMMLBCNOXXQM-PLLJPQRWSA-N 372803 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanothiazol-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 219 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557182 402359739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739579 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(s2)C#N)ccc1F InChI=1S/C22H20F2N4OS2/c1-21(18-10-22(18,19(29)28(2)3)31-20(26)27-21)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(11-25)30-17/h4-9,18H,10H2,1-3H3,(H2,26,27)/b16-9-/t18-,21+,22-/m0/s1 KADCOBWPLLZJEJ-LLYJTOGPSA-N 372804 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanothiophen-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 220 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557118 402359740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739582 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(cc1)C#N InChI=1S/C24H22F2N4OS/c1-23(20-12-24(20,21(31)30(2)3)32-22(28)29-23)17-11-16(8-9-18(17)25)19(26)10-14-4-6-15(13-27)7-5-14/h4-11,20H,12H2,1-3H3,(H2,28,29)/b19-10-/t20-,23+,24-/m0/s1 HZZFSMGJPIYQAR-KHTKAAKSSA-N 372783 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(4-cyanophenyl)-1-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 186::US10246429, Example 221 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557184 402359719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739585 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H19F2N5OS/c1-21(18-9-22(18,19(30)27-2)31-20(26)29-21)14-7-12(3-5-15(14)23)8-16(24)17-6-4-13(10-25)11-28-17/h3-8,11,18H,9H2,1-2H3,(H2,26,29)(H,27,30)/b16-8-/t18-,21+,22-/m0/s1 XXLIOBKVJNBTMS-ZKMBLFMTSA-N 372806 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 222 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556763 402359741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739588 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C21H18F2N6OS/c1-20(17-7-21(17,18(30)26-2)31-19(25)29-20)13-5-11(3-4-14(13)22)6-15(23)16-10-27-12(8-24)9-28-16/h3-6,9-10,17H,7H2,1-2H3,(H2,25,29)(H,26,30)/b15-6-/t17-,20+,21-/m0/s1 VOOFSJSMHWHJPL-ZSWMORAZSA-N 372807 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 223 Beta-secretase 1 Homo sapiens 1.80 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555026 402359742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739591 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C22H19F5N4OS/c1-20(17-9-21(17,18(32)29-2)33-19(28)31-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(10-30-16)22(25,26)27/h3-8,10,17H,9H2,1-2H3,(H2,28,31)(H,29,32)/b15-8-/t17-,20+,21-/m0/s1 FVSVPSYLOWTSHK-NZUJZPRYSA-N 372808 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(trifluoromethyl)pyridin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 224 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556857 402359743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739594 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(cc2C)C#N)ccc1F InChI=1S/C23H21F2N5OS/c1-12-6-14(10-26)11-29-19(12)17(25)8-13-4-5-16(24)15(7-13)22(2)18-9-23(18,20(31)28-3)32-21(27)30-22/h4-8,11,18H,9H2,1-3H3,(H2,27,30)(H,28,31)/b17-8-/t18-,22+,23-/m0/s1 PXGVBAVSVKPASH-YWICPGKJSA-N 372809 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyano-3-methylpyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 225 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555352 402359744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739597 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cnco3)cn2)ccc1F InChI=1S/C24H22F2N6O3S/c1-23(19-7-24(19,21(33)28-2)36-22(27)32-23)15-5-13(3-4-16(15)25)6-17(26)18-9-31-20(10-30-18)34-11-14-8-29-12-35-14/h3-6,8-10,12,19H,7,11H2,1-2H3,(H2,27,32)(H,28,33)/b17-6-/t19-,23+,24-/m0/s1 SVAZGBSHBQTVDM-JHFWHATFSA-N 372810 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(oxazol-5-ylmethoxy)pyrazin-2-yl)vinyl)phenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 226 Beta-secretase 1 Homo sapiens 126 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557192 402359745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739600 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H20F2N4O3S2/c1-4-7-31-19-12-26-17(11-27-19)16(24)9-13-5-6-15(23)14(8-13)21(2)18-10-22(18,33(3,29)30)32-20(25)28-21/h1,5-6,8-9,11-12,18H,7,10H2,2-3H3,(H2,25,28)/b16-9-/t18-,21+,22+/m0/s1 WATKSQNPDRPROG-XJIPBONXSA-N 372811 (1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 227 Beta-secretase 1 Homo sapiens 0.600 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285462 402359746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739603 Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)S[C@]3(C[C@@H]23)S(C)(=O)=O)o1 InChI=1S/C23H22F2N6O4S2/c1-12-30-31-20(35-12)11-34-19-10-27-17(9-28-19)16(25)7-13-4-5-15(24)14(6-13)22(2)18-8-23(18,37(3,32)33)36-21(26)29-22/h4-7,9-10,18H,8,11H2,1-3H3,(H2,26,29)/b16-7-/t18-,22+,23+/m0/s1 MERYWODKTRQASW-LKONLRGWSA-N 372812 (1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((5-methyl-1,3,4-oxadiazol-2-yl)methoxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 228 Beta-secretase 1 Homo sapiens 24.6 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285403 402359747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739606 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C21H19F5N4O3S2/c1-19(16-7-20(16,35(2,31)32)34-18(27)30-19)12-5-11(3-4-13(12)22)6-14(23)15-8-29-17(9-28-15)33-10-21(24,25)26/h3-6,8-9,16H,7,10H2,1-2H3,(H2,27,30)/b14-6-/t16-,19+,20+/m0/s1 ZTUZJEHLQLTKMH-JNBPKBJUSA-N 372813 (1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 229 Beta-secretase 1 Homo sapiens 14.7 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557195 402359748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739609 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H17ClF2N4O2S2/c1-18(15-7-19(15,30(2,27)28)29-17(23)26-18)11-5-10(3-4-12(11)21)6-13(22)14-8-25-16(20)9-24-14/h3-6,8-9,15H,7H2,1-2H3,(H2,23,26)/b13-6-/t15-,18+,19+/m0/s1 RACZYCUUTKISCV-OCVCIRIZSA-N 372814 (1R,5S,6S)-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 230 Beta-secretase 1 Homo sapiens 5.70 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556863 402359749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739612 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O InChI=1S/C23H22F2N4O3S2/c1-4-5-8-32-20-13-27-18(12-28-20)17(25)10-14-6-7-16(24)15(9-14)22(2)19-11-23(19,34(3,30)31)33-21(26)29-22/h6-7,9-10,12-13,19H,8,11H2,1-3H3,(H2,26,29)/b17-10-/t19-,22+,23+/m0/s1 BKSJVUKEEUFBSI-ITHVVHDKSA-N 372815 (1R,5S,6S)-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 231 Beta-secretase 1 Homo sapiens 0.200 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524075 402359750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739615 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)C#C InChI=1S/C23H22F2N4O3S2/c1-5-13(2)32-20-12-27-18(11-28-20)17(25)9-14-6-7-16(24)15(8-14)22(3)19-10-23(19,34(4,30)31)33-21(26)29-22/h1,6-9,11-13,19H,10H2,2-4H3,(H2,26,29)/b17-9-/t13-,19-,22+,23+/m0/s1 FDHHRWRYGLMHDI-XIMBKFHCSA-N 372816 (1R,5S,6S)-5-(5-((Z)-2-(5-((S)-but-3-yn-2-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 232 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523872 402359751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739618 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F2N4O2S2/c1-20(18-9-21(18,31(2,28)29)30-19(25)27-20)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(10-24)11-26-17/h3-8,11,18H,9H2,1-2H3,(H2,25,27)/b16-8-/t18-,20+,21+/m0/s1 GFASAWMOOYRMJU-WYVHCHOOSA-N 372817 6-((Z)-2-(3-((1R,5S,6S)-3-amino-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 233 Beta-secretase 1 Homo sapiens 1.60 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285478 402359752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739621 CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H20F2N4O2S/c1-4-7-31-20-12-27-18(11-28-20)17(25)9-14-5-6-16(24)15(8-14)22(3)19-10-23(19,13(2)30)32-21(26)29-22/h1,5-6,8-9,11-12,19H,7,10H2,2-3H3,(H2,26,29)/b17-9-/t19-,22+,23+/m0/s1 VZDYBRKATAOFCN-PIGXPCJYSA-N 372818 1-((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)ethanone::US10246429, Example 234 Beta-secretase 1 Homo sapiens 5.90 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524744 402359753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739624 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(C)=O InChI=1S/C24H22F2N4O2S/c1-4-5-8-32-21-13-28-19(12-29-21)18(26)10-15-6-7-17(25)16(9-15)23(3)20-11-24(20,14(2)31)33-22(27)30-23/h6-7,9-10,12-13,20H,8,11H2,1-3H3,(H2,27,30)/b18-10-/t20-,23+,24+/m0/s1 KJHZTBSKBYEHQO-OKPMIQMTSA-N 372819 1-((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)ethanone::US10246429, Example 235 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285425 402359754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739627 CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C22H19F5N4O2S/c1-11(32)21-7-17(21)20(2,31-19(28)34-21)13-5-12(3-4-14(13)23)6-15(24)16-8-30-18(9-29-16)33-10-22(25,26)27/h3-6,8-9,17H,7,10H2,1-2H3,(H2,28,31)/b15-6-/t17-,20+,21+/m0/s1 ZUIIBOOGEQFYMD-AVTOPLFFSA-N 372820 1-((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)ethanone::US10246429, Example 236 Beta-secretase 1 Homo sapiens 118 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285427 402359755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739630 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(C)=O)C#C InChI=1S/C24H22F2N4O2S/c1-5-13(2)32-21-12-28-19(11-29-21)18(26)9-15-6-7-17(25)16(8-15)23(4)20-10-24(20,14(3)31)33-22(27)30-23/h1,6-9,11-13,20H,10H2,2-4H3,(H2,27,30)/b18-9-/t13-,20-,23+,24+/m0/s1 DHCXLPMQECZENY-MCGFEWDGSA-N 372821 1-((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-((S)-but-3-yn-2-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)ethanone::US10246429, Example 237 Beta-secretase 1 Homo sapiens 3.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126554901 402359756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739633 CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H18F2N4OS/c1-12(29)22-9-19(22)21(2,28-20(26)30-22)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(10-25)11-27-18/h3-8,11,19H,9H2,1-2H3,(H2,26,28)/b17-8-/t19-,21+,22+/m0/s1 BXVBTUULDWOVOF-FQRJWFRCSA-N 372822 6-((Z)-2-(3-((1S,5S,6S)-1-acetyl-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 238 Beta-secretase 1 Homo sapiens 12.1 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558779 402359757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739636 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H19F2N5O2S/c1-3-6-31-18-11-27-16(10-28-18)15(24)8-12-4-5-14(23)13(7-12)21(2)17-9-22(17,19(25)30)32-20(26)29-21/h1,4-5,7-8,10-11,17H,6,9H2,2H3,(H2,25,30)(H2,26,29)/b15-8-/t17-,21+,22-/m0/s1 BFWGHXSMTZQEFO-WYOHQZQDSA-N 372823 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 239 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556757 402359758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739639 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C#N)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H17F2N5OS/c1-3-6-30-19-11-27-17(10-28-19)16(24)8-13-4-5-15(23)14(7-13)21(2)18-9-22(18,12-25)31-20(26)29-21/h1,4-5,7-8,10-11,18H,6,9H2,2H3,(H2,26,29)/b16-8-/t18-,21+,22+/m0/s1 RTIWDSCRBVYFLG-MJPIYPAMSA-N 372829 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carbonitrile::US10246429, Example 240 Beta-secretase 1 Homo sapiens 1.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285405 402359764 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739642 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(N)=O InChI=1S/C23H21F2N5O2S/c1-3-4-7-32-19-12-28-17(11-29-19)16(25)9-13-5-6-15(24)14(8-13)22(2)18-10-23(18,20(26)31)33-21(27)30-22/h5-6,8-9,11-12,18H,7,10H2,1-2H3,(H2,26,31)(H2,27,30)/b16-9-/t18-,22+,23-/m0/s1 NNXXSMMVPWTXHI-JLUYBFTRSA-N 372830 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 241 Beta-secretase 1 Homo sapiens 0.400 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557058 402359765 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739645 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H17ClF2N4OS/c1-19(16-8-20(16,17(24)28)29-18(25)27-19)12-6-10(2-4-13(12)22)7-14(23)15-5-3-11(21)9-26-15/h2-7,9,16H,8H2,1H3,(H2,24,28)(H2,25,27)/b14-7-/t16-,19+,20-/m0/s1 ZRMOHAFBLTVHGJ-USPQDSGZSA-N 372831 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 242 Beta-secretase 1 Homo sapiens 16.4 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557720 402359766 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739648 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F2N5OS/c1-20(17-8-21(17,18(25)29)30-19(26)28-20)13-6-11(2-4-14(13)22)7-15(23)16-5-3-12(9-24)10-27-16/h2-7,10,17H,8H2,1H3,(H2,25,29)(H2,26,28)/b15-7-/t17-,20+,21-/m0/s1 BUVWCCPQMQXFJD-KUDAXZBBSA-N 372832 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 243 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555282 402359767 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739651 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N InChI=1S/C23H19F2N5OS/c1-3-4-7-31-20-12-28-18(11-29-20)17(25)9-14-5-6-16(24)15(8-14)22(2)19-10-23(19,13-26)32-21(27)30-22/h5-6,8-9,11-12,19H,7,10H2,1-2H3,(H2,27,30)/b17-9-/t19-,22+,23+/m0/s1 IOARFOYMAGIOGC-PIGXPCJYSA-N 372833 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carbonitrile::US10246429, Example 244 Beta-secretase 1 Homo sapiens 0.400 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285434 402359768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739654 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C#N)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15F2N5S/c1-20(18-8-21(18,11-25)29-19(26)28-20)14-6-12(2-4-15(14)22)7-16(23)17-5-3-13(9-24)10-27-17/h2-7,10,18H,8H2,1H3,(H2,26,28)/b16-7-/t18-,20+,21+/m0/s1 BWYRAQSHPCCAPW-PRQBLYAZSA-N 372834 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carbonitrile::US10246429, Example 245 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555283 402359769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739657 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cn3cc(ccc3n2)C#N)ccc1F InChI=1S/C25H22F2N6OS/c1-24(20-10-25(20,22(34)32(2)3)35-23(29)31-24)16-8-14(4-6-17(16)26)9-18(27)19-13-33-12-15(11-28)5-7-21(33)30-19/h4-9,12-13,20H,10H2,1-3H3,(H2,29,31)/b18-9-/t20-,24+,25-/m0/s1 AHTIQAIERQCYSY-LKXBDJSQSA-N 372835 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(6-cyanoimidazo[1,2-a]pyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 246 Beta-secretase 1 Homo sapiens 171 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285453 402359770 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739660 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cc3nccnc3cn2)ccc1F InChI=1S/C24H22F2N6OS/c1-23(20-11-24(20,21(33)32(2)3)34-22(27)31-23)14-8-13(4-5-15(14)25)9-16(26)17-10-18-19(12-30-17)29-7-6-28-18/h4-10,12,20H,11H2,1-3H3,(H2,27,31)/b16-9-/t20-,23+,24-/m0/s1 KMBSVVYIQKJTAT-UELTYCCSSA-N 372836 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(pyrido[3,4-b]pyrazin-7-yl)vinyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 247 Beta-secretase 1 Homo sapiens 293 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285432 402359771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739663 COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C21H17ClF3N3O2S/c1-20(16-8-21(16,18(29)30-2)31-19(26)28-20)12-5-10(7-14(24)17(12)25)6-13(23)15-4-3-11(22)9-27-15/h3-7,9,16H,8H2,1-2H3,(H2,26,28)/b13-6-/t16-,20+,21-/m0/s1 GUUHNBCLJRRGLE-QQWCOGLLSA-N 372837 (1S,5S,6S)-methyl 3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2,3-difluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 248 Beta-secretase 1 Homo sapiens 62.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555281 402359772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739666 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C23H22F2N4O3S/c1-22(19-10-23(19,20(30)27-2)33-21(26)29-22)13-7-12(3-4-14(13)24)8-15(25)16-9-17-18(11-28-16)32-6-5-31-17/h3-4,7-9,11,19H,5-6,10H2,1-2H3,(H2,26,29)(H,27,30)/b15-8-/t19-,22+,23-/m0/s1 BJFIQQLHDVZBOG-PPXYPUDMSA-N 372838 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 249 Beta-secretase 1 Homo sapiens 293 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557140 402359773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739669 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc3OCCOc3n2)ccc1F InChI=1S/C23H23F2N5O3S/c1-22(17-10-23(17,20(31)30(2)3)34-21(26)29-22)13-8-12(4-5-14(13)24)9-15(25)18-27-11-16-19(28-18)33-7-6-32-16/h4-5,8-9,11,17H,6-7,10H2,1-3H3,(H2,26,29)/b15-9-/t17-,22+,23-/m0/s1 OISXFDYMIVVSMD-YYYFVPBLSA-N 372839 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 250 Beta-secretase 1 Homo sapiens 29.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555030 402359774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739672 COc1ccc(CNC2=N[C@@](C)([C@@H]3C(F)(F)[C@]3(CO)S2)c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)cc1 InChI=1S/C29H24F4N4O2S/c1-27(21-11-18(5-9-22(21)30)12-23(31)24-10-6-19(13-34)15-35-24)25-28(16-38,29(25,32)33)40-26(37-27)36-14-17-3-7-20(39-2)8-4-17/h3-12,15,25,38H,14,16H2,1-2H3,(H,36,37)/b23-12-/t25?,27-,28-/m1/s1 REDXDPVAZZMKTM-UPFHGNMBSA-N 372840 6-((Z)-2-(3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(hydroxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 251 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137033522 402359775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739675 C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H15ClF4N4OS/c1-17(15-18(8-29,19(15,23)24)30-16(25)28-17)10-4-9(2-3-11(10)21)5-12(22)13-6-27-14(20)7-26-13/h2-7,15,29H,8H2,1H3,(H2,25,28)/b12-5-/t15-,17+,18+/m0/s1 GVMSVHLCVOJVER-LPKPKNFYSA-N 372841 ((1S,5S,6R)-3-amino-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-7,7-difluoro-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)methanol::US10246429, Example 252 Beta-secretase 1 Homo sapiens 50.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555288 402359776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739678 C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H18F4N4O2S/c1-3-6-32-17-10-28-16(9-29-17)15(24)8-12-4-5-14(23)13(7-12)20(2)18-21(11-31,22(18,25)26)33-19(27)30-20/h1,4-5,7-10,18,31H,6,11H2,2H3,(H2,27,30)/b15-8-/t18-,20+,21+/m0/s1 LNAZJEOWFRKMPV-FJLUVNQOSA-N 372842 ((1S,5S,6R)-3-amino-7,7-difluoro-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)methanol::US10246429, Example 253 Beta-secretase 1 Homo sapiens 5.40 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555248 402359777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739681 C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H15F4N5OS/c1-18(16-19(9-30,20(16,23)24)31-17(26)29-18)12-4-10(2-3-13(12)21)5-14(22)15-8-27-11(6-25)7-28-15/h2-5,7-8,16,30H,9H2,1H3,(H2,26,29)/b14-5-/t16-,18+,19+/m0/s1 LMJBWNJQVGHCHT-AQYUHIHWSA-N 372844 5-((Z)-2-(3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(hydroxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile trifluoromethyl acetate::US10246429, Example 254 Beta-secretase 1 Homo sapiens 7.50 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556897 402359779 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739684 C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H16ClF4N3OS/c1-18(16-19(9-29,20(16,24)25)30-17(26)28-18)12-6-10(2-4-13(12)22)7-14(23)15-5-3-11(21)8-27-15/h2-8,16,29H,9H2,1H3,(H2,26,28)/b14-7-/t16-,18+,19+/m0/s1 DJANIPFHGUAKPD-HREYTAOQSA-N 372845 ((1S,5S,6R)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-7,7-difluoro-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)methanol::US10246429, Example 255 Beta-secretase 1 Homo sapiens 47.7 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557608 402359780 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739687 COC(=O)[C@@]12SC(N)=N[C@@](C)([C@@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F4N4O2S/c1-20(17-21(18(31)32-2,22(17,25)26)33-19(28)30-20)13-7-11(3-5-14(13)23)8-15(24)16-6-4-12(9-27)10-29-16/h3-8,10,17H,1-2H3,(H2,28,30)/b15-8-/t17-,20+,21-/m0/s1 QESMDGIJFXOIBX-NZUJZPRYSA-N 372846 (1S,5S,6R)-methyl 3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-7,7-difluoro-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate::US10246429, Example 256 Beta-secretase 1 Homo sapiens 28.5 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557173 402359781 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739690 CC(C)(O)[C@@]12SC(N)=N[C@@](C)([C@@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H20F4N4OS/c1-20(2,32)22-18(23(22,26)27)21(3,31-19(29)33-22)14-8-12(4-6-15(14)24)9-16(25)17-7-5-13(10-28)11-30-17/h4-9,11,18,32H,1-3H3,(H2,29,31)/b16-9-/t18-,21+,22-/m0/s1 XULKTEJAVBVPNX-LLYJTOGPSA-N 372847 6-((Z)-2-(3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(2-hydroxypropan-2-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile trifluoromethyl acetate::US10246429, Example 257 Beta-secretase 1 Homo sapiens 17.2 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557170 402359782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739693 COC[C@@]12SC(N)=N[C@@](C)([C@@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H18F4N4OS/c1-20(18-21(11-31-2,22(18,25)26)32-19(28)30-20)14-7-12(3-5-15(14)23)8-16(24)17-6-4-13(9-27)10-29-17/h3-8,10,18H,11H2,1-2H3,(H2,28,30)/b16-8-/t18-,20+,21+/m0/s1 IIHREPZOXKKXEE-WYVHCHOOSA-N 372848 6-((Z)-2-(3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 258 Beta-secretase 1 Homo sapiens 11.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372848&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555302 402359783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739696 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C24H20F4N6OS/c1-22(18-8-24(18,36-21(30)33-22)20(35)34-5-4-23(27,28)12-34)15-6-14(11-32-19(15)26)7-16(25)17-3-2-13(9-29)10-31-17/h2-3,6-7,10-11,18H,4-5,8,12H2,1H3,(H2,30,33)/b16-7-/t18-,22+,24-/m0/s1 BMERFWVSUFPSKD-GETCWEEDSA-N 372849 6-((Z)-2-(5-((1S,5S,6S)-3-amino-1-(3,3-difluoropyrrolidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 259 Beta-secretase 1 Homo sapiens 9.50 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372849&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523877 402359784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739699 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C25H22F4N6OS/c1-23(16-8-15(13-33-20(16)27)9-17(26)18-3-2-14(11-30)12-32-18)19-10-25(19,37-22(31)34-23)21(36)35-6-4-24(28,29)5-7-35/h2-3,8-9,12-13,19H,4-7,10H2,1H3,(H2,31,34)/b17-9-/t19-,23+,25-/m0/s1 AZFBHYHKQYNMKH-IBNCNETESA-N 372850 6-((Z)-2-(5-((1S,5S,6S)-3-amino-1-(4,4-difluoropiperidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 260 Beta-secretase 1 Homo sapiens 28.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524071 402359785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739702 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C20H19ClF2N4OS/c1-19(16-7-20(16,10-28-2)29-18(24)27-19)12-5-11(3-4-13(12)22)6-14(23)15-8-26-17(21)9-25-15/h3-6,8-9,16H,7,10H2,1-2H3,(H2,24,27)/b14-6-/t16-,19+,20+/m0/s1 FXSJKWRRSDJDGV-JNBPKBJUSA-N 372851 (1S,5S,6S)-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 261 Beta-secretase 1 Homo sapiens 24.8 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557181 402359786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739705 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H22F2N4O2S/c1-4-7-31-20-12-27-18(11-28-20)17(25)9-14-5-6-16(24)15(8-14)22(2)19-10-23(19,13-30-3)32-21(26)29-22/h1,5-6,8-9,11-12,19H,7,10,13H2,2-3H3,(H2,26,29)/b17-9-/t19-,22+,23+/m0/s1 AZFGENOAMJOZTC-PIGXPCJYSA-N 372852 (1S,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine.::US10246429, Example 262 Beta-secretase 1 Homo sapiens 11.4 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372852&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285388 402359787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739708 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#CC)cn2)ccc1F InChI=1S/C24H24F2N4O2S/c1-4-5-8-32-21-13-28-19(12-29-21)18(26)10-15-6-7-17(25)16(9-15)23(2)20-11-24(20,14-31-3)33-22(27)30-23/h6-7,9-10,12-13,20H,8,11,14H2,1-3H3,(H2,27,30)/b18-10-/t20-,23+,24+/m0/s1 XFUMHMKHRITTLF-OKPMIQMTSA-N 372853 US10246429, Example 263 Beta-secretase 1 Homo sapiens 17.9 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372853&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555289 402359788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739711 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(O[C@@H](C)C#C)cn2)ccc1F InChI=1S/C24H24F2N4O2S/c1-5-14(2)32-21-12-28-19(11-29-21)18(26)9-15-6-7-17(25)16(8-15)23(3)20-10-24(20,13-31-4)33-22(27)30-23/h1,6-9,11-12,14,20H,10,13H2,2-4H3,(H2,27,30)/b18-9-/t14-,20-,23+,24+/m0/s1 TZPMVFBCNRGHHQ-YYYSQDMTSA-N 372854 US10246429, Example 264 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372854&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126555287 402359789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739714 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OC[C@H](C)OC)cn2)ccc1F InChI=1S/C24H28F2N4O3S/c1-14(32-4)12-33-21-11-28-19(10-29-21)18(26)8-15-5-6-17(25)16(7-15)23(2)20-9-24(20,13-31-3)34-22(27)30-23/h5-8,10-11,14,20H,9,12-13H2,1-4H3,(H2,27,30)/b18-8-/t14-,20-,23+,24+/m0/s1 LXPDDSHUEBLIMV-HCIDPQOSSA-N 372855 US10246429, Example 265 Beta-secretase 1 Homo sapiens 503 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372855&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285392 402359790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739717 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C22H22F4N4O2S/c1-21(17-7-22(17,11-31-2)33-20(27)30-21)13-5-12(3-4-14(13)23)6-15(24)16-8-29-19(9-28-16)32-10-18(25)26/h3-6,8-9,17-18H,7,10-11H2,1-2H3,(H2,27,30)/b15-6-/t17-,21+,22+/m0/s1 QGOCJUNAIACPHY-CIUNRPGCSA-N 372856 US10246429, Example 266 Beta-secretase 1 Homo sapiens 590 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372856&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285419 402359791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739720 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C22H21F5N4O2S/c1-20(17-7-21(17,10-32-2)34-19(28)31-20)13-5-12(3-4-14(13)23)6-15(24)16-8-30-18(9-29-16)33-11-22(25,26)27/h3-6,8-9,17H,7,10-11H2,1-2H3,(H2,28,31)/b15-6-/t17-,20+,21+/m0/s1 VJYNCMOMESNFNS-AVTOPLFFSA-N 372857 US10246429, Example 267 Beta-secretase 1 Homo sapiens 112 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285441 402359792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739723 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCCC(F)(F)F)cn2)ccc1F InChI=1S/C23H23F5N4O2S/c1-21(18-9-22(18,12-33-2)35-20(29)32-21)14-7-13(3-4-15(14)24)8-16(25)17-10-31-19(11-30-17)34-6-5-23(26,27)28/h3-4,7-8,10-11,18H,5-6,9,12H2,1-2H3,(H2,29,32)/b16-8-/t18-,21+,22+/m0/s1 UXDBRFGNPMGRII-MJPIYPAMSA-N 372859 US10246429, Example 268 Beta-secretase 1 Homo sapiens 2585 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285431 402359794 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739726 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCCF)cn2)ccc1F InChI=1S/C22H23F3N4O2S/c1-21(18-9-22(18,12-30-2)32-20(26)29-21)14-7-13(3-4-15(14)24)8-16(25)17-10-28-19(11-27-17)31-6-5-23/h3-4,7-8,10-11,18H,5-6,9,12H2,1-2H3,(H2,26,29)/b16-8-/t18-,21+,22+/m0/s1 MWWSBMQBTHUTEH-MJPIYPAMSA-N 372862 US10246429, Example 269 Beta-secretase 1 Homo sapiens 839 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285410 402359797 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739729 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C24H26F2N4O2S/c1-23(20-9-24(20,13-31-2)33-22(27)30-23)16-7-15(5-6-17(16)25)8-18(26)19-10-29-21(11-28-19)32-12-14-3-4-14/h5-8,10-11,14,20H,3-4,9,12-13H2,1-2H3,(H2,27,30)/b18-8-/t20-,23+,24+/m0/s1 RXAXGCGOEFTXCK-AGCMOHSRSA-N 372863 US10246429, Example 270 Beta-secretase 1 Homo sapiens 660 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285402 402359798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739732 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CCC3)cn2)ccc1F InChI=1S/C25H28F2N4O2S/c1-24(21-10-25(21,14-32-2)34-23(28)31-24)17-8-16(6-7-18(17)26)9-19(27)20-11-30-22(12-29-20)33-13-15-4-3-5-15/h6-9,11-12,15,21H,3-5,10,13-14H2,1-2H3,(H2,28,31)/b19-9-/t21-,24+,25+/m0/s1 AHOCSRKOXSHDRM-SGSMAQGXSA-N 372864 US10246429, Example 271 Beta-secretase 1 Homo sapiens 716 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285420 402359799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739735 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F InChI=1S/C24H26F2N4O3S/c1-23(20-7-24(20,13-31-2)34-22(27)30-23)16-5-14(3-4-17(16)25)6-18(26)19-8-29-21(9-28-19)33-12-15-10-32-11-15/h3-6,8-9,15,20H,7,10-13H2,1-2H3,(H2,27,30)/b18-6-/t20-,23+,24+/m0/s1 OUTOMTGQQPECAT-QKQHWZHFSA-N 372865 US10246429, Example 272 Beta-secretase 1 Homo sapiens 3045 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285385 402359800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739738 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CCO3)cn2)ccc1F InChI=1S/C24H26F2N4O3S/c1-23(20-9-24(20,13-31-2)34-22(27)30-23)16-7-14(3-4-17(16)25)8-18(26)19-10-29-21(11-28-19)33-12-15-5-6-32-15/h3-4,7-8,10-11,15,20H,5-6,9,12-13H2,1-2H3,(H2,27,30)/b18-8-/t15?,20-,23+,24+/m0/s1 UDMRCRQESTYABO-YUAAUURTSA-N 372866 US10246429, Example 273 Beta-secretase 1 Homo sapiens 1310 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557185 402359801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739741 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(C)C)cn2)ccc1F InChI=1S/C24H28F2N4O2S/c1-14(2)12-32-21-11-28-19(10-29-21)18(26)8-15-5-6-17(25)16(7-15)23(3)20-9-24(20,13-31-4)33-22(27)30-23/h5-8,10-11,14,20H,9,12-13H2,1-4H3,(H2,27,30)/b18-8-/t20-,23+,24+/m0/s1 DSFJJLSGXCWRQR-AGCMOHSRSA-N 372867 US10246429, Example 274 Beta-secretase 1 Homo sapiens 1900 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126554875 402359802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739744 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)on3)cn2)ccc1F InChI=1S/C25H25F2N5O3S/c1-14-6-16(32-35-14)12-34-22-11-29-20(10-30-22)19(27)8-15-4-5-18(26)17(7-15)24(2)21-9-25(21,13-33-3)36-23(28)31-24/h4-8,10-11,21H,9,12-13H2,1-3H3,(H2,28,31)/b19-8-/t21-,24+,25+/m0/s1 ZOHISMGUQJDZEY-WRXRTWQVSA-N 372868 US10246429, Example 275 Beta-secretase 1 Homo sapiens 248 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285428 402359803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739747 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F InChI=1S/C25H25F2N5O3S/c1-14-6-16(35-32-14)12-34-22-11-29-20(10-30-22)19(27)8-15-4-5-18(26)17(7-15)24(2)21-9-25(21,13-33-3)36-23(28)31-24/h4-8,10-11,21H,9,12-13H2,1-3H3,(H2,28,31)/b19-8-/t21-,24+,25+/m0/s1 NGQPAWJNGWSCPK-WRXRTWQVSA-N 372869 US10246429, Example 276 Beta-secretase 1 Homo sapiens 825 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285437 402359804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739750 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OC(C)C(F)(F)F)cn2)ccc1F InChI=1S/C23H23F5N4O2S/c1-12(23(26,27)28)34-19-10-30-17(9-31-19)16(25)7-13-4-5-15(24)14(6-13)21(2)18-8-22(18,11-33-3)35-20(29)32-21/h4-7,9-10,12,18H,8,11H2,1-3H3,(H2,29,32)/b16-7-/t12?,18-,21+,22+/m0/s1 AEVZKOWCUVUFJD-SOPRDPFNSA-N 372870 US10246429, Example 277 Beta-secretase 1 Homo sapiens 3505 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285387 402359805 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739753 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC(F)(F)C3)cn2)ccc1F InChI=1S/C25H26F4N4O2S/c1-23(20-9-24(20,13-34-2)36-22(30)33-23)16-5-14(3-4-17(16)26)6-18(27)19-10-32-21(11-31-19)35-12-15-7-25(28,29)8-15/h3-6,10-11,15,20H,7-9,12-13H2,1-2H3,(H2,30,33)/b18-6-/t20-,23+,24+/m0/s1 NWIYSYRPQNHSKZ-QKQHWZHFSA-N 372871 US10246429, Example 278 Beta-secretase 1 Homo sapiens 2280 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285445 402359806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739756 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C28H27F2N5O4S/c1-3-6-39-24-11-32-22(10-33-24)21(30)8-16-4-5-20(29)19(7-16)27(2)23-9-28(23,40-26(31)34-27)25(36)35-17-12-37-14-18(35)15-38-13-17/h1,4-5,7-8,10-11,17-18,23H,6,9,12-15H2,2H3,(H2,31,34)/b21-8-/t17?,18?,23-,27+,28-/m0/s1 NRIZDKUKBXCEHA-NVGNIVMCSA-N 372872 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((1R,5R)-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone::US10246429, Example 279 Beta-secretase 1 Homo sapiens 1.20 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285430 402359807 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 739759 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C25H23F3N6O2S/c1-3-6-36-20-12-30-18(11-31-20)17(27)8-14-7-16(21(28)32-10-14)24(2)19-9-25(19,37-23(29)33-24)22(35)34-5-4-15(26)13-34/h1,7-8,10-12,15,19H,4-6,9,13H2,2H3,(H2,29,33)/b17-8-/t15-,19-,24+,25-/m0/s1 VIRFKBOLQBPCOG-TWMJARFMSA-N 372873 ((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)pyridin-3-yl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)((S)-3-fluoropyrrolidin-1-yl)methanone::US10246429, Example 280 Beta-secretase 1 Homo sapiens 1.30 US Patent 10.7270/Q23J3G8K aid1798187 US10246429 Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Amgen Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285398 402359808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784422 Cl.CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CCCN1 InChI=1S/C27H37N3O3.ClH/c1-3-16-30(17-4-2)27(33)22-13-8-12-21(19-22)26(32)29-24(18-20-10-6-5-7-11-20)25(31)23-14-9-15-28-23;/h5-8,10-13,19,23-25,28,31H,3-4,9,14-18H2,1-2H3,(H,29,32);1H/t23-,24+,25-;/m1./s1 SHBJFWVCFPVGDX-HIYIHDMKSA-N 50250525 CHEMBL4059546 Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637682 401962192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784423 Cl.CC[C@H](C)Nc1cc(cc(n1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1CCCN1 InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19-,20-,23+;/m0./s1 GBLRRACOKGGFKV-AXLPPOLRSA-N 50250526 CHEMBL4076855 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651879 401962193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784424 Cl.CC[C@H](C)Nc1cc(cc(n1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CCCN1 InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19+,20-,23+;/m0./s1 GBLRRACOKGGFKV-KFRMPOMZSA-N 50250527 CHEMBL4066837 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137634151 401962194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784427 OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@H](CN1)OCC1CCCCC1 InChI=1S/C22H32F2N2O4.C2HF3O2/c1-14(27)26-19(9-16-7-17(23)10-18(24)8-16)22(28)20-13-30-21(11-25-20)29-12-15-5-3-2-4-6-15;3-2(4,5)1(6)7/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27);(H,6,7)/t19-,20+,21+,22-;/m0./s1 IMJXMNMVKGTMTI-ITHQHCIYSA-N 50250529 CHEMBL4089395 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137642336 401962196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784432 Cl.CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H37N3O3.ClH/c1-3-15-30(16-4-2)27(33)22-12-8-11-21(18-22)26(32)29-24(17-20-9-6-5-7-10-20)25(31)19-28-23-13-14-23;/h5-12,18,23-25,28,31H,3-4,13-17,19H2,1-2H3,(H,29,32);1H/t24-,25+;/m0./s1 PZRURKATEIHBEZ-CLSOAGJSSA-N 50250534 CHEMBL4069747 Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638295 401962198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784436 Cl.CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CC[C@H](CN1)OCC1CCCCC1 InChI=1S/C23H34F2N2O3.ClH/c1-15(28)27-22(11-17-9-18(24)12-19(25)10-17)23(29)21-8-7-20(13-26-21)30-14-16-5-3-2-4-6-16;/h9-10,12,16,20-23,26,29H,2-8,11,13-14H2,1H3,(H,27,28);1H/t20-,21-,22+,23-;/m1./s1 XNTSUUAJWGQAKA-IDWCSQIQSA-N 50250528 CHEMBL4062101 Beta-secretase 1 Homo sapiens 530 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637305 401962195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784441 COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C1C[C@H](CN1)Oc1ccccc1 InChI=1S/C34H39F2N3O6/c1-43-20-26-7-6-10-39(26)34(42)23-14-22(15-28(16-23)44-2)33(41)38-31(13-21-11-24(35)17-25(36)12-21)32(40)30-18-29(19-37-30)45-27-8-4-3-5-9-27/h3-5,8-9,11-12,14-17,26,29-32,37,40H,6-7,10,13,18-20H2,1-2H3,(H,38,41)/t26-,29-,30?,31+,32-/m1/s1 CJZPFBPNSMNQMT-QHRILEICSA-N 50250537 CHEMBL4071843 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638268 401962201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784442 CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 OMMVFRZSBCRMQD-LJYZBVLISA-N 50397678 CHEMBL2181880 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0KN 4DH6 56940718 163346702 CHEMBL2181880 ZINC95572350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784444 Cl.C[C@@H]1N[C@H](CO[C@H]1OCC1CCCCC1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C23H34F2N2O4.ClH/c1-14-23(30-12-16-6-4-3-5-7-16)31-13-21(26-14)22(29)20(27-15(2)28)10-17-8-18(24)11-19(25)9-17;/h8-9,11,14,16,20-23,26,29H,3-7,10,12-13H2,1-2H3,(H,27,28);1H/t14-,20-,21+,22-,23+;/m0./s1 AIVAMFNNYVSLIS-OYRYOUQPSA-N 50250530 CHEMBL4081363 Beta-secretase 1 Homo sapiens 205 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137648801 401962197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784448 Cl.CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCC1CCCCC1 InChI=1S/C22H32F2N2O3.ClH/c1-14(27)26-21(9-16-7-17(23)10-18(24)8-16)22(28)20-11-19(12-25-20)29-13-15-5-3-2-4-6-15;/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27);1H/t19-,20-,21+,22-;/m1./s1 KLKCUKNYRHNOHV-YGRUNEGGSA-N 50250535 CHEMBL4092459 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137655356 401962199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784450 Cl.C[C@@H]1N[C@H](CO[C@H]1OCC(C)(C)C)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1 PJQGOUVTIKZTOU-QUQQOIKDSA-N 50250536 CHEMBL4077530 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11669598 401962200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722595 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C19H15N5S/c1-19(7-16-15(18(21)24-19)9-22-11-23-16)17-6-14(10-25-17)13-4-2-3-12(5-13)8-20/h2-6,9-11H,7H2,1H3,(H2,21,24)/t19-/m0/s1 NQLPDRCMTPRPMU-IBGZPJMESA-N 365377 US9868738, Example 1 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118958908 402362283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722597 C[C@]1(Cc2ncncc2C(=N)N1)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C21H17N5/c1-21(10-19-18(20(23)26-21)12-24-13-25-19)17-7-3-6-16(9-17)15-5-2-4-14(8-15)11-22/h2-9,12-13H,10H2,1H3,(H2,23,26)/t21-/m0/s1 YFONVDKDPDVRPD-NRFANRHFSA-N 365415 US9868738, Example 2 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974288 402362320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722599 CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(C)Cc2ncncc2C(=N)N1 InChI=1S/C22H19N5/c1-3-5-15-8-17(12-24-11-15)16-6-4-7-18(9-16)22(2)10-20-19(21(23)27-22)13-25-14-26-20/h4,6-9,11-14H,10H2,1-2H3,(H2,23,27)/t22-/m0/s1 YWXVAXXQRYOFMK-QFIPXVFZSA-N 365491 US9868738, Example 3 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974290 402362396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722601 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cncc(Cl)c1 InChI=1S/C19H15ClFN5/c1-19(6-17-14(18(22)26-19)9-24-10-25-17)15-5-11(2-3-16(15)21)12-4-13(20)8-23-7-12/h2-5,7-10H,6H2,1H3,(H2,22,26)/t19-/m0/s1 YRRMYMSCRCEKQV-IBGZPJMESA-N 365533 US9868738, Example 4 Beta-secretase 1 Homo sapiens 253 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974301 402362438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722603 COc1cccc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1 InChI=1S/C21H19FN4O/c1-21(10-19-16(20(23)26-21)11-24-12-25-19)17-9-14(6-7-18(17)22)13-4-3-5-15(8-13)27-2/h3-9,11-12H,10H2,1-2H3,(H2,23,26)/t21-/m0/s1 PMJJSADEANPAHM-NRFANRHFSA-N 365569 US9868738, Example 5 Beta-secretase 1 Homo sapiens 199 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974289 402362474 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722605 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cccc(c1)C(F)(F)F InChI=1S/C21H16F4N4/c1-20(9-18-15(19(26)29-20)10-27-11-28-18)16-8-13(5-6-17(16)22)12-3-2-4-14(7-12)21(23,24)25/h2-8,10-11H,9H2,1H3,(H2,26,29)/t20-/m0/s1 NLWXRLJLVNYKLH-FQEVSTJZSA-N 365570 US9868738, Example 6 Beta-secretase 1 Homo sapiens 3036 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974578 402362475 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722607 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cncnc1 InChI=1S/C18H15FN6/c1-18(5-16-13(17(20)25-18)8-23-10-24-16)14-4-11(2-3-15(14)19)12-6-21-9-22-7-12/h2-4,6-10H,5H2,1H3,(H2,20,25)/t18-/m0/s1 HTGWWXVGZHXPDH-SFHVURJKSA-N 365571 US9868738, Example 7 Beta-secretase 1 Homo sapiens 771 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974586 402362476 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722609 COc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1 InChI=1S/C20H18FN5O/c1-20(7-18-15(19(22)26-20)10-24-11-25-18)16-6-12(3-4-17(16)21)13-5-14(27-2)9-23-8-13/h3-6,8-11H,7H2,1-2H3,(H2,22,26)/t20-/m0/s1 UQOFPICSIVXTIJ-FQEVSTJZSA-N 365572 US9868738, Example 8 Beta-secretase 1 Homo sapiens 225 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974587 402362477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722611 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cncc(c1)C#N InChI=1S/C20H15FN6/c1-20(6-18-15(19(23)27-20)10-25-11-26-18)16-5-13(2-3-17(16)21)14-4-12(7-22)8-24-9-14/h2-5,8-11H,6H2,1H3,(H2,23,27)/t20-/m0/s1 NOOULKVXHSGPOE-FQEVSTJZSA-N 365573 US9868738, Example 9 Beta-secretase 1 Homo sapiens 601 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365573&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974577 402362478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722613 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cccnc1 InChI=1S/C19H16FN5/c1-19(8-17-14(18(21)25-19)10-23-11-24-17)15-7-12(4-5-16(15)20)13-3-2-6-22-9-13/h2-7,9-11H,8H2,1H3,(H2,21,25)/t19-/m0/s1 KPBXMEMNOCXNPW-IBGZPJMESA-N 365574 US9868738, Example 10 Beta-secretase 1 Homo sapiens 746 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365574&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974583 402362479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722615 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cccc(c1)C#N InChI=1S/C21H16FN5/c1-21(9-19-16(20(24)27-21)11-25-12-26-19)17-8-15(5-6-18(17)22)14-4-2-3-13(7-14)10-23/h2-8,11-12H,9H2,1H3,(H2,24,27)/t21-/m0/s1 RIEWDIMPGONAIX-NRFANRHFSA-N 365575 US9868738, Example 11 Beta-secretase 1 Homo sapiens 827 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974590 402362480 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722617 CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1 InChI=1S/C22H18FN5/c1-3-4-14-7-16(11-25-10-14)15-5-6-19(23)18(8-15)22(2)9-20-17(21(24)28-22)12-26-13-27-20/h5-8,10-13H,9H2,1-2H3,(H2,24,28)/t22-/m0/s1 AKPFRQVIUQPXFU-QFIPXVFZSA-N 365576 US9868738, Example 12 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974581 402362481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722619 C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C19H14ClN5S/c1-19(7-15-13(18(22)25-19)9-23-10-24-15)17-14(20)6-16(26-17)12-4-2-3-11(5-12)8-21/h2-6,9-10H,7H2,1H3,(H2,22,25)/t19-/m0/s1 ZCYWICRGFKUFMK-IBGZPJMESA-N 365577 US9868738, Example 13 Beta-secretase 1 Homo sapiens 35.2 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365577&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974589 402362482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722621 C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C18H13ClN6S/c1-18(4-14-12(17(21)25-18)8-23-9-24-14)16-13(19)3-15(26-16)11-2-10(5-20)6-22-7-11/h2-3,6-9H,4H2,1H3,(H2,21,25)/t18-/m0/s1 CLERWLXJNBNPJF-SFHVURJKSA-N 365578 US9868738, Example 14 Beta-secretase 1 Homo sapiens 75.2 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974579 402362483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722623 C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C20H15ClN6OS/c1-20(7-15-13(18(22)26-20)8-23-9-24-15)17-14(21)6-16(29-17)11-3-2-4-12(5-11)19-27-25-10-28-19/h2-6,8-10H,7H2,1H3,(H2,22,26)/t20-/m0/s1 CYLWAHSUTKHAOZ-FQEVSTJZSA-N 365579 US9868738, Example 15 Beta-secretase 1 Homo sapiens 11.1 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365579&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974576 402362484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722625 C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N InChI=1S/C19H13ClFN5S/c1-19(6-15-12(18(23)26-19)8-24-9-25-15)17-13(20)5-16(27-17)10-2-3-14(21)11(4-10)7-22/h2-5,8-9H,6H2,1H3,(H2,23,26)/t19-/m0/s1 ZDVHGIYXMDVSQX-IBGZPJMESA-N 365580 US9868738, Example 16 Beta-secretase 1 Homo sapiens 36.4 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365580&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974588 402362485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722627 C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C20H14ClFN6OS/c1-20(6-15-13(18(23)27-20)7-24-8-25-15)17-14(21)5-16(30-17)10-2-11(4-12(22)3-10)19-28-26-9-29-19/h2-5,7-9H,6H2,1H3,(H2,23,27)/t20-/m0/s1 XNCUFGZJWRTEGY-FQEVSTJZSA-N 365581 US9868738, Example 17 Beta-secretase 1 Homo sapiens 16.5 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974584 402362486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722629 C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C19H13F2N5S/c1-18(19(20,21)16-14(17(23)26-18)8-24-10-25-16)15-6-13(9-27-15)12-4-2-3-11(5-12)7-22/h2-6,8-10H,1H3,(H2,23,26)/t18-/m1/s1 FGWIJLCCIOALDP-GOSISDBHSA-N 365582 US9868738, Example 18 Beta-secretase 1 Homo sapiens 81.5 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365582&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974580 402362487 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722631 C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C19H12ClF2N5S/c1-18(19(21,22)15-12(17(24)27-18)8-25-9-26-15)16-13(20)6-14(28-16)11-4-2-3-10(5-11)7-23/h2-6,8-9H,1H3,(H2,24,27)/t18-/m1/s1 OSEPKQZYTDNPCK-GOSISDBHSA-N 365583 US9868738, Example 19 Beta-secretase 1 Homo sapiens 246 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365583&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974582 402362488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722633 C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C20H13ClF2N6OS/c1-19(20(22,23)15-12(17(24)28-19)7-25-8-26-15)16-13(21)6-14(31-16)10-3-2-4-11(5-10)18-29-27-9-30-18/h2-9H,1H3,(H2,24,28)/t19-/m1/s1 VZPHLMJKNSNKJV-LJQANCHMSA-N 365584 US9868738, Example 20 Beta-secretase 1 Homo sapiens 33.3 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974585 402362489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722635 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C22H19N5/c1-14-25-13-19-20(26-14)11-22(2,27-21(19)24)18-8-4-7-17(10-18)16-6-3-5-15(9-16)12-23/h3-10,13H,11H2,1-2H3,(H2,24,27)/t22-/m0/s1 GIUNNRFRRLPJOB-QFIPXVFZSA-N 365585 US9868738, Example 21 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365585&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974614 402362490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722637 CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(C)Cc2nc(C)ncc2C(=N)N1 InChI=1S/C23H21N5/c1-4-6-16-9-18(13-25-12-16)17-7-5-8-19(10-17)23(3)11-21-20(22(24)28-23)14-26-15(2)27-21/h5,7-10,12-14H,11H2,1-3H3,(H2,24,28)/t23-/m0/s1 DYISBCMYKOHXMD-QHCPKHFHSA-N 365586 US9868738, Example 22 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974615 402362491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722639 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C20H17N5S/c1-12-23-10-16-17(24-12)8-20(2,25-19(16)22)18-7-15(11-26-18)14-5-3-4-13(6-14)9-21/h3-7,10-11H,8H2,1-2H3,(H2,22,25)/t20-/m0/s1 SLQZIXUGMPFPMQ-FQEVSTJZSA-N 365587 US9868738, Example 23 Beta-secretase 1 Homo sapiens 151 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974564 402362492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722641 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C20H16ClN5S/c1-11-24-10-14-16(25-11)8-20(2,26-19(14)23)18-15(21)7-17(27-18)13-5-3-4-12(6-13)9-22/h3-7,10H,8H2,1-2H3,(H2,23,26)/t20-/m0/s1 YCTOTTUXJUFUOS-FQEVSTJZSA-N 365588 US9868738, Example 24 Beta-secretase 1 Homo sapiens 52.7 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974570 402362493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722643 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C19H15ClN6S/c1-10-24-9-13-15(25-10)5-19(2,26-18(13)22)17-14(20)4-16(27-17)12-3-11(6-21)7-23-8-12/h3-4,7-9H,5H2,1-2H3,(H2,22,26)/t19-/m0/s1 NLALSSQJVRHLRO-IBGZPJMESA-N 365589 US9868738, Example 25 Beta-secretase 1 Homo sapiens 125 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974566 402362494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722645 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 InChI=1S/C21H17ClN6OS/c1-11-24-9-14-16(26-11)8-21(2,27-19(14)23)18-15(22)7-17(30-18)12-4-3-5-13(6-12)20-28-25-10-29-20/h3-7,9-10H,8H2,1-2H3,(H2,23,27)/t21-/m0/s1 VVAGRWMNTRXMTL-NRFANRHFSA-N 365590 US9868738, Example 26 Beta-secretase 1 Homo sapiens 10.6 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974562 402362495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722647 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N InChI=1S/C20H15ClFN5S/c1-10-25-9-13-16(26-10)7-20(2,27-19(13)24)18-14(21)6-17(28-18)11-3-4-15(22)12(5-11)8-23/h3-6,9H,7H2,1-2H3,(H2,24,27)/t20-/m0/s1 PMYYRWIFLAFLNY-FQEVSTJZSA-N 365591 US9868738, Example 27 Beta-secretase 1 Homo sapiens 52.1 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974295 402362496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722649 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 InChI=1S/C21H16ClFN6OS/c1-10-25-8-14-16(27-10)7-21(2,28-19(14)24)18-15(22)6-17(31-18)11-3-12(5-13(23)4-11)20-29-26-9-30-20/h3-6,8-9H,7H2,1-2H3,(H2,24,28)/t21-/m0/s1 NWZNGWLSGIKSDF-NRFANRHFSA-N 365592 US9868738, Example 28 Beta-secretase 1 Homo sapiens 16.6 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974302 402362497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722651 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cccc(c1)-c1ncno1 InChI=1S/C21H17ClN6OS/c1-11-24-9-14-16(27-11)8-21(2,28-19(14)23)18-15(22)7-17(30-18)12-4-3-5-13(6-12)20-25-10-26-29-20/h3-7,9-10H,8H2,1-2H3,(H2,23,28)/t21-/m0/s1 VRRDREALBYMNLJ-NRFANRHFSA-N 365593 US9868738, Example 29 Beta-secretase 1 Homo sapiens 482 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974296 402362498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722653 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cccc(c1)-c1cccc(c1)C#N InChI=1S/C24H21N5/c1-24(12-21-20(22(26)29-24)14-27-23(28-21)16-8-9-16)19-7-3-6-18(11-19)17-5-2-4-15(10-17)13-25/h2-7,10-11,14,16H,8-9,12H2,1H3,(H2,26,29)/t24-/m0/s1 TXSYKBPKEBSMNC-DEOSSOPVSA-N 365594 US9868738, Example 30 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974291 402362499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722655 CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1 InChI=1S/C25H23N5/c1-3-5-16-10-19(14-27-13-16)18-6-4-7-20(11-18)25(2)12-22-21(23(26)30-25)15-28-24(29-22)17-8-9-17/h4,6-7,10-11,13-15,17H,8-9,12H2,1-2H3,(H2,26,30)/t25-/m0/s1 WNAPKYYDQNEURL-VWLOTQADSA-N 365595 US9868738, Example 31 Beta-secretase 1 Homo sapiens >1000 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974297 402362500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722657 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H19N5S/c1-22(19-8-16(12-28-19)15-4-2-3-13(7-15)10-23)9-18-17(20(24)27-22)11-25-21(26-18)14-5-6-14/h2-4,7-8,11-12,14H,5-6,9H2,1H3,(H2,24,27)/t22-/m0/s1 LMBVCDFFMJGDCH-QFIPXVFZSA-N 365596 US9868738, Example 32 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974286 402362501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722659 COc1cccc2cc([nH]c12)-c1csc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1 365597 US9868738, Example 33 Beta-secretase 1 Homo sapiens 38.2 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974298 402362502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722661 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cccc(c1)-c1nnco1 InChI=1S/C23H20N6OS/c1-23(9-18-17(20(24)28-23)10-25-21(27-18)13-5-6-13)19-8-16(11-31-19)14-3-2-4-15(7-14)22-29-26-12-30-22/h2-4,7-8,10-13H,5-6,9H2,1H3,(H2,24,28)/t23-/m0/s1 LTQVPMLCNOGJQO-QHCPKHFHSA-N 365598 US9868738, Example 34 Beta-secretase 1 Homo sapiens 85.0 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974292 402362503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722663 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cncc(c1)C#N InChI=1S/C21H18N6S/c1-21(18-5-15(11-28-18)14-4-12(7-22)8-24-9-14)6-17-16(19(23)27-21)10-25-20(26-17)13-2-3-13/h4-5,8-11,13H,2-3,6H2,1H3,(H2,23,27)/t21-/m0/s1 BARATIJUMCGCHN-NRFANRHFSA-N 365599 US9868738, Example 35 Beta-secretase 1 Homo sapiens 224 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974593 402362504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722665 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1sc(cc1Cl)-c1cccc(c1)C#N InChI=1S/C22H18ClN5S/c1-22(9-17-15(20(25)28-22)11-26-21(27-17)13-5-6-13)19-16(23)8-18(29-19)14-4-2-3-12(7-14)10-24/h2-4,7-8,11,13H,5-6,9H2,1H3,(H2,25,28)/t22-/m0/s1 VNAFEFHQFNPWRI-QFIPXVFZSA-N 365600 US9868738, Example 36 Beta-secretase 1 Homo sapiens 48.9 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974598 402362505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722667 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1sc(cc1Cl)-c1cncc(c1)C#N InChI=1S/C21H17ClN6S/c1-21(6-16-14(19(24)28-21)10-26-20(27-16)12-2-3-12)18-15(22)5-17(29-18)13-4-11(7-23)8-25-9-13/h4-5,8-10,12H,2-3,6H2,1H3,(H2,24,28)/t21-/m0/s1 WQJVSFCBYZGCDS-NRFANRHFSA-N 365601 US9868738, Example 37 Beta-secretase 1 Homo sapiens 94.7 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974597 402362506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722669 COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1 365602 US9868738, Example 38 Beta-secretase 1 Homo sapiens 22.3 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974601 402362507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722671 COc1cccc2cc([nH]c12)-c1csc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C(F)(F)F 365603 US9868738, Example 39 Beta-secretase 1 Homo sapiens 28.9 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974621 402362508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722673 C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C20H14F3N5S/c1-19(16-6-13(10-29-16)12-4-2-3-11(5-12)8-24)7-15-14(17(25)28-19)9-26-18(27-15)20(21,22)23/h2-6,9-10H,7H2,1H3,(H2,25,28)/t19-/m0/s1 GHFPUAFTSKQYTD-IBGZPJMESA-N 365604 US9868738, Example 40 Beta-secretase 1 Homo sapiens 58.2 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365604&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974616 402362509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722675 C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cncc(c1)C#N InChI=1S/C19H13F3N6S/c1-18(15-3-12(9-29-15)11-2-10(5-23)6-25-7-11)4-14-13(16(24)28-18)8-26-17(27-14)19(20,21)22/h2-3,6-9H,4H2,1H3,(H2,24,28)/t18-/m0/s1 WIKWDOXQOJBAKW-SFHVURJKSA-N 365605 US9868738, Example 41 Beta-secretase 1 Homo sapiens 208 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974625 402362510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722677 C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)-c1nnco1 InChI=1S/C21H15F3N6OS/c1-20(7-15-14(17(25)29-20)8-26-19(28-15)21(22,23)24)16-6-13(9-32-16)11-3-2-4-12(5-11)18-30-27-10-31-18/h2-6,8-10H,7H2,1H3,(H2,25,29)/t20-/m0/s1 YNYMGCDPSKCFLX-FQEVSTJZSA-N 365606 US9868738, Example 42 Beta-secretase 1 Homo sapiens 49.6 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365606&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974617 402362511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722679 C[C@]1(Cc2ncncc2C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H16F2N6O/c1-20(7-17-13(18(23)28-20)9-24-10-26-17)14-6-12(3-4-15(14)22)27-19(29)16-5-2-11(21)8-25-16/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,27,29)/t20-/m0/s1 BRCYVPIMBJJFFF-FQEVSTJZSA-N 365607 US9868738, Example 43 Beta-secretase 1 Homo sapiens 9.40 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118958876 402362512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722681 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C21H18F2N6O/c1-11-25-10-14-18(27-11)8-21(2,29-19(14)24)15-7-13(4-5-16(15)23)28-20(30)17-6-3-12(22)9-26-17/h3-7,9-10H,8H2,1-2H3,(H2,24,29)(H,28,30)/t21-/m0/s1 IZQZMAIUEUQWQB-NRFANRHFSA-N 365608 US9868738, Example 44 Beta-secretase 1 Homo sapiens 16.8 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974575 402362513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722683 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H18ClFN6O/c1-11-25-10-14-18(27-11)8-21(2,29-19(14)24)15-7-13(4-5-16(15)23)28-20(30)17-6-3-12(22)9-26-17/h3-7,9-10H,8H2,1-2H3,(H2,24,29)(H,28,30)/t21-/m0/s1 BSODCMDQTYPPST-NRFANRHFSA-N 365609 US9868738, Example 45 Beta-secretase 1 Homo sapiens 10.4 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974573 402362514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722685 Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C22H18F4N6O/c1-11-28-10-14-18(30-11)8-21(2,32-19(14)27)15-7-13(4-5-16(15)23)31-20(33)17-6-3-12(9-29-17)22(24,25)26/h3-7,9-10H,8H2,1-2H3,(H2,27,32)(H,31,33)/t21-/m0/s1 ZPVMNKWWOLVDIJ-NRFANRHFSA-N 365610 US9868738, Example 46 Beta-secretase 1 Homo sapiens 18.1 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365610&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974574 402362515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722687 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cc2nc(C)ncc2C(=N)N1 InChI=1S/C22H21FN6O2/c1-12-25-11-15-19(27-12)9-22(2,29-20(15)24)16-8-13(4-6-17(16)23)28-21(30)18-7-5-14(31-3)10-26-18/h4-8,10-11H,9H2,1-3H3,(H2,24,29)(H,28,30)/t22-/m0/s1 RYNQXOFNKMCIHH-QFIPXVFZSA-N 365611 US9868738, Example 47 Beta-secretase 1 Homo sapiens 15.4 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365611&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974572 402362516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722689 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C23H20F2N6O/c1-23(9-19-15(20(26)31-23)11-28-21(30-19)12-2-3-12)16-8-14(5-6-17(16)25)29-22(32)18-7-4-13(24)10-27-18/h4-8,10-12H,2-3,9H2,1H3,(H2,26,31)(H,29,32)/t23-/m0/s1 SRAHWVQYJCESBV-QHCPKHFHSA-N 365612 US9868738, Example 48 Beta-secretase 1 Homo sapiens 13.1 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974299 402362517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722691 C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C24H20F4N6O/c1-23(9-19-15(20(29)34-23)11-31-21(33-19)12-2-3-12)16-8-14(5-6-17(16)25)32-22(35)18-7-4-13(10-30-18)24(26,27)28/h4-8,10-12H,2-3,9H2,1H3,(H2,29,34)(H,32,35)/t23-/m0/s1 XRNPZCMGRHPPMX-QHCPKHFHSA-N 365613 US9868738, Example 49 Beta-secretase 1 Homo sapiens 20.5 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365613&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974303 402362518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722693 Cc1ncc2C(=N)N[C@](Cc2n1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F3N7O/c1-11-28-10-14-18(30-11)7-22(21(24)25,32-19(14)27)15-6-13(3-4-16(15)23)31-20(33)17-5-2-12(8-26)9-29-17/h2-6,9-10,21H,7H2,1H3,(H2,27,32)(H,31,33)/t22-/m0/s1 WASFOMPLLYPXNY-QFIPXVFZSA-N 365614 US9868738, Example 50 Beta-secretase 1 Homo sapiens 7.10 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365614&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974300 402362519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 722695 C[C@]1(Cc2nccnc2C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H16FN7O/c1-21(9-17-18(19(24)29-21)26-7-6-25-17)14-8-13(3-4-15(14)22)28-20(30)16-5-2-12(10-23)11-27-16/h2-8,11H,9H2,1H3,(H2,24,29)(H,28,30)/t21-/m0/s1 MOKMVNJIQFEFGZ-NRFANRHFSA-N 365615 US9868738, Example 51 Beta-secretase 1 Homo sapiens 62.7 US Patent 10.7270/Q24T6MPT aid1797990 US9868738 Liu, K; He, S; Cumming, JN; Stamford, AW Merck Sharp & Dohme Corp http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=365615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=365615&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974304 402362520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888915 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmc.2017.05.043 10.7270/Q25Q4ZK4 28587871 Sameem, B; Saeedi, M; Mahdavi, M; Nadri, H; Moghadam, FH; Edraki, N; Khan, MI; Amini, M Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888802 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 CQTBDEGWLSDJEP-JMAXQNTPSA-N 50100436 CHEMBL412768::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149643 103997206 CHEMBL412768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888807 CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(C)c1O)C(O)=O InChI=1S/C27H38O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18,28-29H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14- ASCPFLQSHKBTRD-FWXQPYBBSA-N 50267969 Sargahydroquinoic Acid Beta-secretase 1 Homo sapiens 4400 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10202734 404858703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888808 CC(C)=CCC\C(=C\CC\C(C)=C\CCC1(C)Oc2c(C)cc(O)cc2C=C1)C(O)=O InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30)/b20-11+,22-13- QKXAGRZCXAYBQX-WDZAAMDOSA-N 50267968 CHEMBL4085945 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10455044 404858702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888809 CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C=C(C)C1=O)C(O)=O InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14- IKUIJYZNRMQNBM-FWXQPYBBSA-N 50267967 CHEMBL4064412 Beta-secretase 1 Homo sapiens 12100 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9802458 404858701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888810 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,3LM5,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888811 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 CQTBDEGWLSDJEP-JMAXQNTPSA-N 50100436 CHEMBL412768::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16149643 103997206 CHEMBL412768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888812 CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(C)c1O)C(O)=O InChI=1S/C27H38O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18,28-29H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14- ASCPFLQSHKBTRD-FWXQPYBBSA-N 50267969 Sargahydroquinoic Acid Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10202734 404858703 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888813 CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C=C(C)C1=O)C(O)=O InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14- IKUIJYZNRMQNBM-FWXQPYBBSA-N 50267967 CHEMBL4064412 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9802458 404858701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50888814 CC(C)=CCC\C(=C\CC\C(C)=C\CCC1(C)Oc2c(C)cc(O)cc2C=C1)C(O)=O InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30)/b20-11+,22-13- QKXAGRZCXAYBQX-WDZAAMDOSA-N 50267968 CHEMBL4085945 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.bmc.2017.05.033 10.7270/Q2K076RW 28576634 Seong, SH; Ali, MY; Kim, HR; Jung, HA; Choi, JS Pukyong National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10455044 404858702 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777656 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)CC[C@H]1OC InChI=1S/C25H28N6O2/c1-3-17-12-24(8-7-20(17)33-2)13-18-6-5-16(14-26)11-19(18)25(24)22(32)31(23(27)30-25)15-21-28-9-4-10-29-21/h4-6,9-11,17,20H,3,7-8,12-13,15H2,1-2H3,(H2,27,30)/t17-,20-,24-,25-/m1/s1 SRHMVRLLYWIEOI-POBVKMQOSA-N 259488 US9526727, 1::US9949975, Example 1 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=259488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=259488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727146 350084182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777657 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)CC[C@H]1OC InChI=1S/C26H34N4O3/c1-3-19-13-25(9-6-22(19)32-2)14-20-5-4-18(15-27)12-21(20)26(25)23(31)30(24(28)29-26)16-17-7-10-33-11-8-17/h4-5,12,17,19,22H,3,6-11,13-14,16H2,1-2H3,(H2,28,29)/t19-,22-,25-,26-/m1/s1 UJANDVCNDHMIFD-CMUPFOSCSA-N 150695 US8981112, 2::US9526727, 2::US9949975, Example 2 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727147 252824946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777658 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1OC InChI=1S/C24H31FN4O2/c1-5-16-11-23(9-8-19(16)31-4)12-17-7-6-15(13-26)10-18(17)24(23)20(30)29(21(27)28-24)14-22(2,3)25/h6-7,10,16,19H,5,8-9,11-12,14H2,1-4H3,(H2,27,28)/t16-,19-,23-,24-/m1/s1 SQCFBTIRDMHJJB-MVPFYTHOSA-N 150696 US8981112, 3::US9526727, 3::US9949975, Example 3 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879584 252824947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777659 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCCCC3)C2=O)C#N)CC[C@H]1OC InChI=1S/C27H35FN4O2/c1-3-19-14-25(12-9-22(19)34-2)15-20-8-7-18(16-29)13-21(20)27(25)23(33)32(24(30)31-27)17-26(28)10-5-4-6-11-26/h7-8,13,19,22H,3-6,9-12,14-15,17H2,1-2H3,(H2,30,31)/t19-,22-,25-,27-/m1/s1 MSCFHZQTZHCGEH-SBVAYOBESA-N 389136 US9949975, Example 4 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=389136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=389136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879620 404957768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777660 CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22NC(=S)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC InChI=1S/C25H31N3O3S/c1-3-17-12-24(9-8-21(17)30-2)13-18-7-6-16(14-26)11-20(18)25(24)22(29)28(23(32)27-25)15-19-5-4-10-31-19/h6-7,11,17,19,21H,3-5,8-10,12-13,15H2,1-2H3,(H,27,32)/t17-,19+,21-,24-,25+/m0/s1 HTPFPRVDRUGUKK-WSXGSKLPSA-N 389137 US9949975, Example 5 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=389137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=389137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879623 404957769 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777661 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H26N6O2/c1-15-11-23(7-6-19(15)32-2)12-17-5-4-16(13-25)10-18(17)24(23)21(31)30(22(26)29-24)14-20-27-8-3-9-28-20/h3-5,8-10,15,19H,6-7,11-12,14H2,1-2H3,(H2,26,29)/t15-,19-,23-,24+/m0/s1 TXIYYIMILCUFDC-VYTCSICCSA-N 150699 US8981112, 6::US9526727, 6::US9949975, Example 6 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879583 252824950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777662 COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1)C#N InChI=1S/C22H28N4O3/c1-14-11-21(7-6-18(14)29-3)12-16-5-4-15(13-23)10-17(16)22(21)19(27)26(8-9-28-2)20(24)25-22/h4-5,10,14,18H,6-9,11-12H2,1-3H3,(H2,24,25)/t14-,18-,21-,22+/m0/s1 OVRSLXJBYXZOSU-RIVOMEERSA-N 150700 US8981112, 7::US9526727, 7::US9949975, Example 7 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879582 252824951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777663 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H30N4O3/c1-15-9-23(7-6-19(15)30-3)10-17-5-4-16(11-25)8-18(17)24(23)20(29)28(21(26)27-24)12-22(2)13-31-14-22/h4-5,8,15,19H,6-7,9-10,12-14H2,1-3H3,(H2,26,27)/t15-,19-,23-,24+/m0/s1 QXXFWNTWBZPZPY-VYTCSICCSA-N 150701 US8981112, 8::US9526727, 8::US9949975, Example 8 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879587 252824952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777664 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H26N6O2/c1-15-10-23(7-5-20(15)32-2)11-17-4-3-16(12-25)9-19(17)24(23)21(31)30(22(26)29-24)13-18-6-8-27-14-28-18/h3-4,6,8-9,14-15,20H,5,7,10-11,13H2,1-2H3,(H2,26,29)/t15-,20-,23-,24+/m0/s1 NAZOMBGGSSUBEQ-SOPLCPCWSA-N 150702 US8981112, 9::US9526727, 9::US9949975, Example 9 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879593 252824953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777665 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncc(F)cn3)C2=O)C#N)C[C@H]1C InChI=1S/C25H27FN6O2/c1-14-7-24(8-15(2)21(14)34-3)9-17-5-4-16(10-27)6-19(17)25(24)22(33)32(23(28)31-25)13-20-29-11-18(26)12-30-20/h4-6,11-12,14-15,21H,7-9,13H2,1-3H3,(H2,28,31)/t14-,15+,21+,24+,25-/m1/s1 FGMJWLOJKFMCPL-MJXPOCGOSA-N 150703 US8981112, 10::US9526727, 10::US9949975, Example 10 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89879629 252824954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777666 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-8-24(9-16(2)20(15)31-4)10-18-6-5-17(11-26)7-19(18)25(24)21(30)29(22(27)28-25)12-23(3)13-32-14-23/h5-7,15-16,20H,8-10,12-14H2,1-4H3,(H2,27,28)/t15-,16+,20+,24+,25-/m1/s1 COAXYAPFKPSVLK-QDOHHUBKSA-N 150704 US8981112, 11::US9526727, 11::US9949975, Example 11 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727378 252824955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777667 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C23H28N4O3/c1-13-7-22(8-14(2)19(13)29-3)9-16-5-4-15(10-24)6-18(16)23(22)20(28)27(21(25)26-23)17-11-30-12-17/h4-6,13-14,17,19H,7-9,11-12H2,1-3H3,(H2,25,26)/t13-,14+,19+,22+,23-/m1/s1 ITJCNBXOVGQPSD-PIXIMPLDSA-N 150705 US8981112, 12::US9526727, 12::US9949975, Example 12 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727379 252824956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777668 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C24H30N4O3/c1-14-7-23(8-15(2)20(14)30-3)9-18-5-4-16(10-25)6-19(18)24(23)21(29)28(22(26)27-24)11-17-12-31-13-17/h4-6,14-15,17,20H,7-9,11-13H2,1-3H3,(H2,26,27)/t14-,15+,20+,23+,24-/m1/s1 OHZNLQUPCCOTBQ-MAONGBLGSA-N 150706 US8981112, 13::US9526727, 13::US9949975, Example 13 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727380 252824957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777669 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1 RRWJBJFMOGIAEN-HVVJEGBZSA-N 150707 US8981112, 14::US9526727, 14::US9949975, Example 14 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727381 252824958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777670 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25+/m0/s1 RRWJBJFMOGIAEN-OIIFEQBSSA-N 150708 US8981112, 15::US9526727, 15::US9949975, Example 15 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727479 252824959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777671 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)C[C@H]1C InChI=1S/C26H34N4O3/c1-16-11-25(12-17(2)22(16)32-3)13-20-5-4-19(14-27)10-21(20)26(25)23(31)30(24(28)29-26)15-18-6-8-33-9-7-18/h4-5,10,16-18,22H,6-9,11-13,15H2,1-3H3,(H2,28,29)/t16-,17+,22+,25+,26-/m1/s1 RZZSRVAOSSMTRH-WKOBYHNDSA-N 150709 US8981112, 16::US9526727, 16::US9949975, Example 16 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727480 252824960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777672 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H]1C InChI=1S/C24H31FN4O2/c1-14-9-23(10-15(2)19(14)31-5)11-17-7-6-16(12-26)8-18(17)24(23)20(30)29(21(27)28-24)13-22(3,4)25/h6-8,14-15,19H,9-11,13H2,1-5H3,(H2,27,28)/t14-,15+,19+,23+,24-/m1/s1 HCGUDALTEALZLY-QSVRWKSBSA-N 150710 US8981112, 17::US9526727, 17::US9949975, Example 17 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727481 252824961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777673 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCO3)C2=O)C#N)C[C@H]1C InChI=1S/C24H30N4O3/c1-14-9-23(10-15(2)20(14)30-3)11-17-5-4-16(12-25)8-19(17)24(23)21(29)28(22(26)27-24)13-18-6-7-31-18/h4-5,8,14-15,18,20H,6-7,9-11,13H2,1-3H3,(H2,26,27)/t14-,15+,18-,20+,23+,24+/m0/s1 LJFKSSWZKKREPW-RKSTXIPJSA-N 150711 US8981112, 18::US9526727, 18::US9949975, Example 18 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727482 252824962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777674 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC3COC3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O3/c1-15-9-24(10-16(2)21(15)31-3)11-19-5-4-17(12-26)8-20(19)25(24)22(30)29(23(27)28-25)7-6-18-13-32-14-18/h4-5,8,15-16,18,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,21+,24+,25-/m1/s1 XKBCAKDBQRZNQK-XJZPSQEMSA-N 150712 US8981112, 19::US9526727, 19::US9949975, Example 19 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150712&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727483 252824963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777675 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3COCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1 CYSJYHKFWGTAAK-HVVJEGBZSA-N 150714 US8981112, 21::US9526727, 21::US9949975, Example 21 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727590 252824965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777676 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3COCCO3)C2=O)C#N)C[C@H]1C InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25+/m0/s1 CYSJYHKFWGTAAK-OIIFEQBSSA-N 150715 US8981112, 22::US9526727, 22::US9949975, Example 22 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727589 252824966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777677 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@H]1C InChI=1S/C26H33FN4O3/c1-16-11-24(12-17(2)21(16)33-3)13-19-5-4-18(14-28)10-20(19)26(24)22(32)31(23(29)30-26)15-25(27)6-8-34-9-7-25/h4-5,10,16-17,21H,6-9,11-13,15H2,1-3H3,(H2,29,30)/t16-,17+,21+,24+,26-/m1/s1 XPTJAOBXRHUNIM-PGRKHRFDSA-N 150716 US8981112, 23::US9526727, 23::US9949975, Example 23 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727591 252824967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777678 CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@H]1C InChI=1S/C25H28N6O2/c1-15-9-24(10-16(2)21(15)33-3)11-18-5-4-17(12-26)8-20(18)25(24)22(32)31(23(27)30-25)13-19-6-7-28-14-29-19/h4-8,14-16,21H,9-11,13H2,1-3H3,(H2,27,30)/t15-,16+,21+,24+,25-/m1/s1 LTLVFITWDXOWJL-XJZPSQEMSA-N 150717 US8981112, 24::US9526727, 24::US9949975, Example 24 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727592 252824968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777679 CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1OC InChI=1S/C25H33FN4O2/c1-6-17-11-24(10-15(2)20(17)32-5)12-18-8-7-16(13-27)9-19(18)25(24)21(31)30(22(28)29-25)14-23(3,4)26/h7-9,15,17,20H,6,10-12,14H2,1-5H3,(H2,28,29)/t15-,17+,20+,24+,25+/m0/s1 XXMUGULHTPQVQB-SWWUJTLOSA-N 150719 US8981112, 26::US9526727, 26::US9949975, Example 26 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727700 252824970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 777680 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@@H]1C InChI=1S/C24H30N4O4/c1-15-10-23(6-5-20(15)30-2)11-17-4-3-16(12-25)9-19(17)24(23)21(29)28(22(26)27-24)13-18-14-31-7-8-32-18/h3-4,9,15,18,20H,5-8,10-11,13-14H2,1-2H3,(H2,26,27)/t15-,18?,20-,23-,24+/m0/s1 WOUFNQIOIHETNJ-GAGWAJJTSA-N 150720 US8981112, 27::US9526727, 27::US9949975, Example 27 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q25D8V5X aid1798773 US9949975 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Vitae Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71727701 252824971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50831963 COC(=O)[C@@H]1O[C@@H]2O[C@H]1C(=S)N(Cc1ccccc1)[C@H]2Cc1ccccc1 InChI=1S/C21H21NO4S/c1-24-20(23)18-17-19(27)22(13-15-10-6-3-7-11-15)16(21(25-17)26-18)12-14-8-4-2-5-9-14/h2-11,16-18,21H,12-13H2,1H3/t16-,17+,18+,21-/m0/s1 HGVYFGCVHYTRII-OOSNJVJTSA-N 50260163 CHEMBL4094980 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.bmc.2017.03.030 10.7270/Q2BG2RGP 28359674 Innocenti, R; Lenci, E; Menchi, G; Pupi, A; Trabocchi, A University of Florence http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653098 404340043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826768 Fc1ccc2c(c[nH]c2c1)-c1ncc([nH]1)-c1cccc(NC(=O)c2cccnc2)c1 InChI=1S/C23H16FN5O/c24-16-6-7-18-19(12-26-20(18)10-16)22-27-13-21(29-22)14-3-1-5-17(9-14)28-23(30)15-4-2-8-25-11-15/h1-13,26H,(H,27,29)(H,28,30) VSZDISKVTQNKQF-UHFFFAOYSA-N 50259797 CHEMBL4074001 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137641223 404339749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826779 Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(OC(F)(F)F)ccc12 InChI=1S/C27H17F4N5O/c28-18-6-4-15(5-7-18)23-13-33-25(35-23)17-3-1-2-16(10-17)24-14-34-26(36-24)21-12-32-22-11-19(8-9-20(21)22)37-27(29,30)31/h1-14,32H,(H,33,35)(H,34,36) QKJJRVWABJXAAT-UHFFFAOYSA-N 50259798 CHEMBL4095483 Beta-secretase 1 Homo sapiens 670 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137654547 404339750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826783 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(OC(F)(F)F)ccc12 InChI=1S/C25H15F4N5O/c26-15-4-7-19-21(9-15)33-23(32-19)14-3-1-2-13(8-14)22-12-31-24(34-22)18-11-30-20-10-16(5-6-17(18)20)35-25(27,28)29/h1-12,30H,(H,31,34)(H,32,33) LQXJWGPGXHISOC-UHFFFAOYSA-N 50259799 CHEMBL4078427 Beta-secretase 1 Homo sapiens 290 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651254 404339751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826801 O=C(Nc1ccncc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12 InChI=1S/C23H17N5O/c29-23(27-17-8-10-24-11-9-17)16-5-3-4-15(12-16)21-14-26-22(28-21)19-13-25-20-7-2-1-6-18(19)20/h1-14,25H,(H,26,28)(H,24,27,29) MHYVUOOIURXBCN-UHFFFAOYSA-N 50259802 CHEMBL4071284 Beta-secretase 1 Homo sapiens 660 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638219 404339754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826808 Fc1ccc(NC(=O)c2cccc(c2)-c2cnc([nH]2)-c2c[nH]c3ccccc23)cc1 InChI=1S/C24H17FN4O/c25-17-8-10-18(11-9-17)28-24(30)16-5-3-4-15(12-16)22-14-27-23(29-22)20-13-26-21-7-2-1-6-19(20)21/h1-14,26H,(H,27,29)(H,28,30) SFQDRNVLKSMOHW-UHFFFAOYSA-N 50259801 CHEMBL4092083 Beta-secretase 1 Homo sapiens 1330 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137655111 404339753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826810 O=C(Nc1cccnc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12 InChI=1S/C23H17N5O/c29-23(27-17-7-4-10-24-12-17)16-6-3-5-15(11-16)21-14-26-22(28-21)19-13-25-20-9-2-1-8-18(19)20/h1-14,25H,(H,26,28)(H,27,29) UFJMXZSKDQFGNB-UHFFFAOYSA-N 50259805 CHEMBL4065393 Beta-secretase 1 Homo sapiens 880 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137633338 404339757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826812 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12 InChI=1S/C24H15F2N5/c25-15-4-6-17-18(11-27-20(17)9-15)24-28-12-22(31-24)13-2-1-3-14(8-13)23-29-19-7-5-16(26)10-21(19)30-23/h1-12,27H,(H,28,31)(H,29,30) OJIWNXRQHDHGKU-UHFFFAOYSA-N 50259804 CHEMBL4075051 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651107 404339756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826814 Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12 InChI=1S/C26H17F2N5/c27-18-6-4-15(5-7-18)23-13-30-25(32-23)17-3-1-2-16(10-17)24-14-31-26(33-24)21-12-29-22-11-19(28)8-9-20(21)22/h1-14,29H,(H,30,32)(H,31,33) BITOXBRSWUNVGQ-UHFFFAOYSA-N 50259806 CHEMBL4100768 Beta-secretase 1 Homo sapiens 75 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137662155 404339758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826815 O=C(Nc1ccccc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12 InChI=1S/C24H18N4O/c29-24(27-18-9-2-1-3-10-18)17-8-6-7-16(13-17)22-15-26-23(28-22)20-14-25-21-12-5-4-11-19(20)21/h1-15,25H,(H,26,28)(H,27,29) MDPUOISWUZKXMJ-UHFFFAOYSA-N 50259800 CHEMBL4062635 Beta-secretase 1 Homo sapiens 1210 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637333 404339752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826816 O=C(Nc1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12)c1cccnc1 InChI=1S/C23H17N5O/c29-23(16-6-4-10-24-12-16)27-17-7-3-5-15(11-17)21-14-26-22(28-21)19-13-25-20-9-2-1-8-18(19)20/h1-14,25H,(H,26,28)(H,27,29) ZMWHRFKZIOKHMY-UHFFFAOYSA-N 50259803 CHEMBL4093064 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653970 404339755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827708 CCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C14H19F2N3S/c1-3-18-8-9-6-10(12(16)7-11(9)15)14(2)4-5-20-13(17)19-14/h6-7,18H,3-5,8H2,1-2H3,(H2,17,19)/t14-/m0/s1 PKEKOGWSIXFEBA-AWEZNQCLSA-N 50259963 CHEMBL4061944 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637780 404339859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827715 COCCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C16H23F2N3OS/c1-16(4-7-23-15(19)21-16)12-8-11(13(17)9-14(12)18)10-20-5-3-6-22-2/h8-9,20H,3-7,10H2,1-2H3,(H2,19,21)/t16-/m0/s1 GRUDLDUJVATURL-INIZCTEOSA-N 50259967 CHEMBL4064708 Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137635828 404339863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827726 CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1 JMOHXAUCSPMQGB-HNNXBMFYSA-N 50259954 CHEMBL4094377 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653545 404339852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827730 C[C@]1(CCSC(N)=N1)c1cc(CNCC2CC2)c(F)cc1F InChI=1S/C16H21F2N3S/c1-16(4-5-22-15(19)21-16)12-6-11(13(17)7-14(12)18)9-20-8-10-2-3-10/h6-7,10,20H,2-5,8-9H2,1H3,(H2,19,21)/t16-/m0/s1 YWBPXKGASACQGY-INIZCTEOSA-N 50259971 CHEMBL4064148 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637375 404339867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827731 C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F InChI=1S/C16H19F4N3S/c1-15(4-5-24-14(21)23-15)10-6-9(11(17)7-12(10)18)8-22-16(2-3-16)13(19)20/h6-7,13,22H,2-5,8H2,1H3,(H2,21,23)/t15-/m0/s1 BZFHYEXJWOLTQN-HNNXBMFYSA-N 50259959 CHEMBL4062728 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137634377 404339855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827734 C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F InChI=1S/C16H18F2N4S/c1-15(4-5-23-14(20)22-15)11-6-10(12(17)7-13(11)18)8-21-16(9-19)2-3-16/h6-7,21H,2-5,8H2,1H3,(H2,20,22)/t15-/m0/s1 YHJPABZBDBCJQX-HNNXBMFYSA-N 50259960 CHEMBL4077211 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651451 404339856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827825 CN(C)Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C14H19F2N3S/c1-14(4-5-20-13(17)18-14)10-6-9(8-19(2)3)11(15)7-12(10)16/h6-7H,4-5,8H2,1-3H3,(H2,17,18)/t14-/m0/s1 COYGMPIGIAMZNG-AWEZNQCLSA-N 50259965 CHEMBL4100140 Beta-secretase 1 Homo sapiens 50900 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137662127 404339861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827908 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1 KXRWMDHPUURSND-USBNGQNGSA-N 160666 US9045498, 8 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74B 5T1W 86762648 295369482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827910 C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1 ZQULGQNNJUBPOZ-PSLIRLAXSA-N 50259962 CHEMBL4088234 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search P6M 5TFU 123132915 404339858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827915 C[C@]1(CCSC(N)=N1)c1cc(CNC2CC2)c(F)cc1F InChI=1S/C15H19F2N3S/c1-15(4-5-21-14(18)20-15)11-6-9(8-19-10-2-3-10)12(16)7-13(11)17/h6-7,10,19H,2-5,8H2,1H3,(H2,18,20)/t15-/m0/s1 ORANLJDZFUCKMO-HNNXBMFYSA-N 50259957 CHEMBL4085715 Beta-secretase 1 Homo sapiens 20600 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137641491 404339854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827916 C[C@]1(CCSC(N)=N1)c1cc(CNCCC(F)(F)F)c(F)cc1F InChI=1S/C15H18F5N3S/c1-14(3-5-24-13(21)23-14)10-6-9(11(16)7-12(10)17)8-22-4-2-15(18,19)20/h6-7,22H,2-5,8H2,1H3,(H2,21,23)/t14-/m0/s1 DCYWNJDSKJXMKI-AWEZNQCLSA-N 50259955 CHEMBL4084170 Beta-secretase 1 Homo sapiens 54700 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646316 404339853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827920 C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C14H16F5N3S/c1-13(2-3-23-12(20)22-13)9-4-8(10(15)5-11(9)16)6-21-7-14(17,18)19/h4-5,21H,2-3,6-7H2,1H3,(H2,20,22)/t13-/m0/s1 OAANHBKIQRWYQJ-ZDUSSCGKSA-N 50259949 CHEMBL4086633 Beta-secretase 1 Homo sapiens 1310 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137643369 404339851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827922 C[C@]1(CCSC(N)=N1)c1cc(CNC23CC(C2)C3)c(F)cc1F InChI=1S/C17H21F2N3S/c1-16(2-3-23-15(20)22-16)12-4-11(13(18)5-14(12)19)9-21-17-6-10(7-17)8-17/h4-5,10,21H,2-3,6-9H2,1H3,(H2,20,22)/t10?,16-,17?/m0/s1 TYGINIZGIMDBFT-KJWVSFLRSA-N 50259974 CHEMBL4102593 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137656577 404339869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827923 COC[C@@H](C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C16H23F2N3OS/c1-10(9-22-3)20-8-11-6-12(14(18)7-13(11)17)16(2)4-5-23-15(19)21-16/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,19,21)/t10-,16+/m1/s1 HKFFPSFZJNYNQZ-HWPZZCPQSA-N 50259968 CHEMBL4084653 Beta-secretase 1 Homo sapiens 4180 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646126 404339864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827955 C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1 XKONRMXLBXCJAM-AWEZNQCLSA-N 50259973 CHEMBL4098403 Beta-secretase 1 Homo sapiens 69 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search P6U 5T1U,5TFT 123132907 404339868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827957 C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F InChI=1S/C15H18F5N3S/c1-8(15(18,19)20)22-7-9-5-10(12(17)6-11(9)16)14(2)3-4-24-13(21)23-14/h5-6,8,22H,3-4,7H2,1-2H3,(H2,21,23)/t8-,14+/m1/s1 STUTWXRFWQRASH-CLAHSXSESA-N 50259970 CHEMBL4061602 Beta-secretase 1 Homo sapiens 1970 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137635011 404339866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827958 CN(Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)CC(F)(F)F InChI=1S/C15H18F5N3S/c1-14(3-4-24-13(21)22-14)10-5-9(11(16)6-12(10)17)7-23(2)8-15(18,19)20/h5-6H,3-4,7-8H2,1-2H3,(H2,21,22)/t14-/m0/s1 RHXHFXVYZBDQQN-AWEZNQCLSA-N 50259969 CHEMBL4104527 Beta-secretase 1 Homo sapiens 20200 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137657646 404339865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827962 COCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C15H21F2N3OS/c1-15(3-6-22-14(18)20-15)11-7-10(9-19-4-5-21-2)12(16)8-13(11)17/h7-8,19H,3-6,9H2,1-2H3,(H2,18,20)/t15-/m0/s1 MWGLFDPAWCGVCN-HNNXBMFYSA-N 50259966 CHEMBL4092406 Beta-secretase 1 Homo sapiens 8200 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137652983 404339862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827979 Cc1ccc(NCc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)nc1 InChI=1S/C18H20F2N4S/c1-11-3-4-16(22-9-11)23-10-12-7-13(15(20)8-14(12)19)18(2)5-6-25-17(21)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,24)(H,22,23)/t18-/m0/s1 ZZYSRRFOAYTMKM-SFHVURJKSA-N 50259976 CHEMBL4091480 Beta-secretase 1 Homo sapiens 1350 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137654633 404339871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827982 CO[C@@H]1CCN(Cc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)C1 InChI=1S/C17H23F2N3OS/c1-17(4-6-24-16(20)21-17)13-7-11(14(18)8-15(13)19)9-22-5-3-12(10-22)23-2/h7-8,12H,3-6,9-10H2,1-2H3,(H2,20,21)/t12-,17+/m1/s1 FSKVGYAMIKBJFU-PXAZEXFGSA-N 50259975 CHEMBL4073296 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137640486 404339870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827987 C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)F)c(F)cc1F InChI=1S/C14H17F4N3S/c1-14(2-3-22-13(19)21-14)9-4-8(6-20-7-12(17)18)10(15)5-11(9)16/h4-5,12,20H,2-3,6-7H2,1H3,(H2,19,21)/t14-/m0/s1 FYKSUJGCXDMRJR-AWEZNQCLSA-N 50259950 CHEMBL4066885 Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137633017 104109945 ZINC40408213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827991 C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F InChI=1S/C16H18F5N3OS/c1-14(2-3-26-13(22)24-14)10-4-9(11(17)5-12(10)18)6-23-15(7-25-8-15)16(19,20)21/h4-5,23H,2-3,6-8H2,1H3,(H2,22,24)/t14-/m0/s1 QAKZCMKEOGZLLP-AWEZNQCLSA-N 50259961 CHEMBL4080380 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137645221 404339857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827992 CC(C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C15H21F2N3S/c1-9(2)19-8-10-6-11(13(17)7-12(10)16)15(3)4-5-21-14(18)20-15/h6-7,9,19H,4-5,8H2,1-3H3,(H2,18,20)/t15-/m0/s1 SLAATTPDVKCXEQ-HNNXBMFYSA-N 50259964 CHEMBL4083698 Beta-secretase 1 Homo sapiens 15500 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137648425 404339860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50972754 COC(=O)c1cc(C)nc2sc3cccc(OC)c3c12 InChI=1S/C15H13NO3S/c1-8-7-9(15(17)19-3)12-13-10(18-2)5-4-6-11(13)20-14(12)16-8/h4-7H,1-3H3 KTXZNILFKIOHIZ-UHFFFAOYSA-N 50276879 CHEMBL4177357 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1016/j.ejmech.2017.07.038 10.7270/Q2C24ZZC 28759875 Keri, RS; Chand, K; Budagumpi, S; Balappa Somappa, S; Patil, SA; Nagaraja, BM Jain University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276879&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 12120708 405257733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50973581 COc1ccc2sc(N)cc2c1 InChI=1S/C9H9NOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,10H2,1H3 STPFPLZASWBIQN-UHFFFAOYSA-N 50276891 CHEMBL4176954 Beta-secretase 1 Homo sapiens 2140 ChEMBL 10.1016/j.ejmech.2017.07.038 10.7270/Q2C24ZZC 28759875 Keri, RS; Chand, K; Budagumpi, S; Balappa Somappa, S; Patil, SA; Nagaraja, BM Jain University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67305134 405257741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50973693 COC(=O)c1cc(C)c2c(n1)sc1ccc(OC)cc21 InChI=1S/C15H13NO3S/c1-8-6-11(15(17)19-3)16-14-13(8)10-7-9(18-2)4-5-12(10)20-14/h4-7H,1-3H3 RUYJUTZRMMNFFW-UHFFFAOYSA-N 50276902 CHEMBL4169090 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1016/j.ejmech.2017.07.038 10.7270/Q2C24ZZC 28759875 Keri, RS; Chand, K; Budagumpi, S; Balappa Somappa, S; Patil, SA; Nagaraja, BM Jain University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955538 405257748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 788072 CNC1=NC(NC(=O)N1)c1ccccc1C InChI=1S/C11H14N4O/c1-7-5-3-4-6-8(7)9-13-10(12-2)15-11(16)14-9/h3-6,9H,1-2H3,(H3,12,13,14,15,16) PAYYAYYJBDDZQF-UHFFFAOYSA-N 394122 US9975861, 2 Beta-secretase 1 Homo sapiens 50310 US Patent 10.7270/Q2VQ3518 aid1798983 US9975861 Cavalli, A; Prati, F; Bottegoni, G; Favia, AD; Pizzirani, D; Scarpelli, R; Bolognesi, ML FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047768 405264234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 788074 CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17) XWRLROSVVBGPPA-UHFFFAOYSA-N 394123 US9975861, 3::US9975861, 4::US9975861, 5 Beta-secretase 1 Homo sapiens 16050 US Patent 10.7270/Q2VQ3518 aid1798983 US9975861 Cavalli, A; Prati, F; Bottegoni, G; Favia, AD; Pizzirani, D; Scarpelli, R; Bolognesi, ML FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136728217 405264235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 788076 CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17) XWRLROSVVBGPPA-UHFFFAOYSA-N 394123 US9975861, 3::US9975861, 4::US9975861, 5 Beta-secretase 1 Homo sapiens 8130 US Patent 10.7270/Q2VQ3518 aid1798983 US9975861 Cavalli, A; Prati, F; Bottegoni, G; Favia, AD; Pizzirani, D; Scarpelli, R; Bolognesi, ML FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136728217 405264235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 788078 CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17) XWRLROSVVBGPPA-UHFFFAOYSA-N 394123 US9975861, 3::US9975861, 4::US9975861, 5 Beta-secretase 1 Homo sapiens 12550 US Patent 10.7270/Q2VQ3518 aid1798983 US9975861 Cavalli, A; Prati, F; Bottegoni, G; Favia, AD; Pizzirani, D; Scarpelli, R; Bolognesi, ML FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136728217 405264235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 788080 CCCNC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C12H15FN4O/c1-2-7-14-11-15-10(16-12(18)17-11)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H3,14,15,16,17,18) XVEHHNNZSPUUFR-UHFFFAOYSA-N 394126 US9975861, 6 Beta-secretase 1 Homo sapiens 36830 US Patent 10.7270/Q2VQ3518 aid1798983 US9975861 Cavalli, A; Prati, F; Bottegoni, G; Favia, AD; Pizzirani, D; Scarpelli, R; Bolognesi, ML FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137129944 405264236 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800676 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(F)cn2)c1 InChI=1S/C22H19F2N7OS/c23-15-4-5-18(26-7-15)19(32)29-17-3-1-2-13(6-17)22-12-31(21-27-8-16(24)9-28-21)10-14(22)11-33-20(25)30-22/h1-9,14H,10-12H2,(H2,25,30)(H,29,32)/t14-,22+/m0/s1 ZTBLMRQYSTZEMI-RCDICMHDSA-N 150686 US8987254, 1::US9999624, 1 Beta-secretase 1 Homo sapiens 0.61 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762780 252824937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800677 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C22H21FN8O2S/c1-33-18-9-25-17(8-26-18)19(32)29-16-4-2-3-13(5-16)22-12-31(21-27-6-15(23)7-28-21)10-14(22)11-34-20(24)30-22/h2-9,14H,10-12H2,1H3,(H2,24,30)(H,29,32)/t14-,22+/m0/s1 ULOIDZYMPRJOHF-RCDICMHDSA-N 400331 US9999624, 2 Beta-secretase 1 Homo sapiens 0.482 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762781 405260345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800678 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H18F3N7OS/c23-13-1-4-18(27-6-13)19(33)30-15-2-3-17(25)16(5-15)22-11-32(21-28-7-14(24)8-29-21)9-12(22)10-34-20(26)31-22/h1-8,12H,9-11H2,(H2,26,31)(H,30,33)/t12-,22-/m0/s1 RNPOMBJFPXUWGB-YTEVENLXSA-N 150688 US8987254, 3::US9999624, 3 Beta-secretase 1 Homo sapiens 0.603 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90402017 252824939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800679 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 VQSRKMNBWMHJKY-YTEVENLXSA-N 400979 US9999624, Compound 4 Beta-secretase 1 Homo sapiens 0.615 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZR7 7MYU 78210254 405260980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800680 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C23H19FN8OS/c24-17-9-28-22(29-10-17)32-11-16-12-34-21(26)31-23(16,13-32)15-2-1-3-18(6-15)30-20(33)19-5-4-14(7-25)8-27-19/h1-6,8-10,16H,11-13H2,(H2,26,31)(H,30,33)/t16-,23+/m0/s1 YTAZIODAUBSVFU-QMHKHESXSA-N 400607 US9999624, 6 Beta-secretase 1 Homo sapiens 0.450 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762783 405260616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800681 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ncc(F)cc2F)c1 InChI=1S/C22H18F3N7OS/c23-14-5-17(25)18(27-6-14)19(33)30-16-3-1-2-12(4-16)22-11-32(21-28-7-15(24)8-29-21)9-13(22)10-34-20(26)31-22/h1-8,13H,9-11H2,(H2,26,31)(H,30,33)/t13-,22+/m0/s1 KEPOOTXKSNZTNN-WHEQGISXSA-N 150691 US8987254, 6::US9999624, 7 Beta-secretase 1 Homo sapiens 0.739 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762785 252824942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800682 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H18F2N8OS/c24-15-8-29-22(30-9-15)33-10-14-11-35-21(27)32-23(14,12-33)17-5-16(2-3-18(17)25)31-20(34)19-4-1-13(6-26)7-28-19/h1-5,7-9,14H,10-12H2,(H2,27,32)(H,31,34)/t14-,23-/m0/s1 VWFFFAAZOKVHQK-PSLXWICFSA-N 400643 N-[3-[(4aR,7aS)-2-Amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluoro-phenyl]-5-cyano-pyridine-2-carboxamide hydrochloride::US9999624, 8 Beta-secretase 1 Homo sapiens 0.358 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762787 405260652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 800683 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C22H17F4N7OS/c23-12-3-17(26)18(28-5-12)19(34)31-14-1-2-16(25)15(4-14)22-10-33(21-29-6-13(24)7-30-21)8-11(22)9-35-20(27)32-22/h1-7,11H,8-10H2,(H2,27,32)(H,31,34)/t11-,22-/m0/s1 LNRQLHAIEKKCPQ-SAHAZLINSA-N 150693 US8987254, 8::US9999624, 9 Beta-secretase 1 Homo sapiens 0.780 US Patent 10.7270/Q27H1MZB aid1799263 US9999624 May, PC; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762789 252824944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806993 CCOCc1ccc2CC3(CCC(CC3)OC)C3(N=C(SCC)N(C)C3=O)c2c1 InChI=1S/C23H32N2O3S/c1-5-28-15-16-7-8-17-14-22(11-9-18(27-4)10-12-22)23(19(17)13-16)20(26)25(3)21(24-23)29-6-2/h7-8,13,18H,5-6,9-12,14-15H2,1-4H3 CXJLKFGSQVGDNZ-UHFFFAOYSA-N 195401 US10336717, Compound 569::US9212153, 569,Ex. 418 Beta-secretase 1 Homo sapiens 13.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197496 318151068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806994 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CNC1 InChI=1S/C14H15BrN4O/c1-19-11(20)14(18-12(19)16)10-4-9(15)3-2-8(10)5-13(14)6-17-7-13/h2-4,17H,5-7H2,1H3,(H2,16,18) IEZCOIFYPCGLTC-UHFFFAOYSA-N 113385 US10336717, Compound 570::US8633212, 570::US9212153, 570 Beta-secretase 1 Homo sapiens 13500 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198300 199995101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806995 COCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C4CCC4)C3=O)c2c1 InChI=1S/C24H33N3O4/c1-29-12-13-31-19-7-6-16-15-23(10-8-18(30-2)9-11-23)24(20(16)14-19)21(28)27(22(25)26-24)17-4-3-5-17/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H2,25,26)/t18-,23-,24? QMAYKXLGRARHFK-SCRAKJMHSA-N 113386 US10336717, Compound 571::US8633212, 571::US9212153, 571 Beta-secretase 1 Homo sapiens 112 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197735 199995102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806996 COC1CCC2(Cc3ccc(cc3C22NC(=O)N(CCF)C2=O)B2OC(C)(C)C(C)(C)O2)CC1 InChI=1S/C25H34BFN2O5/c1-22(2)23(3,4)34-26(33-22)17-7-6-16-15-24(10-8-18(32-5)9-11-24)25(19(16)14-17)20(30)29(13-12-27)21(31)28-25/h6-7,14,18H,8-13,15H2,1-5H3,(H,28,31) CWEKZNYJGGWLQM-UHFFFAOYSA-N 404270 US10336717, Compound 572 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198310 405255461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806997 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCc3nccs3)C2=O)C#N)CC1 InChI=1S/C23H25N5O2S/c1-30-17-4-7-22(8-5-17)13-16-3-2-15(14-24)12-18(16)23(22)20(29)28(21(25)27-23)10-6-19-26-9-11-31-19/h2-3,9,11-12,17H,4-8,10,13H2,1H3,(H2,25,27)/t17-,22-,23? BZSMKDJXXLAPBP-DRXONWLQSA-N 113387 US10336717, Compound 573::US8633212, 573::US9212153, 573 Beta-secretase 1 Homo sapiens 57.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113387&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197511 199995103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806998 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(N)N(CC3CCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H31N3O3/c1-31-20-8-11-25(12-9-20)15-19-7-6-18(5-4-17-2-3-17)14-22(19)26(25)23(30)29(24(27)28-26)16-21-10-13-32-21/h6-7,14,17,20-21H,2-3,8-13,15-16H2,1H3,(H2,27,28)/t20-,21?,25-,26-/m0/s1 AJGBQGCTFZZUBM-KWBZCYDOSA-N 113388 US10336717, Compound 574::US8633212, 574::US9212153, 574 Beta-secretase 1 Homo sapiens 78.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197343 199995104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806999 CO[C@H]1CC[C@@]2(Cc3ccc(CN4CCC(F)(F)C4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H30F2N4O2/c1-28-19(30)23(27-20(28)26)18-11-15(13-29-10-9-22(24,25)14-29)3-4-16(18)12-21(23)7-5-17(31-2)6-8-21/h3-4,11,17H,5-10,12-14H2,1-2H3,(H2,26,27)/t17-,21-,23? HFWGACLYQWKFLC-DOQZHRMPSA-N 113390 US10336717, Compound 576::US8633212, 576::US9212153, 576 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198233 199995106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807000 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26)/t17-,23-,24-/m0/s1 DVSMPRORXNHICB-DPSWKAHMSA-N 113391 US10336717, Compound 577::US8633212, 577::US9212153, 577 Beta-secretase 1 Homo sapiens 248 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197470 199995107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807001 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26)/t17-,23-,24-/m1/s1 DVSMPRORXNHICB-UOKFIYJESA-N 113392 US10336717, Compound 578::US8633212, 578::US9212153, 578 Beta-secretase 1 Homo sapiens 3.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197619 199995108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807002 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18-/m1/s1 RVLIRWFNCYASBC-FSPWUOQZSA-N 113393 US10336717, Compound 579::US8633212, 579::US9212153, 579 Beta-secretase 1 Homo sapiens 15.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197277 199995109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807003 COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#CC1CC1 InChI=1S/C25H31N3O3/c1-30-14-13-28-22(29)25(27-23(28)26)21-15-18(6-5-17-3-4-17)7-8-19(21)16-24(25)11-9-20(31-2)10-12-24/h7-8,15,17,20H,3-4,9-14,16H2,1-2H3,(H2,26,27)/t20-,24-,25-/m1/s1 VVAPMAXSFKLICB-NIJXNBFTSA-N 195538 US10336717, Compound 580::US9212153, 580,Ex. 421 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197237 318151181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807004 COCCN1C(N)=N[C@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#CC1CC1 InChI=1S/C25H31N3O3/c1-30-14-13-28-22(29)25(27-23(28)26)21-15-18(6-5-17-3-4-17)7-8-19(21)16-24(25)11-9-20(31-2)10-12-24/h7-8,15,17,20H,3-4,9-14,16H2,1-2H3,(H2,26,27)/t20-,24-,25-/m0/s1 VVAPMAXSFKLICB-OPXMRZJTSA-N 195404 US10336717, Compound 581::US9212153, 581,Ex. 421 Beta-secretase 1 Homo sapiens 181 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197370 318151071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807005 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-n2ccccc2=O)CC1 InChI=1S/C23H26N4O3/c1-26-20(29)23(25-21(26)24)18-13-16(27-12-4-3-5-19(27)28)7-6-15(18)14-22(23)10-8-17(30-2)9-11-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H2,24,25)/t17-,22-,23? CNRMICCPHFMZEF-DRXONWLQSA-N 113394 US10336717, Compound 582::US8633212, 582::US9212153, 582 Beta-secretase 1 Homo sapiens 458 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198324 199995110 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807006 CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 InChI=1S/C22H23F2N3O3/c1-27-18(28)22(26-20(27)25)16-12-14(5-4-13-2-3-13)6-7-17(16)30-21(22)10-8-15(9-11-21)29-19(23)24/h6-7,12-13,15,19H,2-3,8-11H2,1H3,(H2,25,26)/t15-,21+,22? XJXUWJMKXRUYMJ-XPYIILQESA-N 113395 US10336717, Compound 583::US8633212, 583::US9212153, 583 Beta-secretase 1 Homo sapiens 268 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197622 199995111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807007 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1O[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C17H18BrF2N3O3/c1-23-13(24)17(22-15(23)21)11-8-9(18)2-3-12(11)26-16(17)6-4-10(5-7-16)25-14(19)20/h2-3,8,10,14H,4-7H2,1H3,(H2,21,22)/t10-,16+,17? VEMKSWQLZBRLCK-NMWITXELSA-N 113396 US10336717, Compound 584::US8633212, 584::US9212153, 584 Beta-secretase 1 Homo sapiens 424 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197224 199995112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807008 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(CC(C)(C)O)C2=O)CC1 InChI=1S/C21H28BrN3O3/c1-19(2,27)12-25-17(26)21(24-18(25)23)16-10-14(22)5-4-13(16)11-20(21)8-6-15(28-3)7-9-20/h4-5,10,15,27H,6-9,11-12H2,1-3H3,(H2,23,24)/t15-,20-,21-/m0/s1 JSGJFFJENPMRRB-JHVJFLLYSA-N 113397 US10336717, Compound 585::US8633212, 585::US9212153, 585 Beta-secretase 1 Homo sapiens 4226 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198225 199995113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807009 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(Cc3cnccn3)C2=O)CC1 InChI=1S/C22H24BrN5O2/c1-30-17-4-6-21(7-5-17)11-14-2-3-15(23)10-18(14)22(21)19(29)28(20(24)27-22)13-16-12-25-8-9-26-16/h2-3,8-10,12,17H,4-7,11,13H2,1H3,(H2,24,27)/t17-,21-,22-/m0/s1 ONUULUPXBVSNKR-HSQYWUDLSA-N 113398 US10336717, Compound 586::US8633212, 586::US9212153, 586 Beta-secretase 1 Homo sapiens 2119 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197451 199995114 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807010 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N([C@@H](C)CO)C2=O)CC1 InChI=1S/C20H26BrN3O3/c1-12(11-25)24-17(26)20(23-18(24)22)16-9-14(21)4-3-13(16)10-19(20)7-5-15(27-2)6-8-19/h3-4,9,12,15,25H,5-8,10-11H2,1-2H3,(H2,22,23)/t12-,15-,19-,20-/m0/s1 VLXKYDUKBZSTNJ-DRCLLSGRSA-N 113399 US10336717, Compound 587::US8633212, 587::US9212153, 587 Beta-secretase 1 Homo sapiens 13500 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197006 199995115 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807011 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N([C@H](C)CO)C2=O)CC1 InChI=1S/C20H26BrN3O3/c1-12(11-25)24-17(26)20(23-18(24)22)16-9-14(21)4-3-13(16)10-19(20)7-5-15(27-2)6-8-19/h3-4,9,12,15,25H,5-8,10-11H2,1-2H3,(H2,22,23)/t12-,15-,19-,20+/m1/s1 VLXKYDUKBZSTNJ-USHFMXFJSA-N 113400 US10336717, Compound 588::US8633212, 588::US9212153, 588 Beta-secretase 1 Homo sapiens 19370 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198334 199995116 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807012 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18-/m0/s1 RVLIRWFNCYASBC-KKXDTOCCSA-N 113401 US10336717, Compound 589::US8633212, 589::US9212153, 589 Beta-secretase 1 Homo sapiens 4509 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198354 199995117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807013 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(c4)C#N)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C25H26N4O3/c1-29-22(30)25(28-23(29)27)21-13-20(32-19-5-3-4-16(12-19)15-26)7-6-17(21)14-24(25)10-8-18(31-2)9-11-24/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,27,28)/t18-,24-,25-/m0/s1 SUNVORRTVBIPAO-WDNCENIBSA-N 404287 US10336717, Compound 592 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122548010 405255462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807014 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cc(Cl)cc(Cl)c4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H25Cl2N3O3/c1-29-21(30)24(28-22(29)27)20-12-18(32-19-10-15(25)9-16(26)11-19)4-3-14(20)13-23(24)7-5-17(31-2)6-8-23/h3-4,9-12,17H,5-8,13H2,1-2H3,(H2,27,28)/t17-,23-,24? OEHJJGOVWRTDDR-CNCCVMFFSA-N 113403 US10336717, Compound 593::US8633212, 593::US9212153, 593 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197796 199995119 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807015 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(Cl)c4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C23H26ClN3O3/c1-27-21(25)26-23(30-27)20-13-19(29-18-5-3-4-16(24)12-18)7-6-15(20)14-22(23)10-8-17(28-2)9-11-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H2,25,26)/t17-,22-,23? RQFFEBUTFXUCGY-DRXONWLQSA-N 113404 US10336717, Compound 594::US8633212, 594::US9212153, 594 Beta-secretase 1 Homo sapiens 99.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197059 199995120 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807016 CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccc(Cl)cc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C23H26ClN3O3/c1-27-21(25)26-23(30-27)20-13-19(29-18-7-4-16(24)5-8-18)6-3-15(20)14-22(23)11-9-17(28-2)10-12-22/h3-8,13,17H,9-12,14H2,1-2H3,(H2,25,26)/t17-,22-,23? XLPXZQXOEIJBPP-DRXONWLQSA-N 113405 US10336717, Compound 595::US8633212, 595::US9212153, 595 Beta-secretase 1 Homo sapiens 105 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196994 199995121 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807017 CCCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 InChI=1S/C26H33N3O3/c1-4-14-31-21-10-12-25(13-11-21)17-20-9-8-19(18-6-5-7-22(15-18)30-3)16-23(20)26(25)28-24(27)29(2)32-26/h5-9,15-16,21H,4,10-14,17H2,1-3H3,(H2,27,28)/t21-,25-,26? OFEDQRWRYMWBRF-AHQGXOPPSA-N 113406 US10336717, Compound 596::US8633212, 596::US9212153, 596 Beta-secretase 1 Homo sapiens 455 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197417 199995122 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807018 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 InChI=1S/C25H31N3O3/c1-4-30-20-10-12-24(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)29-3)15-22(19)25(24)27-23(26)28(2)31-25/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,26,27)/t20-,24-,25? QAEMRDPFYVFBTI-QXONTCKQSA-N 113407 US10336717, Compound 597::US8633212, 597::US9212153, 597 Beta-secretase 1 Homo sapiens 86.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197330 199995123 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807019 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC)c2)CC1 InChI=1S/C26H31N3O3/c1-4-32-20-10-12-25(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)31-3)15-22(19)26(25)23(30)29(2)24(27)28-26/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,27,28)/t20-,25-,26? MYXJWEOTNCACCL-QPYJLFMVSA-N 113408 US10336717, Compound 598::US8633212, 598::US9212153, 598 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198110 199995124 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807020 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C24H35N3O3/c1-15(2)14-30-19-7-6-17-13-23(10-8-18(29-5)9-11-23)24(20(17)12-19)21(28)27(16(3)4)22(25)26-24/h6-7,12,15-16,18H,8-11,13-14H2,1-5H3,(H2,25,26)/t18-,23-,24? LTMUEZYTIQZCGM-SCRAKJMHSA-N 113409 US10336717, Compound 599::US8633212, 599::US9212153, 599 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197437 199995125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807021 CO[C@H]1CC[C@@]2(Cc3ccc(OCCOC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H37N3O4/c1-16(2)28-22(29)25(27-23(28)26)21-14-20(32-13-12-31-17(3)4)7-6-18(21)15-24(25)10-8-19(30-5)9-11-24/h6-7,14,16-17,19H,8-13,15H2,1-5H3,(H2,26,27)/t19-,24-,25? QLWKSBXAUZOZAO-SSEMJGATSA-N 113410 US10336717, Compound 600::US8633212, 600::US9212153, 600 Beta-secretase 1 Homo sapiens 390 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198351 199995126 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807022 COCCCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 InChI=1S/C27H35N3O4/c1-30-25(28)29-27(34-30)24-17-20(19-6-4-7-23(16-19)32-3)8-9-21(24)18-26(27)12-10-22(11-13-26)33-15-5-14-31-2/h4,6-9,16-17,22H,5,10-15,18H2,1-3H3,(H2,28,29)/t22-,26-,27? RYYVKIQCTNVSSO-JZGZJDTKSA-N 113411 US10336717, Compound 601::US8633212, 601::US9212153, 601 Beta-secretase 1 Homo sapiens 293 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197462 199995127 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807023 COCCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1 InChI=1S/C23H31F2N3O4/c1-30-10-3-11-32-17-5-4-15-13-22(8-6-16(31-2)7-9-22)23(18(15)12-17)20(29)28(14-19(24)25)21(26)27-23/h4-5,12,16,19H,3,6-11,13-14H2,1-2H3,(H2,26,27)/t16-,22-,23? HXQCUHMWCSOTLT-PODMFDMMSA-N 113412 US10336717, Compound 602::US8633212, 602::US9212153, 602 Beta-secretase 1 Homo sapiens 6.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197084 199995128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807024 CCOCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1 InChI=1S/C24H33F2N3O3/c1-3-32-12-4-5-16-6-7-17-14-23(10-8-18(31-2)9-11-23)24(19(17)13-16)21(30)29(15-20(25)26)22(27)28-24/h6-7,13,18,20H,3-5,8-12,14-15H2,1-2H3,(H2,27,28)/t18-,23-,24? ZYNCNABWUAMIEC-SCRAKJMHSA-N 113413 US10336717, Compound 603::US8633212, 603::US9212153, 603 Beta-secretase 1 Homo sapiens 102 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197308 199995129 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 807025 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCCO4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C24H31F2N3O4/c1-31-16-6-8-23(9-7-16)12-15-4-5-17(33-14-18-3-2-10-32-18)11-19(15)24(23)21(30)29(13-20(25)26)22(27)28-24/h4-5,11,16,18,20H,2-3,6-10,12-14H2,1H3,(H2,27,28)/t16-,18?,23-,24? VLBDIXRLEBZXHA-BRARJBDMSA-N 113414 US10336717, Compound 604::US8633212, 604::US9212153, 604 Beta-secretase 1 Homo sapiens 31.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197956 199995130 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908970 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H20F3N5O4S/c1-28-19(24)27-20(8-2-3-16(20)33(28,30)31)13-9-11(4-6-14(13)21)26-17(29)15-7-5-12(10-25-15)32-18(22)23/h4-7,9-10,16,18H,2-3,8H2,1H3,(H2,24,27)(H,26,29)/t16-,20-/m1/s1 KUEMKDZBSBUMIV-OXQOHEQNSA-N 50271166 CHEMBL4130055 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202050 405255743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908971 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F InChI=1S/C20H22FN5O3S/c1-12-5-8-16(23-11-12)18(27)24-13-6-7-15(21)14(10-13)20-9-3-4-17(20)30(28,29)26(2)19(22)25-20/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1 PEGNNDOQUVAZJH-YLJYHZDGSA-N 50271167 CHEMBL4127870 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201655 405255744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908973 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(F)cc2C)ccc1F InChI=1S/C20H21F2N5O3S/c1-11-8-12(21)10-24-17(11)18(28)25-13-5-6-15(22)14(9-13)20-7-3-4-16(20)31(29,30)27(2)19(23)26-20/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20-/m1/s1 WJPNPTZJGPWLCP-OXQOHEQNSA-N 50271168 CHEMBL4127283 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202057 405255745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908974 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F InChI=1S/C22H20BrFN6O3S/c1-30-21(25)29-22(7-2-3-17(22)34(30,32)33)15-10-14(4-5-16(15)24)28-20(31)19-18-12(6-8-26-19)9-13(23)11-27-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,25,29)(H,28,31)/t17-,22-/m1/s1 WFTGZFLRKOTOMZ-VGOFRKELSA-N 50271165 CHEMBL4128375 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961539 405255742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908975 COc1cnc2c(ccnc2c1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C23H23FN6O4S/c1-30-22(25)29-23(8-3-4-19(23)35(30,32)33)16-10-13(5-6-17(16)24)28-21(31)15-7-9-26-18-11-14(34-2)12-27-20(15)18/h5-7,9-12,19H,3-4,8H2,1-2H3,(H2,25,29)(H,28,31)/t19-,23-/m1/s1 FNDYCIVFOCBPAD-AUSIDOKSSA-N 50271169 CHEMBL4129747 Beta-secretase 1 Homo sapiens 206 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960757 405255746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908976 COc1cnc2c(nccc2n1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C22H22FN7O4S/c1-30-21(24)29-22(8-3-4-16(22)35(30,32)33)13-10-12(5-6-14(13)23)27-20(31)19-18-15(7-9-25-19)28-17(34-2)11-26-18/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,24,29)(H,27,31)/t16-,22-/m1/s1 JTJRCLLMZWXZNJ-OPAMFIHVSA-N 50271170 CHEMBL4127138 Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962778 405255747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908982 COc1cnc2c(nccc2c1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C23H23FN6O4S/c1-30-22(25)29-23(8-3-4-18(23)35(30,32)33)16-11-14(5-6-17(16)24)28-21(31)20-19-13(7-9-26-20)10-15(34-2)12-27-19/h5-7,9-12,18H,3-4,8H2,1-2H3,(H2,25,29)(H,28,31)/t18-,23-/m1/s1 YRLMAKOEMOXAHN-WZONZLPQSA-N 50271164 CHEMBL4128525 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962834 405255741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50908983 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(C)n1 InChI=1S/C20H23FN6O4S/c1-11-17(23-10-16(24-11)31-3)18(28)25-12-6-7-14(21)13(9-12)20-8-4-5-15(20)32(29,30)27(2)19(22)26-20/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,22,26)(H,25,28)/t15-,20-/m1/s1 YDAUYASJAKMRQF-FOIQADDNSA-N 50271171 CHEMBL4125904 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202106 405255748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50909185 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1 SFRFSUMBDAYLDH-VQIMIIECSA-N 50271172 CHEMBL4127711 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202062 405255749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50909189 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19FN6O3S/c1-27-19(23)26-20(8-2-3-17(20)31(27,29)30)14-9-13(5-6-15(14)21)25-18(28)16-7-4-12(10-22)11-24-16/h4-7,9,11,17H,2-3,8H2,1H3,(H2,23,26)(H,25,28)/t17-,20-/m1/s1 YIYHJEBMLKIUPV-YLJYHZDGSA-N 50271173 CHEMBL4129113 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202069 405255750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50909191 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C19H21FN6O3S/c1-11-9-23-15(10-22-11)17(27)24-12-5-6-14(20)13(8-12)19-7-3-4-16(19)30(28,29)26(2)18(21)25-19/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t16-,19-/m1/s1 TZNJQQFHTFHSBF-VQIMIIECSA-N 50271174 CHEMBL4126480 Beta-secretase 1 Homo sapiens 126 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201653 405255751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50909193 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1 GYVDXWKQHSKJCJ-DNVCBOLYSA-N 50271163 CHEMBL4129654 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201660 405255740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50909194 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C19H18F3N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1 NWDPGGJFZUSNSI-DNVCBOLYSA-N 50271175 CHEMBL4126365 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acsmedchemlett.7b00268 10.7270/Q2K93B1Q 28835787 Blass, B Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202063 405255752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806477 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27) VIMGJCVRUVNFFH-UHFFFAOYSA-N 195418 US10336717, Compound 1::US9212153, 1 Beta-secretase 1 Homo sapiens 2.60 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46892271 318151082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806478 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C24H25ClN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28) UUXWNRAWHSOACD-UHFFFAOYSA-N 195419 US10336717, Compound 2::US9212153, 2 Beta-secretase 1 Homo sapiens 3.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198025 318151083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806479 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C22H27N3O2/c1-25-20(23)24-22(27-25)19-13-16(6-5-15-3-4-15)7-8-17(19)14-21(22)11-9-18(26-2)10-12-21/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,23,24) WFTQDRDBPXDEDS-UHFFFAOYSA-N 113225 US10336717, Compound 3::US8633212, 3 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197273 199994941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806480 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C25H26N4O2/c1-29-22(30)25(28-23(29)27)21-13-18(17-5-3-4-16(12-17)15-26)6-7-19(21)14-24(25)10-8-20(31-2)9-11-24/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,27,28) CQCYWEAFJHYRMA-UHFFFAOYSA-N 403754 US10336717, Compound 4 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197221 405255241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806481 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(Cl)c2)CC1 InChI=1S/C23H26ClN3O2/c1-27-21(25)26-23(29-27)20-13-16(15-4-3-5-18(24)12-15)6-7-17(20)14-22(23)10-8-19(28-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,25,26) FBXRSVMHWHFIPB-UHFFFAOYSA-N 195422 US10336717, Compound 5::US9212153, 5 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197627 318151086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806482 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(Cl)c2)CC1 InChI=1S/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27) FHPPAGFELZIYMX-UHFFFAOYSA-N 195423 US10336717, Compound 6::US9212153, 6 Beta-secretase 1 Homo sapiens 4.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197190 318151087 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806483 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(OC)c2)CC1 InChI=1S/C24H28ClN3O3/c1-28-22(26)27-24(31-28)21-12-15(17-10-18(25)13-20(11-17)30-3)4-5-16(21)14-23(24)8-6-19(29-2)7-9-23/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,26,27) CQATWEDKZUQSBB-UHFFFAOYSA-N 195424 US10336717, Compound 7::US9212153, 7 Beta-secretase 1 Homo sapiens 5.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197457 318151088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806484 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C24H25FN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28) NEQPLWSIFDHTSW-UHFFFAOYSA-N 195425 US10336717, Compound 8::US9212153, 8 Beta-secretase 1 Homo sapiens 5.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197503 318151089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806485 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC(F)(F)F)c2)CC1 InChI=1S/C24H26F3N3O3/c1-30-21(28)29-23(33-30)20-13-16(15-4-3-5-19(12-15)32-24(25,26)27)6-7-17(20)14-22(23)10-8-18(31-2)9-11-22/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,28,29) YUXAILNGSXIUQD-UHFFFAOYSA-N 195426 US10336717, Compound 9::US9212153, 9 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197393 318151090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806486 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(c1)C#N InChI=1S/C28H25ClN4O/c1-33-26(31)32-28(34-33)25-15-21(23-12-18(17-30)13-24(29)14-23)6-7-22(25)16-27(28)10-8-19-4-2-3-5-20(19)9-11-27/h2-7,12-15H,8-11,16H2,1H3,(H2,31,32) BSLOJIAKFHBYMO-UHFFFAOYSA-N 113232 US10336717, Compound 10::US8633212, 10::US9212153, 10 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198052 199994948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806487 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC(F)(F)F)c2)CC1 InChI=1S/C25H26F3N3O3/c1-31-21(32)24(30-22(31)29)20-13-16(15-4-3-5-19(12-15)34-25(26,27)28)6-7-17(20)14-23(24)10-8-18(33-2)9-11-23/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,29,30) VHHZRPNETISLDL-UHFFFAOYSA-N 113233 US10336717, Compound 11::US8633212, 11 Beta-secretase 1 Homo sapiens 7.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197776 199994949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806488 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 InChI=1S/C24H25FN4O2/c1-29-22(27)28-24(31-29)20-12-16(15-5-6-21(25)18(11-15)14-26)3-4-17(20)13-23(24)9-7-19(30-2)8-10-23/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,27,28) OVVSVXIIIOKEED-UHFFFAOYSA-N 195428 US10336717, Compound 12::US9212153, 12 Beta-secretase 1 Homo sapiens 7.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197212 318151092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806489 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(Cl)c2)CC1 InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27) OVNPMAGYRQDZCZ-UHFFFAOYSA-N 195429 US10336717, Compound 13::US9212153, 13 Beta-secretase 1 Homo sapiens 8.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197656 318151093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806490 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C24H25ClFN3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28) DZNCTCZTABODEP-UHFFFAOYSA-N 113236 US10336717, Compound 14::US8633212, 14 Beta-secretase 1 Homo sapiens 11.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197187 199994952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806491 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1 InChI=1S/C27H25ClFN3O/c1-32-25(30)31-27(33-32)24-14-19(21-12-22(28)15-23(29)13-21)6-7-20(24)16-26(27)10-8-17-4-2-3-5-18(17)9-11-26/h2-7,12-15H,8-11,16H2,1H3,(H2,30,31) BOQSEBCICDMPCZ-UHFFFAOYSA-N 113237 US10336717, Compound 15::US8633212, 15::US9212153, 15 Beta-secretase 1 Homo sapiens 11.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197101 199994953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806492 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1 InChI=1S/C25H28ClN3O3/c1-29-22(30)25(28-23(29)27)21-12-15(17-10-18(26)13-20(11-17)32-3)4-5-16(21)14-24(25)8-6-19(31-2)7-9-24/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,27,28) PMSJQUIABBSGQR-UHFFFAOYSA-N 113238 US10336717, Compound 16::US8633212, 16 Beta-secretase 1 Homo sapiens 11.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927169 199994954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806493 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(Cl)c1 InChI=1S/C27H26ClN3O/c1-31-25(29)30-27(32-31)24-16-21(20-7-4-8-23(28)15-20)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,29,30) FTZGJZCAODWJIN-UHFFFAOYSA-N 113239 US10336717, Compound 17::US8633212, 17::US9212153, 17 Beta-secretase 1 Homo sapiens 12.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927170 199994955 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806494 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1 InChI=1S/C22H26N4O2/c1-26-20(23)25-22(28-26)19-12-15(17-4-3-11-24-14-17)5-6-16(19)13-21(22)9-7-18(27-2)8-10-21/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,23,25) KRSRADYOCUBYFY-UHFFFAOYSA-N 113240 US10336717, Compound 18::US8633212, 18::US9212153, 18 Beta-secretase 1 Homo sapiens 16.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197336 199994956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806495 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(C)cc(C)c2)CC1 InChI=1S/C25H31N3O2/c1-16-11-17(2)13-20(12-16)18-5-6-19-15-24(9-7-21(29-4)8-10-24)25(22(19)14-18)27-23(26)28(3)30-25/h5-6,11-14,21H,7-10,15H2,1-4H3,(H2,26,27) FYALOILYRKEBCX-UHFFFAOYSA-N 195432 US10336717, Compound 19::US9212153, 19 Beta-secretase 1 Homo sapiens 14.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197215 318151096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806496 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C(F)(F)F)CC1 InChI=1S/C24H26F3N3O2/c1-30-21(28)29-23(32-30)20-13-16(15-4-3-5-18(12-15)24(25,26)27)6-7-17(20)14-22(23)10-8-19(31-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,28,29) SKTFCNUADRUXNU-UHFFFAOYSA-N 195433 US10336717, Compound 20::US9212153, 20 Beta-secretase 1 Homo sapiens 18.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197604 318151097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806497 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C27H25Cl2N3O/c1-32-25(30)31-27(33-32)24-14-19(21-12-22(28)15-23(29)13-21)6-7-20(24)16-26(27)10-8-17-4-2-3-5-18(17)9-11-26/h2-7,12-15H,8-11,16H2,1H3,(H2,30,31) LNMMMYCCXOOMDX-UHFFFAOYSA-N 113243 US10336717, Compound 21::US8633212, 21::US9212153, 21 Beta-secretase 1 Homo sapiens 18.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197994 199994959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806498 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-16-23(22-8-4-5-19(15-22)18-29)9-10-24(25)17-27(28)13-11-20-6-2-3-7-21(20)12-14-27/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31) VSAVTZPKBOTXML-UHFFFAOYSA-N 113244 US10336717, Compound 22::US8633212, 22::US9212153, 22 Beta-secretase 1 Homo sapiens 19.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197460 199994960 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806499 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1ccc(F)c(Cl)c1 InChI=1S/C27H25ClFN3O/c1-32-25(30)31-27(33-32)22-14-19(20-8-9-24(29)23(28)15-20)6-7-21(22)16-26(27)12-10-17-4-2-3-5-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,30,31) DFNWBENAXJQAMD-UHFFFAOYSA-N 113245 US10336717, Compound 23::US8633212, 23::US9212153, 23 Beta-secretase 1 Homo sapiens 20.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198251 199994961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806500 CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C23H29N3O2/c1-3-27-19-10-12-22(13-11-19)15-18-9-8-17(7-6-16-4-5-16)14-20(18)23(22)25-21(24)26(2)28-23/h8-9,14,16,19H,3-5,10-13,15H2,1-2H3,(H2,24,25) URORQPMTQDJIPF-UHFFFAOYSA-N 113246 US10336717, Compound 24::US8633212, 24::US9212153, 24 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927171 199994962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806501 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C24H26N4O2/c1-28-22(26)27-24(30-28)21-13-18(17-5-3-4-16(12-17)15-25)6-7-19(21)14-23(24)10-8-20(29-2)9-11-23/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,26,27) MYHADYIDHTWANE-UHFFFAOYSA-N 195434 US10336717, Compound 25::US9212153, 25 Beta-secretase 1 Homo sapiens 26.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198006 318151098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806502 COc1cc(Cl)cc(c1)-c1ccc2CC3(CCc4ccccc4CC3)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C28H28ClN3O2/c1-32-26(30)31-28(34-32)25-15-20(22-13-23(29)16-24(14-22)33-2)7-8-21(25)17-27(28)11-9-18-5-3-4-6-19(18)10-12-27/h3-8,13-16H,9-12,17H2,1-2H3,(H2,30,31) SAFZOGOCRZPGNW-UHFFFAOYSA-N 113249 US10336717, Compound 27::US8633212, 27::US9212153, 27 Beta-secretase 1 Homo sapiens 38.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198128 199994965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806503 CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28)/t21-,24-,25? JHQHHCUZYLLSKH-TYRCWPPYSA-N 113250 US10336717, Compound 28::US8633212, 28::US9212153, 28 Beta-secretase 1 Homo sapiens 41.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197987 199994966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806504 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C29H26N4O/c1-33-26(34)29(32-27(33)31)25-16-23(22-8-4-5-19(15-22)18-30)9-10-24(25)17-28(29)13-11-20-6-2-3-7-21(20)12-14-28/h2-10,15-16H,11-14,17H2,1H3,(H2,31,32) QKBGVPVPQUKGNV-UHFFFAOYSA-N 113251 US10336717, Compound 29::US8633212, 29::US9212153, 29 Beta-secretase 1 Homo sapiens 5.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198293 199994967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806505 CN1OC2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22ClN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) QUQKATHRDQFVIH-UHFFFAOYSA-N 113252 US10336717, Compound 30::US8633212, 30::US9212153, 30 Beta-secretase 1 Homo sapiens 61.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197890 199994968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806506 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22BrN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) RZSSUBGVLTWUMX-UHFFFAOYSA-N 113253 US10336717, Compound 122::US8633212, 31::US9212153, 67 Beta-secretase 1 Homo sapiens 64.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197054 199994969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806507 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)ccc2C)CC1 InChI=1S/C24H28FN3O2/c1-15-4-7-18(25)13-20(15)16-5-6-17-14-23(10-8-19(29-3)9-11-23)24(21(17)12-16)27-22(26)28(2)30-24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H2,26,27) HMIWEFCAUJPAMA-UHFFFAOYSA-N 195436 US10336717, Compound 32::US9212153, 32 Beta-secretase 1 Homo sapiens 74.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197019 318151099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806508 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)c(F)cc2C1)-c1cccc(c1)C#N InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-10-18(17-4-2-3-16(9-17)15-30)5-6-20(22)13-26(27)8-7-19-11-23(28)24(29)12-21(19)14-26/h2-6,9-12H,7-8,13-14H2,1H3,(H2,31,32) NJVVZQHCISHVOM-UHFFFAOYSA-N 113255 US10336717, Compound 33::US8633212, 33::US9212153, 33 Beta-secretase 1 Homo sapiens 89.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197266 199994971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806509 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)=CC1)-c1cccc(c1)C#N InChI=1S/C23H21FN4O/c1-28-21(26)27-23(29-28)20-12-17(16-4-2-3-15(11-16)14-25)5-6-18(20)13-22(23)9-7-19(24)8-10-22/h2-7,11-12H,8-10,13H2,1H3,(H2,26,27) WVVYNJBCBCAOBE-UHFFFAOYSA-N 113256 US10336717, Compound 34::US8633212, 34::US9212153, 34 Beta-secretase 1 Homo sapiens 93.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197693 199994972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806510 CN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1 InChI=1S/C21H23N3O/c1-24-19(22)23-21(25-24)18-9-5-4-8-17(18)14-20(21)12-10-15-6-2-3-7-16(15)11-13-20/h2-9H,10-14H2,1H3,(H2,22,23) NCWJNDINNMXSAF-UHFFFAOYSA-N 113257 US10336717, Compound 35::US8633212, 35::US9212153, 35 Beta-secretase 1 Homo sapiens 105 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197115 199994973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806511 CN1OC2(N=C1N)c1cc(ccc1CC21CCOc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C27H24N4O2/c1-31-25(29)30-27(33-31)23-14-20(19-7-4-5-18(13-19)17-28)9-10-21(23)15-26(27)11-12-32-24-8-3-2-6-22(24)16-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30) NNHCQEPHZJRECK-UHFFFAOYSA-N 113258 US10336717, Compound 36::US8633212, 36::US9212153, 36 Beta-secretase 1 Homo sapiens 122 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198284 199994974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806512 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1 InChI=1S/C25H28N4O2/c1-29-23(26)28-25(31-29)21-13-17(18-4-3-16-9-12-27-22(16)14-18)5-6-19(21)15-24(25)10-7-20(30-2)8-11-24/h3-6,9,12-14,20,27H,7-8,10-11,15H2,1-2H3,(H2,26,28) MSKXYFUUPNXUFI-UHFFFAOYSA-N 113259 US10336717, Compound 37::US8633212, 37::US9212153, 37 Beta-secretase 1 Homo sapiens 126 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927250 199994975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806513 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(OC(F)(F)F)c1 InChI=1S/C28H26F3N3O2/c1-34-25(32)33-27(36-34)24-16-21(20-7-4-8-23(15-20)35-28(29,30)31)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,32,33) SEJLBMNPGJWZKM-UHFFFAOYSA-N 113260 US10336717, Compound 38::US8633212, 38::US9212153, 38 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197029 199994976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806514 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C(F)(F)F InChI=1S/C28H26F3N3O/c1-34-25(32)33-27(35-34)24-16-21(20-7-4-8-23(15-20)28(29,30)31)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,32,33) JOGOSFOJKKSAFL-UHFFFAOYSA-N 113261 US10336717, Compound 39::US8633212, 39::US9212153, 39 Beta-secretase 1 Homo sapiens 158 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197866 199994977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806515 CN1OC2(N=C1N)c1cc(ccc1CC21Cc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C26H22N4O/c1-30-24(28)29-26(31-30)23-12-19(18-8-4-5-17(11-18)16-27)9-10-22(23)15-25(26)13-20-6-2-3-7-21(20)14-25/h2-12H,13-15H2,1H3,(H2,28,29) TWSDZWSGUIOPLA-UHFFFAOYSA-N 113262 US10336717, Compound 40::US8633212, 40::US9212153, 40 Beta-secretase 1 Homo sapiens 160 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197787 199994978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806516 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(C)=C(C)C1)-c1cccc(c1)C#N InChI=1S/C25H26N4O/c1-16-9-10-24(13-17(16)2)14-21-8-7-20(19-6-4-5-18(11-19)15-26)12-22(21)25(24)28-23(27)29(3)30-25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,27,28) RWBHYLPBKVJGEQ-UHFFFAOYSA-N 113263 US10336717, Compound 41::US8633212, 41::US9212153, 41 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197560 199994979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806517 COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1 InChI=1S/C25H27ClFN3O2/c1-30-22(31)14-25(29-23(30)28)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13-14H2,1-2H3,(H2,28,29) WQOVFIOFMYBYHK-UHFFFAOYSA-N 113264 US10336717, Compound 42::US8633212, 42::US9212153, 42 Beta-secretase 1 Homo sapiens 173 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197639 199994980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806518 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31) OBVWPDZIMHUUSX-UHFFFAOYSA-N 113265 US10336717, Compound 43::US8633212, 43::US9212153, 43 Beta-secretase 1 Homo sapiens 178 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197145 199994981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806519 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N InChI=1S/C23H22F2N4O/c1-29-20(27)28-23(30-29)19-12-17(16-4-2-3-15(11-16)14-26)5-6-18(19)13-21(23)7-9-22(24,25)10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,27,28) NSPCVZWNYCBBFE-UHFFFAOYSA-N 113266 US10336717, Compound 44::US8633212, 44::US9212153, 44 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197821 199994982 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806520 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30) MSYXYCKNYXJRHO-UHFFFAOYSA-N 113267 US10336717, Compound 45::US8633212, 45 Beta-secretase 1 Homo sapiens 195 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927093 199994983 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806521 CN1OC2(N=C1N)c1cc(ccc1CC21CCCc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-4-6-19(14-21)18-29)11-12-24(25)17-27(28)13-5-10-20-7-2-3-8-23(20)16-27/h2-4,6-9,11-12,14-15H,5,10,13,16-17H2,1H3,(H2,30,31) FMKJWXIQQLHLGL-UHFFFAOYSA-N 113268 US10336717, Compound 46::US8633212, 46 Beta-secretase 1 Homo sapiens 293 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198004 199994984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806522 CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31) JOPWYSAFJDSBLE-UHFFFAOYSA-N 113269 US10336717, Compound 53::US8633212, 47::US8633212, 53::US9212153, 53 Beta-secretase 1 Homo sapiens 295 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197613 199994985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806523 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)ccc(F)c2F)-c1cccc(c1)C#N InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-12-18(17-4-2-3-16(11-17)15-30)5-6-20(22)14-26(27)10-9-21-19(13-26)7-8-23(28)24(21)29/h2-8,11-12H,9-10,13-14H2,1H3,(H2,31,32) KQDPKNUNVTZZFR-UHFFFAOYSA-N 113270 US10336717, Compound 48::US8633212, 48::US9212153, 48 Beta-secretase 1 Homo sapiens 378 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198285 199994986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806524 CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28) JHQHHCUZYLLSKH-UHFFFAOYSA-N 113304 US10336717, Compound 82::US8633212, 82::US9212153, 82 Beta-secretase 1 Homo sapiens 41.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197987 199995020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806525 CN1OC2(N=C1N)c1cc(ccc1CC21CCCC1)-c1cccc(c1)C#N InChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25) GEDCABMRPNCGFN-UHFFFAOYSA-N 113272 US10336717, Compound 50::US8633212, 50::US9212153, 50 Beta-secretase 1 Homo sapiens 443 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197268 199994988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806526 CN1OC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(c1)C#N InChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25) GHBGKKVPFJLMRC-UHFFFAOYSA-N 113273 US10336717, Compound 51::US8633212, 51::US9212153, 51 Beta-secretase 1 Homo sapiens 466 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927167 199994989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806527 COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C25H28N4O2/c1-29-23(27)28-25(31-29)22-15-20(19-5-3-4-17(14-19)16-26)7-6-18(22)8-11-24(25)12-9-21(30-2)10-13-24/h3-7,14-15,21H,8-13H2,1-2H3,(H2,27,28) GKVATHUIORNBEJ-UHFFFAOYSA-N 113274 US10336717, Compound 52::US8633212, 52::US9212153, 52 Beta-secretase 1 Homo sapiens 506 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197925 199994990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806528 CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31) JOPWYSAFJDSBLE-UHFFFAOYSA-N 113269 US10336717, Compound 53::US8633212, 47::US8633212, 53::US9212153, 53 Beta-secretase 1 Homo sapiens 514 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197613 199994985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806529 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(F)cccc2C1)-c1cccc(c1)C#N InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)23-13-19(18-5-2-4-17(12-18)16-29)8-9-21(23)15-26(27)11-10-22-20(14-26)6-3-7-24(22)28/h2-9,12-13H,10-11,14-15H2,1H3,(H2,30,31) CWXKTVRWUFSCCA-UHFFFAOYSA-N 113276 US10336717, Compound 54::US8633212, 54 Beta-secretase 1 Homo sapiens 618 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197978 199994992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806530 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1 InChI=1S/C24H29N3O2/c1-27-21(28)15-24(26-22(27)25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-23(24)11-9-19(29-2)10-12-23/h7-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H2,25,26)/t19-,23-,24? ZZMSMTYJMCOVRM-AHLJTMJASA-N 113277 US10336717, Compound 55::US8633212, 55::US9212153, 55 Beta-secretase 1 Homo sapiens 670 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927331 199994993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806531 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C22H22BrN3O/c1-26-19(27)22(25-20(26)24)18-12-17(23)7-6-16(18)13-21(22)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H2,24,25) HJLLROHCPQJCME-UHFFFAOYSA-N 113278 US10336717, Compound 418::US8633212, 56::US9212153, 56 Beta-secretase 1 Homo sapiens 204 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197177 199994994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806532 CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24? WGLDRGVBLRCVPG-MNZGCLKASA-N 113279 US10336717, Compound 62::US8633212, 57::US8633212, 62::US9212153, 62 Beta-secretase 1 Homo sapiens 936 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197021 199994995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806533 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-30-23(31)15-26(29-24(30)28)22-13-19(18-5-3-4-17(12-18)16-27)6-7-20(22)14-25(26)10-8-21(32-2)9-11-25/h3-7,12-13,21H,8-11,14-15H2,1-2H3,(H2,28,29)/t21-,25-,26? PFWUIIHFJCWRDR-AHQGXOPPSA-N 113280 US10336717, Compound 58::US8633212, 58::US9212153, 58 Beta-secretase 1 Homo sapiens 970 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197581 199994996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806534 COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccnc2)CC1 InChI=1S/C24H28N4O2/c1-28-21(29)14-24(27-22(28)25)20-12-16(18-4-3-11-26-15-18)5-6-17(20)13-23(24)9-7-19(30-2)8-10-23/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H2,25,27) VXWOTULKVKXBME-UHFFFAOYSA-N 113281 US10336717, Compound 59::US8633212, 59::US9212153, 59 Beta-secretase 1 Homo sapiens 1555 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927333 199994997 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806535 CN1O[C@]2(N=C1N)c1cc(ccc1C[C@]21CCc2ccccc2C1)-c1cccc(c1)C#N InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)/t26-,27-/m1/s1 MSYXYCKNYXJRHO-KAYWLYCHSA-N 113282 US10336717, Compound 60::US8633212, 60::US9212153, 60 Beta-secretase 1 Homo sapiens 1856 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197252 199994998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806536 CN1OC2(N=C1N)c1cc(ccc1CC21Cc2cccc3cccc(C1)c23)-c1cccc(c1)C#N InChI=1S/C30H24N4O/c1-34-28(32)33-30(35-34)26-14-22(21-8-2-5-19(13-21)18-31)11-12-23(26)15-29(30)16-24-9-3-6-20-7-4-10-25(17-29)27(20)24/h2-14H,15-17H2,1H3,(H2,32,33) AGQAGAZDTWQTID-UHFFFAOYSA-N 195441 US10336717, Compound 61::US9212153, 61 Beta-secretase 1 Homo sapiens 3262 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197989 318151104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806537 CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24? WGLDRGVBLRCVPG-MNZGCLKASA-N 113279 US10336717, Compound 62::US8633212, 57::US8633212, 62::US9212153, 62 Beta-secretase 1 Homo sapiens 4106 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197021 199994995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806538 CN1OC2(N=C1N)c1cc(ccc1CCC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C29H28N4O/c1-33-27(31)32-29(34-33)26-18-25(24-8-4-5-20(17-24)19-30)10-9-23(26)13-16-28(29)14-11-21-6-2-3-7-22(21)12-15-28/h2-10,17-18H,11-16H2,1H3,(H2,31,32) GWWCGICESDTPKG-UHFFFAOYSA-N 113285 US10336717, Compound 63::US8633212, 63 Beta-secretase 1 Homo sapiens 5054 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198156 199995001 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806539 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1 InChI=1S/C19H24BrN3O2/c1-23-16(24)11-19(22-17(23)21)15-9-13(20)4-3-12(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10-11H2,1-2H3,(H2,21,22)/t14-,18-,19? MCQFTCPFMYIOBK-FGWLZILTSA-N 113286 US10336717, Compound 64::US8633212, 64::US9212153, 64 Beta-secretase 1 Homo sapiens 36245 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927332 199995002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806540 CO[C@H]1CC[C@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C26H28N4O2/c1-30-23(31)15-26(29-24(30)28)22-13-19(18-5-3-4-17(12-18)16-27)6-7-20(22)14-25(26)10-8-21(32-2)9-11-25/h3-7,12-13,21H,8-11,14-15H2,1-2H3,(H2,28,29)/t21-,25+,26? PFWUIIHFJCWRDR-OILLYGADSA-N 113287 US10336717, Compound 65::US8633212, 65::US9212153, 65 Beta-secretase 1 Homo sapiens 50000 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197581 199995003 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806541 CO[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1 InChI=1S/C19H24BrN3O2/c1-23-16(24)11-19(22-17(23)21)15-9-13(20)4-3-12(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10-11H2,1-2H3,(H2,21,22)/t14-,18+,19? MCQFTCPFMYIOBK-GDOSBZBXSA-N 113288 US10336717, Compound 66::US8633212, 66::US9212153, 66 Beta-secretase 1 Homo sapiens 200000 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927332 199995004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806542 CN1OC2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 InChI=1S/C20H20BrN3O2/c1-24-18(22)23-20(26-24)16-12-15(21)6-7-17(16)25-19(20)10-8-13-4-2-3-5-14(13)9-11-19/h2-7,12H,8-11H2,1H3,(H2,22,23) DMRMCCPIFVLESW-UHFFFAOYSA-N 113289 US10336717, Compound 67::US8633212, 67 Beta-secretase 1 Homo sapiens 138 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197770 199995005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806543 COC1CCC2(CC1)Oc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N InChI=1S/C23H24N4O3/c1-27-21(25)26-23(30-27)19-13-17(16-5-3-4-15(12-16)14-24)6-7-20(19)29-22(23)10-8-18(28-2)9-11-22/h3-7,12-13,18H,8-11H2,1-2H3,(H2,25,26) RKWNRQFUFJRELN-UHFFFAOYSA-N 195048 US10336717, Compound 68::US9212153, 103,Ex. 69 Beta-secretase 1 Homo sapiens 1779 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197231 318150778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806544 CN1OC2(CC3(CCOCC3)c3ccc(cc23)-c2cccc(c2)C#N)N=C1N InChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)14-21(7-9-27-10-8-21)18-6-5-17(12-19(18)22)16-4-2-3-15(11-16)13-23/h2-6,11-12H,7-10,14H2,1H3,(H2,24,25) DGVFBBOFIWQCGC-UHFFFAOYSA-N 113291 US10336717, Compound 69::US8633212, 69::US9212153, 69 Beta-secretase 1 Homo sapiens 4702 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927168 199995007 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806545 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25) USHFPDQMSUANTM-UHFFFAOYSA-N 113298 US10336717, Compound 76::US8633212, 76::US9212153, 76 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197109 199995014 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806546 CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28) JHQHHCUZYLLSKH-UHFFFAOYSA-N 113304 US10336717, Compound 82::US8633212, 82::US9212153, 82 Beta-secretase 1 Homo sapiens 432 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197987 199995020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806547 CN1OC2(N=C1N)c1cc(ccc1CC21CCCCC1)-c1cccc(c1)C#N InChI=1S/C23H24N4O/c1-27-21(25)26-23(28-27)20-13-18(17-7-5-6-16(12-17)15-24)8-9-19(20)14-22(23)10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,14H2,1H3,(H2,25,26) GQGCEPRAQMNBHM-UHFFFAOYSA-N 403821 US10336717, Compound 94 Beta-secretase 1 Homo sapiens 222 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219822 405255269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806548 COC1CCC2(Cc3ccc(Br)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C17H22BrN3O2/c1-21-15(19)20-17(23-21)14-9-12(18)4-3-11(14)10-16(17)7-5-13(22-2)6-8-16/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20) HNFROVVMIDYSEZ-UHFFFAOYSA-N 195041 US10336717, Compound 108::US9212153, 95,Ex. 62 Beta-secretase 1 Homo sapiens 137 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196988 318150772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806549 CC(C)(C)[Si](OC1CCC2(Cc3ccc(cc3C2=O)-c2cccc(c2)C#N)CC1)(c1ccccc1)c1ccccc1 InChI=1S/C37H37NO2Si/c1-36(2,3)41(32-13-6-4-7-14-32,33-15-8-5-9-16-33)40-31-19-21-37(22-20-31)25-30-18-17-29(24-34(30)35(37)39)28-12-10-11-27(23-28)26-38/h4-18,23-24,31H,19-22,25H2,1-3H3 LHHCMGPGHWPJIU-UHFFFAOYSA-N 403823 US10336717, Compound 96 Beta-secretase 1 Homo sapiens 28.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047195 405255270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806550 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)NCC(F)(F)F)-c1cccc(c1)C#N InChI=1S/C25H26F3N5O/c1-33-22(30)32-25(34-33)21-12-18(17-4-2-3-16(11-17)14-29)5-6-19(21)13-23(25)9-7-20(8-10-23)31-15-24(26,27)28/h2-6,11-12,20,31H,7-10,13,15H2,1H3,(H2,30,32) HYPSDGXEQHBLNJ-UHFFFAOYSA-N 403824 US10336717, Compound 97 Beta-secretase 1 Homo sapiens 3881 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219801 405255271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806551 CN1OC2(N=C1N)c1cc(ccc1CC21CC[C@@H](CC1)NCC(F)(F)F)-c1cccc(c1)C#N InChI=1S/C25H26F3N5O/c1-33-22(30)32-25(34-33)21-12-18(17-4-2-3-16(11-17)14-29)5-6-19(21)13-23(25)9-7-20(8-10-23)31-15-24(26,27)28/h2-6,11-12,20,31H,7-10,13,15H2,1H3,(H2,30,32)/t20-,23?,25? HYPSDGXEQHBLNJ-WCYFXOCASA-N 403825 US10336717, Compound 98 Beta-secretase 1 Homo sapiens 3323 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219801 405255272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806552 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)C#CC1CC1 InChI=1S/C22H25F2N3O2/c1-27-20(25)26-22(29-27)18-12-15(5-4-14-2-3-14)6-7-16(18)13-21(22)10-8-17(9-11-21)28-19(23)24/h6-7,12,14,17,19H,2-3,8-11,13H2,1H3,(H2,25,26) JMJNGNODBHWNRG-UHFFFAOYSA-N 195506 US10336717, Compound 99::US9212153, 99,Ex. 65 Beta-secretase 1 Homo sapiens 2.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219847 318151149 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806553 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)-c1cccc(c1)C#N InChI=1S/C24H24F2N4O2/c1-30-22(28)29-24(32-30)20-12-17(16-4-2-3-15(11-16)14-27)5-6-18(20)13-23(24)9-7-19(8-10-23)31-21(25)26/h2-6,11-12,19,21H,7-10,13H2,1H3,(H2,28,29) WSGCNGZXBDSUGE-UHFFFAOYSA-N 403827 US10336717, Compound 100 Beta-secretase 1 Homo sapiens 4.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220213 405255273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806554 COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22ON(C(C)C)C(N)=N2)CC1 InChI=1S/C21H28F3N3O3/c1-13(2)27-18(25)26-21(30-27)17-10-16(29-12-20(22,23)24)5-4-14(17)11-19(21)8-6-15(28-3)7-9-19/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H2,25,26) TUQZNPZIJIOMOC-UHFFFAOYSA-N 195046 US10336717, Compound 101::US9212153, 101,Ex. 67 Beta-secretase 1 Homo sapiens 56.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391730 318150776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806555 CN1OC2(N=C1N)c1cc(ccc1OC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1 InChI=1S/C26H23ClFN3O2/c1-31-24(29)30-26(33-31)22-14-18(19-12-20(27)15-21(28)13-19)6-7-23(22)32-25(26)10-8-16-4-2-3-5-17(16)9-11-25/h2-7,12-15H,8-11H2,1H3,(H2,29,30) WRKJLKBNPYAIOF-UHFFFAOYSA-N 195047 US10336717, Compound 102::US9212153, 102,Ex. 68 Beta-secretase 1 Homo sapiens 14.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197967 318150777 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806556 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 InChI=1S/C24H26N4O2/c1-28-22(26)27-24(30-28)21-13-18(17-5-3-4-16(12-17)15-25)6-7-19(21)14-23(24)10-8-20(29-2)9-11-23/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,26,27) MYHADYIDHTWANE-UHFFFAOYSA-N 403830 US10336717, Compound 103 Beta-secretase 1 Homo sapiens 46.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198006 405255274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806557 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22BrN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) RZSSUBGVLTWUMX-UHFFFAOYSA-N 113253 US10336717, Compound 122::US8633212, 31::US9212153, 67 Beta-secretase 1 Homo sapiens 255 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197054 199994969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806558 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22BrN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) RZSSUBGVLTWUMX-UHFFFAOYSA-N 113253 US10336717, Compound 122::US8633212, 31::US9212153, 67 Beta-secretase 1 Homo sapiens 8.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197054 199994969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806559 Brc1ccc(CC2(CCc3ccccc3CC2)C#N)c(I)c1 InChI=1S/C19H17BrIN/c20-17-6-5-16(18(21)11-17)12-19(13-22)9-7-14-3-1-2-4-15(14)8-10-19/h1-6,11H,7-10,12H2 CCKDHPINHCFQQO-UHFFFAOYSA-N 403833 US10336717, Compound 106 Beta-secretase 1 Homo sapiens 5.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197918 405255275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806560 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnn2)CC1 InChI=1S/C21H25N5O2/c1-26-19(22)24-21(28-26)17-12-14(18-4-3-11-23-25-18)5-6-15(17)13-20(21)9-7-16(27-2)8-10-20/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,22,24) NJKPIMLATGKIER-UHFFFAOYSA-N 195052 US10336717, Compound 107::US9212153, 107,Ex. 73 Beta-secretase 1 Homo sapiens 228 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198280 318150782 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806561 COC1CCC2(Cc3ccc(Br)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C17H22BrN3O2/c1-21-15(19)20-17(23-21)14-9-12(18)4-3-11(14)10-16(17)7-5-13(22-2)6-8-16/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20) HNFROVVMIDYSEZ-UHFFFAOYSA-N 195041 US10336717, Compound 108::US9212153, 95,Ex. 62 Beta-secretase 1 Homo sapiens 156 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196988 318150772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806562 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cnccn2)CC1 InChI=1S/C21H25N5O2/c1-26-19(22)25-21(28-26)17-11-14(18-13-23-9-10-24-18)3-4-15(17)12-20(21)7-5-16(27-2)6-8-20/h3-4,9-11,13,16H,5-8,12H2,1-2H3,(H2,22,25) APYZHABPRFFPDY-UHFFFAOYSA-N 195054 US10336717, Compound 109::US9212153, 109,Ex. 75 Beta-secretase 1 Homo sapiens 23.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198198 318150784 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806563 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C21H29N3O3/c1-24-19(22)23-21(27-24)18-11-17(26-13-14-3-4-14)6-5-15(18)12-20(21)9-7-16(25-2)8-10-20/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H2,22,23) IIRSHWRFBYAKOT-UHFFFAOYSA-N 195055 US10336717, Compound 110::US9212153, 110,Ex. 76 Beta-secretase 1 Homo sapiens 14.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197491 318150785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806564 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cncc(OC)n2)CC1 InChI=1S/C22H27N5O3/c1-27-20(23)26-22(30-27)17-10-14(18-12-24-13-19(25-18)29-3)4-5-15(17)11-21(22)8-6-16(28-2)7-9-21/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H2,23,26) FMHJEZRGCYHVJP-UHFFFAOYSA-N 195056 US10336717, Compound 111::US9212153, 111,Ex. 77 Beta-secretase 1 Homo sapiens 196 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197645 318150786 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806565 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#Cc2ccccc2)CC1 InChI=1S/C25H27N3O2/c1-28-23(26)27-25(30-28)22-16-19(9-8-18-6-4-3-5-7-18)10-11-20(22)17-24(25)14-12-21(29-2)13-15-24/h3-7,10-11,16,21H,12-15,17H2,1-2H3,(H2,26,27) JKPLSWCUGWTDRH-UHFFFAOYSA-N 195057 US10336717, Compound 112::US9212153, 112,Ex. 78 Beta-secretase 1 Homo sapiens 80.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197674 318150787 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806566 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(C)(C)C)CC1 InChI=1S/C23H31N3O2/c1-21(2,3)11-8-16-6-7-17-15-22(12-9-18(27-5)10-13-22)23(19(17)14-16)25-20(24)26(4)28-23/h6-7,14,18H,9-10,12-13,15H2,1-5H3,(H2,24,25) GUXUSMIFEBFHNJ-UHFFFAOYSA-N 195058 US10336717, Compound 113::US9212153, 113,Ex. 79 Beta-secretase 1 Homo sapiens 24.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198243 318150788 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806567 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CCCC2)CC1 InChI=1S/C24H31N3O2/c1-27-22(25)26-24(29-27)21-15-18(8-7-17-5-3-4-6-17)9-10-19(21)16-23(24)13-11-20(28-2)12-14-23/h9-10,15,17,20H,3-6,11-14,16H2,1-2H3,(H2,25,26) FORXEMDGDAHICU-UHFFFAOYSA-N 195059 US10336717, Compound 114::US9212153, 114,Ex. 80 Beta-secretase 1 Homo sapiens 9.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198326 318150789 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806568 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(F)(F)F)CC1 InChI=1S/C20H22F3N3O2/c1-26-17(24)25-20(28-26)16-11-13(5-10-19(21,22)23)3-4-14(16)12-18(20)8-6-15(27-2)7-9-18/h3-4,11,15H,6-9,12H2,1-2H3,(H2,24,25) YNRXCFMDHIDMSG-UHFFFAOYSA-N 195061 US10336717, Compound 115::US9212153, 115,Ex. 81 Beta-secretase 1 Homo sapiens 3.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70218848 318150790 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806569 COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cncs2)CC1 InChI=1S/C20H24N4O2S/c1-24-18(21)23-20(26-24)16-9-13(17-11-22-12-27-17)3-4-14(16)10-19(20)7-5-15(25-2)6-8-19/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H2,21,23) FDOCGVFEEQBHAL-UHFFFAOYSA-N 195062 US10336717, Compound 116::US9212153, 116,Ex. 82 Beta-secretase 1 Homo sapiens 76.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197726 318150791 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806570 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C22H31N3O2/c1-25-20(23)24-22(27-25)19-13-16(6-5-15-3-4-15)7-8-17(19)14-21(22)11-9-18(26-2)10-12-21/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H2,23,24) GAEOZAGIDRVKPM-UHFFFAOYSA-N 195063 US10336717, Compound 117::US9212153, 117,Ex. 83 Beta-secretase 1 Homo sapiens 17.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197800 318150792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806571 COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C19H24F3N3O3/c1-25-16(23)24-19(28-25)15-9-14(27-11-18(20,21)22)4-3-12(15)10-17(19)7-5-13(26-2)6-8-17/h3-4,9,13H,5-8,10-11H2,1-2H3,(H2,23,24) HHXLHKBINLCCEK-UHFFFAOYSA-N 403845 US10336717, Compound 118 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403845&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220699 405255276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806572 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCC(Cc2ccccc2)CC1 InChI=1S/C23H26BrN3O/c1-27-21(25)26-23(28-27)20-14-19(24)8-7-18(20)15-22(23)11-9-17(10-12-22)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H2,25,26) VPZKDCLKUBKYFN-UHFFFAOYSA-N 403846 US10336717, Compound 119 Beta-secretase 1 Homo sapiens 2312 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403846&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197461 405255277 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806573 CN1OC2(N=C1N)c1cc(ccc1CC21CCC(Cc2ccccc2)CC1)-c1cccc(c1)C#N InChI=1S/C30H30N4O/c1-34-28(32)33-30(35-34)27-18-25(24-9-5-8-23(17-24)20-31)10-11-26(27)19-29(30)14-12-22(13-15-29)16-21-6-3-2-4-7-21/h2-11,17-18,22H,12-16,19H2,1H3,(H2,32,33) AJUXRFXPZUJIDR-UHFFFAOYSA-N 403847 US10336717, Compound 120 Beta-secretase 1 Homo sapiens 3505 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403847&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68392013 405255278 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806574 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnn1 InChI=1S/C25H25N5O/c1-30-23(26)28-25(31-30)21-15-19(22-7-4-14-27-29-22)8-9-20(21)16-24(25)12-10-17-5-2-3-6-18(17)11-13-24/h2-9,14-15H,10-13,16H2,1H3,(H2,26,28) MXFAQZDMAKROOV-UHFFFAOYSA-N 195066 US10336717, Compound 121::US9212153, 121,Ex. 86 Beta-secretase 1 Homo sapiens 56.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198317 318150795 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806575 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C21H22BrN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24) RZSSUBGVLTWUMX-UHFFFAOYSA-N 113253 US10336717, Compound 122::US8633212, 31::US9212153, 67 Beta-secretase 1 Homo sapiens 42.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197054 199994969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806576 COC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1C21NC(=S)N(C)C1=O InChI=1S/C22H28N2O3S/c1-24-19(25)22(23-20(24)28)17-13-15(6-5-14-3-4-14)7-8-18(17)27-21(22)11-9-16(26-2)10-12-21/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,23,28) YPOFWRGUWJKYHS-UHFFFAOYSA-N 403850 US10336717, Compound 124 Beta-secretase 1 Homo sapiens 21.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403850&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197831 405255279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806577 COC1CCC2(CC1)Oc1ccc(Br)cc1C21NC(=S)N(C)C1=O InChI=1S/C17H19BrN2O3S/c1-20-14(21)17(19-15(20)24)12-9-10(18)3-4-13(12)23-16(17)7-5-11(22-2)6-8-16/h3-4,9,11H,5-8H2,1-2H3,(H,19,24) KUJLNTFJNZCJPB-UHFFFAOYSA-N 403851 US10336717, Compound 125 Beta-secretase 1 Homo sapiens 264 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403851&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197615 405255280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806578 COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)C1=O InChI=1S/C17H20BrN3O3/c1-21-14(22)17(20-15(21)19)12-9-10(18)3-4-13(12)24-16(17)7-5-11(23-2)6-8-16/h3-4,9,11H,5-8H2,1-2H3,(H2,19,20) XFTXOVBUZBRHQH-UHFFFAOYSA-N 195505 US10336717, Compound 130::US9212153, 125,Ex. 90 Beta-secretase 1 Homo sapiens 31.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197116 318151148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806579 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)N(C)C1=O)-c1cccc(c1)C#N InChI=1S/C24H24N4O3/c1-28-21(29)24(27-22(28)26)19-13-17(16-5-3-4-15(12-16)14-25)6-7-20(19)31-23(24)10-8-18(30-2)9-11-23/h3-7,12-13,18H,8-11H2,1-2H3,(H2,26,27) FJNLREUKOCHQPM-UHFFFAOYSA-N 195070 US10336717, Compound 127::US9212153, 127,Ex. 92 Beta-secretase 1 Homo sapiens 14.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197074 318150798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806580 COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)C1=O InChI=1S/C17H20BrN3O3/c1-21-14(22)17(20-15(21)19)12-9-10(18)3-4-13(12)24-16(17)7-5-11(23-2)6-8-16/h3-4,9,11H,5-8H2,1-2H3,(H2,19,20) XFTXOVBUZBRHQH-UHFFFAOYSA-N 195505 US10336717, Compound 130::US9212153, 125,Ex. 90 Beta-secretase 1 Homo sapiens 1198 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197116 318151148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806581 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)N(C)C1=O)-c1cccc(OC)c1 InChI=1S/C24H27N3O4/c1-27-21(28)24(26-22(27)25)19-14-16(15-5-4-6-18(13-15)30-3)7-8-20(19)31-23(24)11-9-17(29-2)10-12-23/h4-8,13-14,17H,9-12H2,1-3H3,(H2,25,26) OIMLFGYFYXBVIR-UHFFFAOYSA-N 195502 US10336717, Compound 129::US9212153, 129,Ex. 94 Beta-secretase 1 Homo sapiens 28.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195502&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198056 318151145 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806582 COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)C1=O InChI=1S/C17H20BrN3O3/c1-21-14(22)17(20-15(21)19)12-9-10(18)3-4-13(12)24-16(17)7-5-11(23-2)6-8-16/h3-4,9,11H,5-8H2,1-2H3,(H2,19,20) XFTXOVBUZBRHQH-UHFFFAOYSA-N 195505 US10336717, Compound 130::US9212153, 125,Ex. 90 Beta-secretase 1 Homo sapiens 69.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197116 318151148 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806583 COC1CCC2(CC1)Oc1ccc(OCC3CC3)cc1C21NC(=S)N(C)C1=O InChI=1S/C21H26N2O4S/c1-23-18(24)21(22-19(23)28)16-11-15(26-12-13-3-4-13)5-6-17(16)27-20(21)9-7-14(25-2)8-10-20/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H,22,28) OFFBONOGRKDWBS-UHFFFAOYSA-N 403857 US10336717, Compound 132 Beta-secretase 1 Homo sapiens 24.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403857&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88216908 405255281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806584 COC1CCC2(CC1)Oc1ccc(OCC(F)(F)F)cc1C21NC(=S)N(C)C1=O InChI=1S/C19H21F3N2O4S/c1-24-15(25)19(23-16(24)29)13-9-12(27-10-18(20,21)22)3-4-14(13)28-17(19)7-5-11(26-2)6-8-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,29) YTQFRSDSVQAUJU-UHFFFAOYSA-N 403858 US10336717, Compound 133 Beta-secretase 1 Homo sapiens 38.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403858&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88216650 405255282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806585 COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(SC)N(C)C2=O)CC1 InChI=1S/C21H25F3N2O3S/c1-26-17(27)21(25-18(26)30-3)16-10-15(29-12-20(22,23)24)5-4-13(16)11-19(21)8-6-14(28-2)7-9-19/h4-5,10,14H,6-9,11-12H2,1-3H3 AQOVIRSKVQJTFH-UHFFFAOYSA-N 403859 US10336717, Compound 134 Beta-secretase 1 Homo sapiens 14.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403859&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70218874 405255283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806586 CCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(c1)C#N InChI=1S/C26H28N4O2/c1-3-30-23(31)26(29-24(30)28)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(32-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,29) GGFKADSGLCZWRD-UHFFFAOYSA-N 195086 US10336717, Compound 135::US9212153, 135,Ex. 100 Beta-secretase 1 Homo sapiens 7.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195086&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197584 318150803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806587 CCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(Cl)c1 InChI=1S/C25H28ClN3O2/c1-3-29-22(30)25(28-23(29)27)21-14-17(16-5-4-6-19(26)13-16)7-8-18(21)15-24(25)11-9-20(31-2)10-12-24/h4-8,13-14,20H,3,9-12,15H2,1-2H3,(H2,27,28) UUGYFDSQYNYLOD-UHFFFAOYSA-N 195087 US10336717, Compound 136::US9212153, 136,Ex. 101 Beta-secretase 1 Homo sapiens 8.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197719 318150804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806588 CCSC1=NC2(C(=O)N1CC)c1cc(OCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C25H34N2O3S/c1-4-27-22(28)25(26-23(27)31-5-2)21-14-20(30-16-17-6-7-17)9-8-18(21)15-24(25)12-10-19(29-3)11-13-24/h8-9,14,17,19H,4-7,10-13,15-16H2,1-3H3 BSQMXSOHZRGHEK-UHFFFAOYSA-N 403862 US10336717, Compound 137 Beta-secretase 1 Homo sapiens 7.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403862&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70217147 405255284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806589 CCSC1=NC2(C(=O)N1CC)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 InChI=1S/C26H32N2O2S/c1-4-28-23(29)26(27-24(28)31-5-2)22-16-19(9-8-18-6-7-18)10-11-20(22)17-25(26)14-12-21(30-3)13-15-25/h10-11,16,18,21H,4-7,12-15,17H2,1-3H3 GCDKJFZKFNAOKF-UHFFFAOYSA-N 403863 US10336717, Compound 138 Beta-secretase 1 Homo sapiens 15.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403863&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197582 405255285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806590 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(Cc3ccccc3)C2=O)CC1 InChI=1S/C24H25BrN2O2S/c1-29-19-9-11-23(12-10-19)14-17-7-8-18(25)13-20(17)24(23)21(28)27(22(30)26-24)15-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,30) VKNAFXKCYBWXBX-UHFFFAOYSA-N 403864 US10336717, Compound 139 Beta-secretase 1 Homo sapiens 13.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197089 405255286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806591 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)-c2cncc(F)c2)CC1 InChI=1S/C29H29FN4O2/c1-36-24-9-11-28(12-10-24)15-21-8-7-20(22-13-23(30)17-32-16-22)14-25(21)29(28)26(35)34(27(31)33-29)18-19-5-3-2-4-6-19/h2-8,13-14,16-17,24H,9-12,15,18H2,1H3,(H2,31,33) KBGREOXGBNCBTQ-UHFFFAOYSA-N 195091 US10336717, Compound 140::US9212153, 140,Ex. 105 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197670 318150808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806592 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)-c2cncs2)CC1 InChI=1S/C27H28N4O2S/c1-33-21-9-11-26(12-10-21)14-20-8-7-19(23-15-29-17-34-23)13-22(20)27(26)24(32)31(25(28)30-27)16-18-5-3-2-4-6-18/h2-8,13,15,17,21H,9-12,14,16H2,1H3,(H2,28,30) ZBVLOFGSWBZQOS-UHFFFAOYSA-N 195092 US10336717, Compound 141::US9212153, 141,Ex. 106 Beta-secretase 1 Homo sapiens 12.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197973 318150809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806593 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 InChI=1S/C29H31N3O2/c1-34-24-13-15-28(16-14-24)18-23-12-11-21(10-9-20-7-8-20)17-25(23)29(28)26(33)32(27(30)31-29)19-22-5-3-2-4-6-22/h2-6,11-12,17,20,24H,7-8,13-16,18-19H2,1H3,(H2,30,31) OCJUCBYTOAXWSR-UHFFFAOYSA-N 195093 US10336717, Compound 142::US9212153, 142,Ex. 107 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195093&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197452 318150810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806594 COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 InChI=1S/C29H31N3O2/c1-34-24-13-15-28(16-14-24)18-23-12-11-21(10-9-20-7-8-20)17-25(23)29(28)26(33)32(27(30)31-29)19-22-5-3-2-4-6-22/h2-6,11-12,17,20,24H,7-8,13-16,18-19H2,1H3,(H2,30,31)/t24?,28?,29-/m0/s1 OCJUCBYTOAXWSR-KEEXFBPLSA-N 195094 US10336717, Compound 143::US9212153, 143,Ex. 108 Beta-secretase 1 Homo sapiens 706 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195094&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197924 318150811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806595 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 InChI=1S/C29H31N3O2/c1-34-24-13-15-28(16-14-24)18-23-12-11-21(10-9-20-7-8-20)17-25(23)29(28)26(33)32(27(30)31-29)19-22-5-3-2-4-6-22/h2-6,11-12,17,20,24H,7-8,13-16,18-19H2,1H3,(H2,30,31)/t24?,28?,29-/m1/s1 OCJUCBYTOAXWSR-DXIQOCIQSA-N 195512 US10336717, Compound 144::US9212153, 144,Ex. 108 Beta-secretase 1 Homo sapiens 18.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197509 318151155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806596 COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#Cc2ccccc2)CC1 InChI=1S/C27H28N2O2S/c1-29-24(30)27(28-25(29)32-3)23-17-20(10-9-19-7-5-4-6-8-19)11-12-21(23)18-26(27)15-13-22(31-2)14-16-26/h4-8,11-12,17,22H,13-16,18H2,1-3H3 UITWCHKQTYZOSE-UHFFFAOYSA-N 403870 US10336717, Compound 145 Beta-secretase 1 Homo sapiens 16.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197415 405255287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806597 COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC(C)(C)C)CC1 InChI=1S/C25H32N2O2S/c1-23(2,3)12-9-17-7-8-18-16-24(13-10-19(29-5)11-14-24)25(20(18)15-17)21(28)27(4)22(26-25)30-6/h7-8,15,19H,10-11,13-14,16H2,1-6H3 JZHXFAONVILVIM-UHFFFAOYSA-N 403871 US10336717, Compound 146 Beta-secretase 1 Homo sapiens 7.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198356 405255288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806598 COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC2CCCC2)CC1 InChI=1S/C26H32N2O2S/c1-28-23(29)26(27-24(28)31-3)22-16-19(9-8-18-6-4-5-7-18)10-11-20(22)17-25(26)14-12-21(30-2)13-15-25/h10-11,16,18,21H,4-7,12-15,17H2,1-3H3 UEWWEEIEBBDOGV-UHFFFAOYSA-N 403872 US10336717, Compound 147 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198044 405255289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806599 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H31N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H2,24,25) BQUBZDBGLJUIQX-UHFFFAOYSA-N 195097 US10336717, Compound 148::US9212153, 148,Ex. 112 Beta-secretase 1 Homo sapiens 5.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197764 318150814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806600 CCOC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C25H30N2O2S/c1-4-29-20-11-13-24(14-12-20)16-19-10-9-18(8-7-17-5-6-17)15-21(19)25(24)22(28)27(2)23(26-25)30-3/h9-10,15,17,20H,4-6,11-14,16H2,1-3H3 REAGVPDVGSGFRE-UHFFFAOYSA-N 403874 US10336717, Compound 149 Beta-secretase 1 Homo sapiens 4.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198226 405255290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806601 CSC1=NC2(C(=O)N1C)c1cc(ccc1CC21CCC(O)CC1)C#CC1CC1 InChI=1S/C23H26N2O2S/c1-25-20(27)23(24-21(25)28-2)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(26)10-12-22/h7-8,13,15,18,26H,3-4,9-12,14H2,1-2H3 KZIDTAHZCYMACY-UHFFFAOYSA-N 403875 US10336717, Compound 150 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68392015 405255291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806602 CSC1=NC2(C(=O)N1C)c1cc(ccc1CC21CC[C@H](O)CC1)C#CC1CC1 InChI=1S/C23H26N2O2S/c1-25-20(27)23(24-21(25)28-2)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(26)10-12-22/h7-8,13,15,18,26H,3-4,9-12,14H2,1-2H3/t18-,22?,23? KZIDTAHZCYMACY-NEODQFLGSA-N 403876 US10336717, Compound 151 Beta-secretase 1 Homo sapiens 207 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68392015 405255292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806603 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C(C)C)C2=O)CC1 InChI=1S/C20H25BrN2O2S/c1-12(2)23-17(24)20(22-18(23)26)16-10-14(21)5-4-13(16)11-19(20)8-6-15(25-3)7-9-19/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,22,26) BIIKWKINIPQVTG-UHFFFAOYSA-N 403877 US10336717, Compound 152 Beta-secretase 1 Homo sapiens 104 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197036 405255293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806604 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cccc(Cl)c2)CC1 InChI=1S/C26H30ClN3O2/c1-16(2)30-23(31)26(29-24(30)28)22-14-18(17-5-4-6-20(27)13-17)7-8-19(22)15-25(26)11-9-21(32-3)10-12-25/h4-8,13-14,16,21H,9-12,15H2,1-3H3,(H2,28,29) QOVBNTCTENGLMM-UHFFFAOYSA-N 195101 US10336717, Compound 153::US9212153, 160,Ex. 123 Beta-secretase 1 Homo sapiens 36.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195101&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197667 318150818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806605 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C27H30N4O2/c1-17(2)31-24(32)27(30-25(31)29)23-14-20(19-6-4-5-18(13-19)16-28)7-8-21(23)15-26(27)11-9-22(33-3)10-12-26/h4-8,13-14,17,22H,9-12,15H2,1-3H3,(H2,29,30) PHPCWCQQZNAGLR-UHFFFAOYSA-N 195498 US10336717, Compound 154::US9212153, 154,Ex. 117 Beta-secretase 1 Homo sapiens 30.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70218556 318151141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806606 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C26H29F3N4O2/c1-15(2)33-22(34)25(32-23(33)30)21-11-16(18-10-19(14-31-13-18)26(27,28)29)4-5-17(21)12-24(25)8-6-20(35-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,30,32) KVZQZJUKUARQSZ-UHFFFAOYSA-N 195497 US10336717, Compound 155::US9212153, 155,Ex. 118 Beta-secretase 1 Homo sapiens 12.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197396 318151140 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806607 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cncc(c2)C#N)CC1 InChI=1S/C26H29N5O2/c1-16(2)31-23(32)26(30-24(31)28)22-11-18(20-10-17(13-27)14-29-15-20)4-5-19(22)12-25(26)8-6-21(33-3)7-9-25/h4-5,10-11,14-16,21H,6-9,12H2,1-3H3,(H2,28,30) WOIFPJSSHHOWHG-UHFFFAOYSA-N 195496 US10336717, Compound 156::US9212153, 156,Ex. 119 Beta-secretase 1 Homo sapiens 12.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70218581 318151139 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806608 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C20H26BrN3O2/c1-12(2)24-17(25)20(23-18(24)22)16-10-14(21)5-4-13(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,12,15H,6-9,11H2,1-3H3,(H2,22,23) TWFKOPLPVPKJAO-UHFFFAOYSA-N 195500 US10336717, Compound 158::US9212153, 152,Ex. 115 Beta-secretase 1 Homo sapiens 343 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197043 318151143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806609 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C20H26BrN3O2/c1-12(2)24-17(25)20(23-18(24)22)16-10-14(21)5-4-13(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,12,15H,6-9,11H2,1-3H3,(H2,22,23) TWFKOPLPVPKJAO-UHFFFAOYSA-N 195500 US10336717, Compound 158::US9212153, 152,Ex. 115 Beta-secretase 1 Homo sapiens 49.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197043 318151143 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806610 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cccc(c2)S(C)(=O)=O)CC1 InChI=1S/C27H33N3O4S/c1-17(2)30-24(31)27(29-25(30)28)23-15-19(18-6-5-7-22(14-18)35(4,32)33)8-9-20(23)16-26(27)12-10-21(34-3)11-13-26/h5-9,14-15,17,21H,10-13,16H2,1-4H3,(H2,28,29) ASQSKUZKDPXNAK-UHFFFAOYSA-N 195100 US10336717, Compound 159::US9212153, 159,Ex. 122 Beta-secretase 1 Homo sapiens 83.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195100&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197939 318150817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806611 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2ccnc(Cl)c2)CC1 InChI=1S/C25H29ClN4O2/c1-15(2)30-22(31)25(29-23(30)27)20-12-16(17-8-11-28-21(26)13-17)4-5-18(20)14-24(25)9-6-19(32-3)7-10-24/h4-5,8,11-13,15,19H,6-7,9-10,14H2,1-3H3,(H2,27,29) RQTITYJLCBHDPV-UHFFFAOYSA-N 403885 US10336717, Compound 160 Beta-secretase 1 Homo sapiens 53.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197446 405255294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806612 CO[C@H]1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C(C)C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C26H29F3N4O2/c1-15(2)33-22(34)25(32-23(33)30)21-11-16(18-10-19(14-31-13-18)26(27,28)29)4-5-17(21)12-24(25)8-6-20(35-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,30,32)/t20-,24?,25-/m1/s1 KVZQZJUKUARQSZ-CLIADVIRSA-N 403886 US10336717, Compound 161 Beta-secretase 1 Homo sapiens 4.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391741 405255295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806613 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C(C)C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C26H29F3N4O2/c1-15(2)33-22(34)25(32-23(33)30)21-11-16(18-10-19(14-31-13-18)26(27,28)29)4-5-17(21)12-24(25)8-6-20(35-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,30,32)/t20?,24?,25-/m1/s1 KVZQZJUKUARQSZ-LRARRHDQSA-N 195103 US10336717, Compound 162::US9212153, 161,Ex. 124 Beta-secretase 1 Homo sapiens 631 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391741 318150819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806614 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cncc(Cl)c2)CC1 InChI=1S/C25H29ClN4O2/c1-15(2)30-22(31)25(29-23(30)27)21-11-16(18-10-19(26)14-28-13-18)4-5-17(21)12-24(25)8-6-20(32-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,27,29) IEYSGHASPXBCSY-UHFFFAOYSA-N 195104 US10336717, Compound 163::US9212153, 163,Ex. 125 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195104&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198166 318150820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806615 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cncc(F)c2)CC1 InChI=1S/C25H29FN4O2/c1-15(2)30-22(31)25(29-23(30)27)21-11-16(18-10-19(26)14-28-13-18)4-5-17(21)12-24(25)8-6-20(32-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,27,29) FRDRGYVEHBZHEZ-UHFFFAOYSA-N 195105 US10336717, Compound 164::US9212153, 164,Ex. 126 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195105&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198085 318150821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806616 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C(C)C)C2=O)-c2cncc(c2)C#CC)CC1 InChI=1S/C28H31N3O2S/c1-5-6-19-13-22(17-29-16-19)20-7-8-21-15-27(11-9-23(33-4)10-12-27)28(24(21)14-20)25(32)31(18(2)3)26(34)30-28/h7-8,13-14,16-18,23H,9-12,15H2,1-4H3,(H,30,34) LOFQRJJJOKLTIO-UHFFFAOYSA-N 403890 US10336717, Compound 166 Beta-secretase 1 Homo sapiens 11.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198157 405255296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806617 CCCc1cncc(c1)-c1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C28H36N4O2/c1-5-6-19-13-22(17-30-16-19)20-7-8-21-15-27(11-9-23(34-4)10-12-27)28(24(21)14-20)25(33)32(18(2)3)26(29)31-28/h7-8,13-14,16-18,23H,5-6,9-12,15H2,1-4H3,(H2,29,31) KAULZVPKKHLULA-UHFFFAOYSA-N 195108 US10336717, Compound 167::US9212153, 167,Ex. 129 Beta-secretase 1 Homo sapiens 42.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195108&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197577 318150823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806618 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C(C)C)C2=O)-c2cc(Br)cs2)CC1 InChI=1S/C24H27BrN2O2S2/c1-14(2)27-21(28)24(26-22(27)30)19-10-15(20-11-17(25)13-31-20)4-5-16(19)12-23(24)8-6-18(29-3)7-9-23/h4-5,10-11,13-14,18H,6-9,12H2,1-3H3,(H,26,30) RMIVNWLPVARFOW-UHFFFAOYSA-N 403892 US10336717, Compound 168 Beta-secretase 1 Homo sapiens 29.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197555 405255297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806619 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cc(Br)cs2)CC1 InChI=1S/C24H28BrN3O2S/c1-14(2)28-21(29)24(27-22(28)26)19-10-15(20-11-17(25)13-31-20)4-5-16(19)12-23(24)8-6-18(30-3)7-9-23/h4-5,10-11,13-14,18H,6-9,12H2,1-3H3,(H2,26,27) AYYWXTFPNRRIRL-UHFFFAOYSA-N 195109 US10336717, Compound 169::US9212153, 168,Ex. 130 Beta-secretase 1 Homo sapiens 20.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195109&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197964 318150824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806620 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C(C)C)C2=O)-c2nc(Br)cs2)CC1 InChI=1S/C23H26BrN3O2S2/c1-13(2)27-20(28)23(26-21(27)30)17-10-14(19-25-18(24)12-31-19)4-5-15(17)11-22(23)8-6-16(29-3)7-9-22/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,26,30) QQQZBFFWAKSRSR-UHFFFAOYSA-N 403894 US10336717, Compound 170 Beta-secretase 1 Homo sapiens 89.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198099 405255298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806621 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2nc(Br)cs2)CC1 InChI=1S/C23H27BrN4O2S/c1-13(2)28-20(29)23(27-21(28)25)17-10-14(19-26-18(24)12-31-19)4-5-15(17)11-22(23)8-6-16(30-3)7-9-22/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H2,25,27) RTYBWXCYETZJMN-UHFFFAOYSA-N 195111 US10336717, Compound 171::US9212153, 170,Ex. 132 Beta-secretase 1 Homo sapiens 55.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197778 318150826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806622 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H27N3O2S/c1-4-5-17-12-20(16-27-15-17)18-6-7-19-14-25(10-8-21(31-3)9-11-25)26(22(19)13-18)23(30)29(2)24(32)28-26/h6-7,12-13,15-16,21H,8-11,14H2,1-3H3,(H,28,32) WMKLAPKUBGJJAA-UHFFFAOYSA-N 403896 US10336717, Compound 172 Beta-secretase 1 Homo sapiens 7.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198173 405255299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806623 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22NC(=S)N(C(C)C)C2=O)CC1 InChI=1S/C24H32N2O3S/c1-15(2)26-21(27)24(25-22(26)30)20-12-19(29-14-16-4-5-16)7-6-17(20)13-23(24)10-8-18(28-3)9-11-23/h6-7,12,15-16,18H,4-5,8-11,13-14H2,1-3H3,(H,25,30) IWPPGKTYOSKAGG-UHFFFAOYSA-N 403897 US10336717, Compound 173 Beta-secretase 1 Homo sapiens 16.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197356 405255300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806624 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22NC(=S)N(C(C)C)C2=O)CC1 InChI=1S/C24H32N2O3S/c1-15(2)26-21(27)24(25-22(26)30)20-12-19(29-14-16-4-5-16)7-6-17(20)13-23(24)10-8-18(28-3)9-11-23/h6-7,12,15-16,18H,4-5,8-11,13-14H2,1-3H3,(H,25,30) IWPPGKTYOSKAGG-UHFFFAOYSA-N 403898 US10336717, Compound 174 Beta-secretase 1 Homo sapiens 23.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197356 405255301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806625 CO[C@H]1CCC2(Cc3ccc(OCC4CC4)cc3C22NC(=S)N(C(C)C)C2=O)CC1 InChI=1S/C24H32N2O3S/c1-15(2)26-21(27)24(25-22(26)30)20-12-19(29-14-16-4-5-16)7-6-17(20)13-23(24)10-8-18(28-3)9-11-23/h6-7,12,15-16,18H,4-5,8-11,13-14H2,1-3H3,(H,25,30)/t18-,23?,24? IWPPGKTYOSKAGG-IIUFJBSDSA-N 403899 US10336717, Compound 175 Beta-secretase 1 Homo sapiens 851 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197356 405255302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806626 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(Cl)c2)CC1 InChI=1S/C24H26ClN3O2/c1-28-21(29)24(27-22(28)26)20-13-16(15-4-3-5-18(25)12-15)6-7-17(20)14-23(24)10-8-19(30-2)9-11-23/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,26,27) ZGMXAXRVEMIDBS-UHFFFAOYSA-N 195117 US10336717, Compound 177::US9212153, 177,Ex. 138 Beta-secretase 1 Homo sapiens 1.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195117&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197028 318150831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806627 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(Cl)c2)CC1 InChI=1S/C24H25ClFN3O2/c1-29-21(30)24(28-22(29)27)18-11-14(15-5-6-20(26)19(25)12-15)3-4-16(18)13-23(24)9-7-17(31-2)8-10-23/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,27,28) ZDZZAOGPIAODTP-UHFFFAOYSA-N 195118 US10336717, Compound 178::US9212153, 178,Ex. 139 Beta-secretase 1 Homo sapiens 0.600 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198238 318150832 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806628 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(c2)C#N)CC1 InChI=1S/C25H25FN4O2/c1-30-22(31)25(29-23(30)28)20-12-16(15-5-6-21(26)18(11-15)14-27)3-4-17(20)13-24(25)9-7-19(32-2)8-10-24/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,28,29) NGDMMAMORNIVDN-UHFFFAOYSA-N 195119 US10336717, Compound 179::US9212153, 179,Ex. 140 Beta-secretase 1 Homo sapiens 2.60 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197553 318150833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806629 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(cc(c2)C#N)C#N)CC1 InChI=1S/C26H25N5O2/c1-31-23(32)26(30-24(31)29)22-12-18(20-10-16(14-27)9-17(11-20)15-28)3-4-19(22)13-25(26)7-5-21(33-2)6-8-25/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,29,30) UTHNJSLSUYRNFQ-UHFFFAOYSA-N 403903 US10336717, Compound 180 Beta-secretase 1 Homo sapiens 1.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220334 405255303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806630 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(c2)C(F)(F)F)CC1 InChI=1S/C25H25F4N3O2/c1-32-21(33)24(31-22(32)30)20-11-14(16-9-17(25(27,28)29)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(34-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,30,31) LUZCNSRODOSPRS-UHFFFAOYSA-N 195121 US10336717, Compound 181::US9212153, 181,Ex. 142 Beta-secretase 1 Homo sapiens 198 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195121&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90287613 318150835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806631 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1 InChI=1S/C24H25Cl2N3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28) RBGRXZBWCKNUHT-UHFFFAOYSA-N 195122 US10336717, Compound 182::US9212153, 182,Ex. 143 Beta-secretase 1 Homo sapiens 57.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195122&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197342 318150836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806632 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(F)c2)CC1 InChI=1S/C24H25F2N3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28) QFIGKTNJVRXQEY-UHFFFAOYSA-N 195123 US10336717, Compound 183::US9212153, 183,Ex. 144 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197467 318150837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806633 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21) RVLIRWFNCYASBC-UHFFFAOYSA-N 195151 US10336717, Compound 205::US9212153, 214,Ex. 173 Beta-secretase 1 Homo sapiens 3.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196972 318150863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806634 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C24H25F3N4O2/c1-31-20(32)23(30-21(31)28)19-10-14(16-9-17(13-29-12-16)24(25,26)27)3-4-15(19)11-22(23)7-5-18(33-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,28,30) JMEQARWSZRJUJJ-UHFFFAOYSA-N 195125 US10336717, Compound 185::US9212153, 185,Ex. 146 Beta-secretase 1 Homo sapiens 2.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195125&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391863 318150839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806635 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(Cl)c2)CC1 InChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27) OBMDTPCNLIHYNL-UHFFFAOYSA-N 195127 US10336717, Compound 187::US9212153, 187,Ex. 148 Beta-secretase 1 Homo sapiens 2.60 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197242 318150840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806636 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(F)c2)CC1 InChI=1S/C23H25FN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27) VLSLBOHBPYCVKS-UHFFFAOYSA-N 195128 US10336717, Compound 188::US9212153, 188,Ex. 149 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197375 318150841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806637 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccnc2F)CC1 InChI=1S/C23H25FN4O2/c1-28-20(29)23(27-21(28)25)18-12-14(17-4-3-11-26-19(17)24)5-6-15(18)13-22(23)9-7-16(30-2)8-10-22/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,25,27) CWRUZXDPVJNVHM-UHFFFAOYSA-N 195129 US10336717, Compound 189::US9212153, 189,Ex. 150 Beta-secretase 1 Homo sapiens 2.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198262 318150842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806638 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccnc(OC)c2)CC1 InChI=1S/C24H28N4O3/c1-28-21(29)24(27-22(28)25)19-12-15(16-8-11-26-20(13-16)31-3)4-5-17(19)14-23(24)9-6-18(30-2)7-10-23/h4-5,8,11-13,18H,6-7,9-10,14H2,1-3H3,(H2,25,27) WRMCIPDJJHVWPU-UHFFFAOYSA-N 195130 US10336717, Compound 190::US9212153, 190,Ex. 151 Beta-secretase 1 Homo sapiens 10.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197661 318150843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806639 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21) RVLIRWFNCYASBC-UHFFFAOYSA-N 195151 US10336717, Compound 205::US9212153, 214,Ex. 173 Beta-secretase 1 Homo sapiens 102 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196972 318150863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806640 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(c2)C#N)CC1 InChI=1S/C25H25FN4O2/c1-30-22(31)25(29-23(30)28)21-12-16(18-9-15(14-27)10-19(26)11-18)3-4-17(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,28,29) JAQCSMCTZXZVEU-UHFFFAOYSA-N 195132 US10336717, Compound 192::US9212153, 192,Ex. 153 Beta-secretase 1 Homo sapiens 0.960 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197403 318150845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806641 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(c2)C#N)CC1 InChI=1S/C25H25ClN4O2/c1-30-22(31)25(29-23(30)28)21-12-16(18-9-15(14-27)10-19(26)11-18)3-4-17(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,28,29) AISRNMUSGDFNIM-UHFFFAOYSA-N 195133 US10336717, Compound 193::US9212153, 193,Ex. 154 Beta-secretase 1 Homo sapiens 0.800 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198197 318150846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806642 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#Cc2ccsc2)CC1 InChI=1S/C24H25N3O2S/c1-27-21(28)24(26-22(27)25)20-13-16(3-4-17-9-12-30-15-17)5-6-18(20)14-23(24)10-7-19(29-2)8-11-23/h5-6,9,12-13,15,19H,7-8,10-11,14H2,1-2H3,(H2,25,26) DSLUSBLFWMZWDK-UHFFFAOYSA-N 195134 US10336717, Compound 194::US9212153, 194,Ex. 155 Beta-secretase 1 Homo sapiens 17.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197976 318150847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806643 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2(O)CCCC2)CC1 InChI=1S/C25H31N3O3/c1-28-21(29)25(27-22(28)26)20-15-17(7-14-24(30)10-3-4-11-24)5-6-18(20)16-23(25)12-8-19(31-2)9-13-23/h5-6,15,19,30H,3-4,8-13,16H2,1-2H3,(H2,26,27) KBTBLCRTGMNQCZ-UHFFFAOYSA-N 195135 US10336717, Compound 195::US9212153, 195,Ex. 156 Beta-secretase 1 Homo sapiens 49.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197529 318150848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806644 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncs2)CC1 InChI=1S/C21H24N4O2S/c1-25-18(26)21(24-19(25)22)16-9-13(17-11-23-12-28-17)3-4-14(16)10-20(21)7-5-15(27-2)6-8-20/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H2,22,24) VIKFIFLWVNYSCR-UHFFFAOYSA-N 195136 US10336717, Compound 196::US9212153, 196,Ex. 157 Beta-secretase 1 Homo sapiens 11.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197528 318150849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806645 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21) RVLIRWFNCYASBC-UHFFFAOYSA-N 195151 US10336717, Compound 205::US9212153, 214,Ex. 173 Beta-secretase 1 Homo sapiens 29.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196972 318150863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806646 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#N)CC1 InChI=1S/C19H22N4O2/c1-23-16(24)19(22-17(23)21)15-9-12(11-20)3-4-13(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,21,22) RSMBFIGTOXVILA-UHFFFAOYSA-N 403920 US10336717, Compound 198 Beta-secretase 1 Homo sapiens 9.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70218587 405255304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806647 COC1CCC2(Cc3ccc(C=C)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C20H25N3O2/c1-4-13-5-6-14-12-19(9-7-15(25-3)8-10-19)20(16(14)11-13)17(24)23(2)18(21)22-20/h4-6,11,15H,1,7-10,12H2,2-3H3,(H2,21,22) XZORAVYRRVCQGA-UHFFFAOYSA-N 195138 US10336717, Compound 199::US9212153, 199,Ex. 159 Beta-secretase 1 Homo sapiens 111 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198355 318150851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806648 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)-c2ccn(C)c(=S)c2)CC1 InChI=1S/C24H27N3O2S2/c1-26-11-8-16(13-20(26)30)15-4-5-17-14-23(9-6-18(29-3)7-10-23)24(19(17)12-15)21(28)27(2)22(31)25-24/h4-5,8,11-13,18H,6-7,9-10,14H2,1-3H3,(H,25,31) ITHXVUQEKMIFAC-UHFFFAOYSA-N 403922 US10336717, Compound 200 Beta-secretase 1 Homo sapiens 269 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197129 405255305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806649 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)-c2ccn(C3CC3)c(=S)c2)CC1 InChI=1S/C26H29N3O2S2/c1-28-23(30)26(27-24(28)33)21-13-16(17-9-12-29(19-5-6-19)22(32)14-17)3-4-18(21)15-25(26)10-7-20(31-2)8-11-25/h3-4,9,12-14,19-20H,5-8,10-11,15H2,1-2H3,(H,27,33) OXDJTHALPSUKBN-UHFFFAOYSA-N 403923 US10336717, Compound 201 Beta-secretase 1 Homo sapiens 188 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198029 405255306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806650 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)-c2cnn(C)c(=S)c2)CC1 InChI=1S/C23H26N4O2S2/c1-26-20(28)23(25-21(26)31)18-10-14(16-11-19(30)27(2)24-13-16)4-5-15(18)12-22(23)8-6-17(29-3)7-9-22/h4-5,10-11,13,17H,6-9,12H2,1-3H3,(H,25,31) NDJGPZVQEJFISK-UHFFFAOYSA-N 403924 US10336717, Compound 202 Beta-secretase 1 Homo sapiens 32.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197802 405255307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806651 COC1CCC2(Cc3ccc(Br)cc3C22NC(=O)N(C)C2=O)CC1 InChI=1S/C18H21BrN2O3/c1-21-15(22)18(20-16(21)23)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H,20,23) RBSRJHVGRQUZBN-UHFFFAOYSA-N 403925 US10336717, Compound 203 Beta-secretase 1 Homo sapiens 79.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197568 405255308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806652 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21) RVLIRWFNCYASBC-UHFFFAOYSA-N 195151 US10336717, Compound 205::US9212153, 214,Ex. 173 Beta-secretase 1 Homo sapiens 30.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196972 318150863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806653 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21) RVLIRWFNCYASBC-UHFFFAOYSA-N 195151 US10336717, Compound 205::US9212153, 214,Ex. 173 Beta-secretase 1 Homo sapiens 4.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196972 318150863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806654 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)S(C)(=O)=O)CC1 InChI=1S/C25H29N3O4S/c1-28-22(29)25(27-23(28)26)21-14-17(16-5-4-6-20(13-16)33(3,30)31)7-8-18(21)15-24(25)11-9-19(32-2)10-12-24/h4-8,13-14,19H,9-12,15H2,1-3H3,(H2,26,27) LSFPHCQEIPLAFU-UHFFFAOYSA-N 195144 US10336717, Compound 206::US9212153, 206,Ex. 166 Beta-secretase 1 Homo sapiens 40.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197610 318150857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806655 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 InChI=1S/C22H26N4O2S/c1-13-24-12-18(29-13)14-4-5-15-11-21(8-6-16(28-3)7-9-21)22(17(15)10-14)19(27)26(2)20(23)25-22/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,23,25) RAMQFWJJXZGADF-UHFFFAOYSA-N 195398 US10336717, Compound 207::US9212153, 521a,Ex. 415 Beta-secretase 1 Homo sapiens 9.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197024 318151065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806656 COC1CCC2(Cc3ccc(Br)cc3C22N=C(NC(=O)OC(C)(C)C)N(C)C2=O)CC1 InChI=1S/C23H30BrN3O4/c1-21(2,3)31-20(29)25-19-26-23(18(28)27(19)4)17-12-15(24)7-6-14(17)13-22(23)10-8-16(30-5)9-11-22/h6-7,12,16H,8-11,13H2,1-5H3,(H,25,26,29) MLBDMHYHKYCNEZ-UHFFFAOYSA-N 403930 US10336717, Compound 208 Beta-secretase 1 Homo sapiens 39.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197793 405255309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806657 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(=O)N2CCCC2)CC1 InChI=1S/C23H30N4O3/c1-26-20(29)23(25-21(26)24)18-13-15(19(28)27-11-3-4-12-27)5-6-16(18)14-22(23)9-7-17(30-2)8-10-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H2,24,25) KPDZIEONFSZZMK-UHFFFAOYSA-N 195147 US10336717, Compound 209::US9212153, 209,Ex. 169 Beta-secretase 1 Homo sapiens 814 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198001 318150859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806658 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(=O)N(C)C)CC1 InChI=1S/C21H28N4O3/c1-24(2)17(26)13-5-6-14-12-20(9-7-15(28-4)8-10-20)21(16(14)11-13)18(27)25(3)19(22)23-21/h5-6,11,15H,7-10,12H2,1-4H3,(H2,22,23) UOBIZDFUPSHKGE-UHFFFAOYSA-N 195148 US10336717, Compound 210::US9212153, 210,Ex. 170 Beta-secretase 1 Homo sapiens 648 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197715 318150860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806659 COC1CCC2(Cc3ccc(Cl)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22ClN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21) KDGMQARLBRAYHW-UHFFFAOYSA-N 195149 US10336717, Compound 211::US9212153, 211,Ex. 171 Beta-secretase 1 Homo sapiens 28.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197799 318150861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806660 COC1CCC2(Cc3ccc(Cl)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22ClN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13?,17?,18-/m0/s1 KDGMQARLBRAYHW-SYGMWZTRSA-N 403934 US10336717, Compound 212 Beta-secretase 1 Homo sapiens 32.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198142 405255310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806661 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#C)CC1 InChI=1S/C20H23N3O2/c1-4-13-5-6-14-12-19(9-7-15(25-3)8-10-19)20(16(14)11-13)17(24)23(2)18(21)22-20/h1,5-6,11,15H,7-10,12H2,2-3H3,(H2,21,22)/t15?,19?,20-/m1/s1 PJQDCZWRRAXUDS-RGKRWLCDSA-N 403935 US10336717, Compound 214 Beta-secretase 1 Homo sapiens 30.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047196 405255311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806662 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#N)CC1 InChI=1S/C19H22N4O2/c1-23-16(24)19(22-17(23)21)15-9-12(11-20)3-4-13(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,21,22)/t14?,18?,19-/m1/s1 RSMBFIGTOXVILA-DNOPENIRSA-N 195152 US10336717, Compound 215::US9212153, 215,Ex. 174 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220903 318150864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806663 COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)C#N)CC1 InChI=1S/C19H22N4O2/c1-23-16(24)19(22-17(23)21)15-9-12(11-20)3-4-13(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,21,22)/t14?,18?,19-/m0/s1 RSMBFIGTOXVILA-FPCQFERPSA-N 195515 US10336717, Compound 216::US9212153, 216,Ex. 174 Beta-secretase 1 Homo sapiens 1814 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70216060 318151158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806664 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18? RVLIRWFNCYASBC-PPZOPEANSA-N 195153 US10336717, Compound 217::US9212153, 217,Ex. 175 Beta-secretase 1 Homo sapiens 32.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196972 318150865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806665 CO[C@H]1CC[C@@]2(Cc3ccccc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C18H23N3O2/c1-21-15(22)18(20-16(21)19)14-6-4-3-5-12(14)11-17(18)9-7-13(23-2)8-10-17/h3-6,13H,7-11H2,1-2H3,(H2,19,20)/t13-,17-,18? VZRZTNGBCNWFOM-PPZOPEANSA-N 404300 US10336717, Compound 218 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197747 405255463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806666 COCC#Cc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C22H27N3O3/c1-25-19(26)22(24-20(25)23)18-13-15(5-4-12-27-2)6-7-16(18)14-21(22)10-8-17(28-3)9-11-21/h6-7,13,17H,8-12,14H2,1-3H3,(H2,23,24) KJARXDGZFMEZIK-UHFFFAOYSA-N 195156 US10336717, Compound 219::US9212153, 219,Ex. 177 Beta-secretase 1 Homo sapiens 11.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197368 318150867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806667 COCCCc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C22H31N3O3/c1-25-19(26)22(24-20(25)23)18-13-15(5-4-12-27-2)6-7-16(18)14-21(22)10-8-17(28-3)9-11-21/h6-7,13,17H,4-5,8-12,14H2,1-3H3,(H2,23,24) ZSHKNUGFUFEMNT-UHFFFAOYSA-N 195157 US10336717, Compound 220::US9212153, 220,Ex. 178 Beta-secretase 1 Homo sapiens 23.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197550 318150868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806668 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CCC(C)C)CC1 InChI=1S/C24H31N3O2/c1-16(2)6-5-7-17-8-9-18-15-23(12-10-19(29-4)11-13-23)24(20(18)14-17)21(28)27(3)22(25)26-24/h8-9,14,16,19H,6,10-13,15H2,1-4H3,(H2,25,26) TVMKDWFWVGMEKF-UHFFFAOYSA-N 195158 US10336717, Compound 224::US9212153, 221,Ex. 179 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197039 318150869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806669 COC1CCC2(Cc3ccc(CCCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H35N3O2/c1-16(2)6-5-7-17-8-9-18-15-23(12-10-19(29-4)11-13-23)24(20(18)14-17)21(28)27(3)22(25)26-24/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H2,25,26) LLRWUHULOSGJHO-UHFFFAOYSA-N 195159 US10336717, Compound 222::US9212153, 222,Ex. 180 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198158 318150870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806670 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)C#CCC(C)C)CC1 InChI=1S/C24H30N2O2S/c1-16(2)6-5-7-17-8-9-18-15-23(12-10-19(28-4)11-13-23)24(20(18)14-17)21(27)26(3)22(29)25-24/h8-9,14,16,19H,6,10-13,15H2,1-4H3,(H,25,29) KHNXGJXVCHNSGF-UHFFFAOYSA-N 403944 US10336717, Compound 223 Beta-secretase 1 Homo sapiens 5.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198116 405255312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806671 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CCC(C)C)CC1 InChI=1S/C24H31N3O2/c1-16(2)6-5-7-17-8-9-18-15-23(12-10-19(29-4)11-13-23)24(20(18)14-17)21(28)27(3)22(25)26-24/h8-9,14,16,19H,6,10-13,15H2,1-4H3,(H2,25,26) TVMKDWFWVGMEKF-UHFFFAOYSA-N 195158 US10336717, Compound 224::US9212153, 221,Ex. 179 Beta-secretase 1 Homo sapiens 138 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197039 318150869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806672 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)C#CC2CC2)CC1 InChI=1S/C25H29N3O2/c1-30-20-10-12-24(13-11-20)15-18-7-6-17(5-4-16-2-3-16)14-21(18)25(24)22(29)28(19-8-9-19)23(26)27-25/h6-7,14,16,19-20H,2-3,8-13,15H2,1H3,(H2,26,27) WHATUVHHKGPFSY-UHFFFAOYSA-N 195160 US10336717, Compound 225::US9212153, 225,Ex. 182 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197131 318150871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806673 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C3CC3)C2=O)CC1 InChI=1S/C20H24BrN3O2/c1-26-15-6-8-19(9-7-15)11-12-2-3-13(21)10-16(12)20(19)17(25)24(14-4-5-14)18(22)23-20/h2-3,10,14-15H,4-9,11H2,1H3,(H2,22,23) CWNRSMLGEZOCEI-UHFFFAOYSA-N 195161 US10336717, Compound 226::US9212153, 226,Ex. 183 Beta-secretase 1 Homo sapiens 351 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197099 318150872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806674 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C27H28N4O2/c1-33-22-9-11-26(12-10-22)15-20-6-5-19(18-4-2-3-17(13-18)16-28)14-23(20)27(26)24(32)31(21-7-8-21)25(29)30-27/h2-6,13-14,21-22H,7-12,15H2,1H3,(H2,29,30) SYESPBNIMDUSMD-UHFFFAOYSA-N 403948 US10336717, Compound 227 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70221699 405255313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806675 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)-c2cncc(c2)C(F)(F)F)CC1 InChI=1S/C26H27F3N4O2/c1-35-20-6-8-24(9-7-20)12-16-3-2-15(17-10-18(14-31-13-17)26(27,28)29)11-21(16)25(24)22(34)33(19-4-5-19)23(30)32-25/h2-3,10-11,13-14,19-20H,4-9,12H2,1H3,(H2,30,32) YLZQQJMZZZKPJX-UHFFFAOYSA-N 195163 US10336717, Compound 228::US9212153, 228,Ex. 185 Beta-secretase 1 Homo sapiens 72.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68392020 318150874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806676 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C3CCC3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H30N2O2S/c1-30-21-11-13-25(14-12-21)16-19-10-9-18(8-7-17-5-6-17)15-22(19)26(25)23(29)28(24(31)27-26)20-3-2-4-20/h9-10,15,17,20-21H,2-6,11-14,16H2,1H3,(H,27,31) PSWFLLZZXXWKFL-UHFFFAOYSA-N 403950 US10336717, Compound 229 Beta-secretase 1 Homo sapiens 37.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197537 405255314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806677 CC1(C)OC(=O)C(C(=O)c2ccc(cc2)C(F)(F)F)C(=O)O1 InChI=1S/C14H11F3O5/c1-13(2)21-11(19)9(12(20)22-13)10(18)7-3-5-8(6-4-7)14(15,16)17/h3-6,9H,1-2H3 RXLBLIWZZUIMGD-UHFFFAOYSA-N 403951 US10336717, Compound 230 Beta-secretase 1 Homo sapiens 321 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70925427 405255315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806678 COC(=O)CCC1(CCC(=O)OC)Cc2ccc(OC(F)(F)F)cc2C1=O InChI=1S/C18H19F3O6/c1-25-14(22)5-7-17(8-6-15(23)26-2)10-11-3-4-12(27-18(19,20)21)9-13(11)16(17)24/h3-4,9H,5-8,10H2,1-2H3 JVDQZPLOAPKJEI-UHFFFAOYSA-N 403952 US10336717, Compound 231 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403952&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391936 405255316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806679 COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)N2CCCC2)CC1 InChI=1S/C23H31N3O2S/c1-25-20(27)23(24-21(25)29-3)19-14-17(26-12-4-5-13-26)7-6-16(19)15-22(23)10-8-18(28-2)9-11-22/h6-7,14,18H,4-5,8-13,15H2,1-3H3 OAAKEEGMIOQHKM-UHFFFAOYSA-N 403953 US10336717, Compound 232 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403953&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197138 405255317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806680 COC1CCC2(Cc3ccc(OC)cc3C22NC(SC)N(C)C2=O)CC1 InChI=1S/C20H28N2O3S/c1-22-17(23)20(21-18(22)26-4)16-11-15(25-3)6-5-13(16)12-19(20)9-7-14(24-2)8-10-19/h5-6,11,14,18,21H,7-10,12H2,1-4H3 CNXRYRQIKIBPHO-UHFFFAOYSA-N 403954 US10336717, Compound 233 Beta-secretase 1 Homo sapiens 145 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122547996 405255318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806681 COC1CCC2(Cc3ccc(OCCN(C)C)cc3C22NC(=O)N(C)C2=O)CC1 InChI=1S/C22H31N3O4/c1-24(2)11-12-29-17-6-5-15-14-21(9-7-16(28-4)8-10-21)22(18(15)13-17)19(26)25(3)20(27)23-22/h5-6,13,16H,7-12,14H2,1-4H3,(H,23,27) WYBSKXGJPAUSEY-UHFFFAOYSA-N 403955 US10336717, Compound 235 Beta-secretase 1 Homo sapiens 368 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197232 405255319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806682 COC1CCC2(Cc3ccc(OCC4CCCC4)cc3C22NC(=S)N(C)C2=O)CC1 InChI=1S/C24H32N2O3S/c1-26-21(27)24(25-22(26)30)20-13-19(29-15-16-5-3-4-6-16)8-7-17(20)14-23(24)11-9-18(28-2)10-12-23/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3,(H,25,30) ADHGDLWOSUIHCG-UHFFFAOYSA-N 403956 US10336717, Compound 236 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403956&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197431 405255320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806683 COCCOc1ccc2CC3(CCC(CC3)OC)C3(NC(=S)N(C)C3=O)c2c1 InChI=1S/C21H28N2O4S/c1-23-18(24)21(22-19(23)28)17-12-16(27-11-10-25-2)5-4-14(17)13-20(21)8-6-15(26-3)7-9-20/h4-5,12,15H,6-11,13H2,1-3H3,(H,22,28) HIXWYRNDYHUKBR-UHFFFAOYSA-N 403957 US10336717, Compound 237 Beta-secretase 1 Homo sapiens 10.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197341 405255321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806684 COC1CCC2(Cc3ccc(Oc4cccc(OC)c4)cc3C22NC(=S)N(C)C2=O)CC1 InChI=1S/C25H28N2O4S/c1-27-22(28)25(26-23(27)32)21-14-20(31-19-6-4-5-18(13-19)30-3)8-7-16(21)15-24(25)11-9-17(29-2)10-12-24/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,26,32) GSGPFYRXPQOAPI-UHFFFAOYSA-N 403958 US10336717, Compound 238 Beta-secretase 1 Homo sapiens 42.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197562 405255322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806685 COC1CCC2(Cc3ccc(OC4CC4)cc3C22NC(=S)N(C)C2=O)CC1 InChI=1S/C21H26N2O3S/c1-23-18(24)21(22-19(23)27)17-11-16(26-15-5-6-15)4-3-13(17)12-20(21)9-7-14(25-2)8-10-20/h3-4,11,14-15H,5-10,12H2,1-2H3,(H,22,27) CIKAPNIYZPWTSP-UHFFFAOYSA-N 403959 US10336717, Compound 239 Beta-secretase 1 Homo sapiens 29.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197394 405255323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806686 COC1CCC2(Cc3ccc(OCCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H31N3O3/c1-26-20(27)23(25-21(26)24)19-13-18(29-12-9-15-3-4-15)6-5-16(19)14-22(23)10-7-17(28-2)8-11-22/h5-6,13,15,17H,3-4,7-12,14H2,1-2H3,(H2,24,25) BUCFOFLBQLCAHZ-UHFFFAOYSA-N 195178 US10336717, Compound 240::US9212153, 240,Ex. 197 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197147 318150885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806687 COC1CCC2(Cc3ccc(OC(F)(F)C(F)F)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C20H23F4N3O3/c1-27-16(28)19(26-17(27)25)14-9-13(30-20(23,24)15(21)22)4-3-11(14)10-18(19)7-5-12(29-2)6-8-18/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,25,26)/t12?,18?,19-/m0/s1 DTCACHDQBPBQGE-QNMGIUOZSA-N 195517 US10336717, Compound 243::US9212153, 242,Ex. 198 Beta-secretase 1 Homo sapiens 9.60 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197085 318151160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806688 COC1CCC2(Cc3ccc(OC(F)(F)C(F)F)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C20H23F4N3O3/c1-27-16(28)19(26-17(27)25)14-9-13(30-20(23,24)15(21)22)4-3-11(14)10-18(19)7-5-12(29-2)6-8-18/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,25,26)/t12?,18?,19-/m0/s1 DTCACHDQBPBQGE-QNMGIUOZSA-N 195517 US10336717, Compound 243::US9212153, 242,Ex. 198 Beta-secretase 1 Homo sapiens 496 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197085 318151160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806689 COC1CCC2(Cc3ccc(OC(F)(F)C(F)F)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C20H23F4N3O3/c1-27-16(28)19(26-17(27)25)14-9-13(30-20(23,24)15(21)22)4-3-11(14)10-18(19)7-5-12(29-2)6-8-18/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,25,26)/t12?,18?,19-/m0/s1 DTCACHDQBPBQGE-QNMGIUOZSA-N 195517 US10336717, Compound 243::US9212153, 242,Ex. 198 Beta-secretase 1 Homo sapiens 6.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197085 318151160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806690 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23)18-11-17(28-13-14-3-4-14)6-5-15(18)12-21(22)9-7-16(27-2)8-10-21/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H2,23,24) XZUCFAOSPGFWFO-UHFFFAOYSA-N 195181 US10336717, Compound 244::US9212153, 244,Ex. 199 Beta-secretase 1 Homo sapiens 3.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70216528 318150887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806691 COC1CCC2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23)18-11-17(28-13-14-3-4-14)6-5-15(18)12-21(22)9-7-16(27-2)8-10-21/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H2,23,24)/t16?,21?,22-/m0/s1 XZUCFAOSPGFWFO-PZPSAWLHSA-N 195520 US10336717, Compound 245::US9212153, 246,Ex. 199 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70216526 318151163 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806692 COC1CCC2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(N)N(C)C2=O)CC1 InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23)18-11-17(28-13-14-3-4-14)6-5-15(18)12-21(22)9-7-16(27-2)8-10-21/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H2,23,24)/t16?,21?,22-/m1/s1 XZUCFAOSPGFWFO-UVOAEELBSA-N 195519 US10336717, Compound 246::US9212153, 245,Ex. 199 Beta-secretase 1 Homo sapiens 423 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371258 318151162 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806693 COC1CCC2(Cc3ccc(OC(F)F)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C19H23F2N3O3/c1-24-15(25)19(23-17(24)22)14-9-13(27-16(20)21)4-3-11(14)10-18(19)7-5-12(26-2)6-8-18/h3-4,9,12,16H,5-8,10H2,1-2H3,(H2,22,23) PLCXVSJDQWFUAK-UHFFFAOYSA-N 195489 US10336717, Compound 247::US9212153, 247,Ex. 200 Beta-secretase 1 Homo sapiens 55.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219345 318151133 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806694 COC1CCC2(Cc3ccc(Oc4ccccc4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26) DVSMPRORXNHICB-UHFFFAOYSA-N 195182 US10336717, Compound 248::US9212153, 248,Ex. 201 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219348 318150888 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806695 CO[C@H]1CC[C@@]2(Cc3c(cccc3F)C22NC(=O)NC2=O)CC1 InChI=1S/C17H19FN2O3/c1-23-10-5-7-16(8-6-10)9-11-12(3-2-4-13(11)18)17(16)14(21)19-15(22)20-17/h2-4,10H,5-9H2,1H3,(H2,19,20,21,22)/t10-,16-,17? FDEBKARDCIRJEN-RXSOXVLTSA-N 403969 US10336717, Compound 249 Beta-secretase 1 Homo sapiens 493 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197669 405255324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806696 CO[C@H]1CC[C@@]2(Cc3c(c(Br)ccc3F)C22NC(=O)NC2=O)CC1 InChI=1S/C17H18BrFN2O3/c1-24-9-4-6-16(7-5-9)8-10-12(19)3-2-11(18)13(10)17(16)14(22)20-15(23)21-17/h2-3,9H,4-8H2,1H3,(H2,20,21,22,23)/t9-,16-,17? ROFZNSGFVNPZPS-QIJCDOBGSA-N 403970 US10336717, Compound 250 Beta-secretase 1 Homo sapiens 2010 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197779 405255325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806697 CO[C@H]1CC[C@@]2(Cc3c(c(ccc3F)-c3cccc(c3)C#N)C22N=C(N)N(C)C2=O)CC1 InChI=1S/C25H25FN4O2/c1-30-22(31)25(29-23(30)28)21-18(16-5-3-4-15(12-16)14-27)6-7-20(26)19(21)13-24(25)10-8-17(32-2)9-11-24/h3-7,12,17H,8-11,13H2,1-2H3,(H2,28,29)/t17-,24-,25? VVMXCBXBOHZZQY-FAWDASFKSA-N 403971 US10336717, Compound 251 Beta-secretase 1 Homo sapiens 13500 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220389 405255326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806698 COC1CCC2(Cc3cc(F)ccc3C22N=C(SC)N(C)C2=O)CC1 InChI=1S/C19H23FN2O2S/c1-22-16(23)19(21-17(22)25-3)15-5-4-13(20)10-12(15)11-18(19)8-6-14(24-2)7-9-18/h4-5,10,14H,6-9,11H2,1-3H3 ZIBDXYXXJFHOAV-UHFFFAOYSA-N 403972 US10336717, Compound 253 Beta-secretase 1 Homo sapiens 825 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198256 405255327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806699 COC1CCC2(Cc3cc(F)c(cc3C22NC(=S)N(C)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C25H24FN3O2S/c1-29-22(30)25(28-23(29)32)20-12-19(16-5-3-4-15(10-16)14-27)21(26)11-17(20)13-24(25)8-6-18(31-2)7-9-24/h3-5,10-12,18H,6-9,13H2,1-2H3,(H,28,32) WSLPVIXARLMYHJ-UHFFFAOYSA-N 403973 US10336717, Compound 254 Beta-secretase 1 Homo sapiens 20.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198169 405255328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806700 COC1CCC2(Cc3cc(F)c(cc3C22NC(=S)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C23H25FN2O2S/c1-26-20(27)23(25-21(26)29)18-11-15(6-5-14-3-4-14)19(24)12-16(18)13-22(23)9-7-17(28-2)8-10-22/h11-12,14,17H,3-4,7-10,13H2,1-2H3,(H,25,29) HTWGSKFBVHVNKM-UHFFFAOYSA-N 403974 US10336717, Compound 255 Beta-secretase 1 Homo sapiens 618 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197600 405255329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806701 COC1CCC2(Cc3ccc(CCC(F)(F)F)cc3C22NC(=S)N(C)C2=O)CC1 InChI=1S/C21H25F3N2O2S/c1-26-17(27)21(25-18(26)29)16-11-13(5-10-20(22,23)24)3-4-14(16)12-19(21)8-6-15(28-2)7-9-19/h3-4,11,15H,5-10,12H2,1-2H3,(H,25,29) IRXQAROECUYEHN-UHFFFAOYSA-N 403975 US10336717, Compound 256 Beta-secretase 1 Homo sapiens 11.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198144 405255330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806702 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(O)CC1)-c1cccc(c1)C#N InChI=1S/C24H24N4O2/c1-28-21(30)24(27-22(28)26)20-12-17(16-4-2-3-15(11-16)14-25)5-6-18(20)13-23(24)9-7-19(29)8-10-23/h2-6,11-12,19,29H,7-10,13H2,1H3,(H2,26,27) RMEGKUUGWYHSHG-UHFFFAOYSA-N 403976 US10336717, Compound 257 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70216969 405255331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806703 CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C#CC1CC1 InChI=1S/C46H58N4O10/c1-42(2,3)58-39(53)47-35(26-30-16-19-32(20-17-30)57-41(55)60-44(7,8)9)36(51)56-33-21-23-45(24-22-33)27-31-18-15-29(14-13-28-11-12-28)25-34(31)46(45)37(52)50(10)38(49-46)48-40(54)59-43(4,5)6/h15-20,25,28,33,35H,11-12,21-24,26-27H2,1-10H3,(H,47,53)(H,48,49,54)/t33?,35-,45?,46?/m0/s1 ZTMXEFALVHWBIF-CYMDIQCFSA-N 403977 US10336717, Compound 258 Beta-secretase 1 Homo sapiens 640 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197716 405255332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806704 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(=C)C(F)(F)F)CC1 InChI=1S/C21H24F3N3O2/c1-12(21(22,23)24)13-4-5-14-11-19(8-6-15(29-3)7-9-19)20(16(14)10-13)17(28)27(2)18(25)26-20/h4-5,10,15H,1,6-9,11H2,2-3H3,(H2,25,26) CFAYIEOLDOKHAI-UHFFFAOYSA-N 195195 US10336717, Compound 260::US9212153, 260,Ex. 213 Beta-secretase 1 Homo sapiens 1071 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70221412 318150897 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806705 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(O)(O)C(F)(F)F)CC1 InChI=1S/C20H24F3N3O4/c1-26-15(27)18(25-16(26)24)14-9-12(19(28,29)20(21,22)23)4-3-11(14)10-17(18)7-5-13(30-2)6-8-17/h3-4,9,13,28-29H,5-8,10H2,1-2H3,(H2,24,25) GYWNMKJJYISXDG-UHFFFAOYSA-N 195196 US10336717, Compound 262::US9212153, 261,Ex. 214 Beta-secretase 1 Homo sapiens 2543 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220710 318150898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806706 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(O)(O)C(F)(F)F)CC1 InChI=1S/C20H24F3N3O4/c1-26-15(27)18(25-16(26)24)14-9-12(19(28,29)20(21,22)23)4-3-11(14)10-17(18)7-5-13(30-2)6-8-17/h3-4,9,13,28-29H,5-8,10H2,1-2H3,(H2,24,25) GYWNMKJJYISXDG-UHFFFAOYSA-N 195196 US10336717, Compound 262::US9212153, 261,Ex. 214 Beta-secretase 1 Homo sapiens 2226 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220710 318150898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806707 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(C)C(F)(F)F)CC1 InChI=1S/C21H26F3N3O2/c1-12(21(22,23)24)13-4-5-14-11-19(8-6-15(29-3)7-9-19)20(16(14)10-13)17(28)27(2)18(25)26-20/h4-5,10,12,15H,6-9,11H2,1-3H3,(H2,25,26) DRUCZLCTLTUPQO-UHFFFAOYSA-N 195198 US10336717, Compound 263::US9212153, 263,Ex. 216 Beta-secretase 1 Homo sapiens 716 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391899 318150900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806708 COC1CCC2(Cc3ccc(cc3C22NC(=S)NC2=O)C#CC2CC2)CC1 InChI=1S/C22H24N2O2S/c1-26-17-8-10-21(11-9-17)13-16-7-6-15(5-4-14-2-3-14)12-18(16)22(21)19(25)23-20(27)24-22/h6-7,12,14,17H,2-3,8-11,13H2,1H3,(H2,23,24,25,27) JPUMMMXXSDGAJG-UHFFFAOYSA-N 403982 US10336717, Compound 264 Beta-secretase 1 Homo sapiens 29.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197023 405255333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806709 CN1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(Cc2ccccc2)CC1 InChI=1S/C24H25BrN2OS/c1-27-21(28)24(26-22(27)29)20-14-19(25)8-7-18(20)15-23(24)11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,26,29) ARFLRFVWNXGDJO-UHFFFAOYSA-N 403983 US10336717, Compound 265 Beta-secretase 1 Homo sapiens 634 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196982 405255334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806710 CN(C)[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22NC(=O)N(C)C2=O)CC1 InChI=1S/C19H24BrN3O2/c1-22(2)14-6-8-18(9-7-14)11-12-4-5-13(20)10-15(12)19(18)16(24)23(3)17(25)21-19/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,25)/t14-,18+,19? VJDBWVMRRNUGJV-GDOSBZBXSA-N 403984 US10336717, Compound 269 Beta-secretase 1 Homo sapiens 1000 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197454 405255335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806711 CN(C)[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C26H29N5O/c1-30(2)21-9-11-25(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-27)14-22(20)26(25)23(32)31(3)24(28)29-26/h4-8,13-14,21H,9-12,15H2,1-3H3,(H2,28,29)/t21-,25-,26? ZKMXGRISRJAUBG-AHQGXOPPSA-N 195203 US10336717, Compound 270::US9212153, 270,Ex. 222 Beta-secretase 1 Homo sapiens 13500 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197442 318150904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806712 COC1CCC2(Cc3ccc(Br)cc3C22NC(SCc3cccc(c3)C(=O)OC)N(Cc3cccc(c3)C(=O)OC)C2=O)CC1 InChI=1S/C35H37BrN2O6S/c1-42-28-12-14-34(15-13-28)19-26-10-11-27(36)18-29(26)35(34)32(41)38(20-22-6-4-8-24(16-22)30(39)43-2)33(37-35)45-21-23-7-5-9-25(17-23)31(40)44-3/h4-11,16-18,28,33,37H,12-15,19-21H2,1-3H3 DBXKAAWBIWUXGV-UHFFFAOYSA-N 403986 US10336717, Compound 271 Beta-secretase 1 Homo sapiens 10.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68392096 405255336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806713 CN1C(=S)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C18H19BrF2N2O2S/c1-23-14(24)18(22-16(23)26)13-8-11(19)3-2-10(13)9-17(18)6-4-12(5-7-17)25-15(20)21/h2-3,8,12,15H,4-7,9H2,1H3,(H,22,26)/t12-,17-,18? OKVJTSBYGLSMLN-KWDRTTAMSA-N 195205 US10336717, Compound 274::US9212153, 272,Ex. 224 Beta-secretase 1 Homo sapiens 182 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197731 318150906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806714 CN1C(=S)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C18H19BrF2N2O2S/c1-23-14(24)18(22-16(23)26)13-8-11(19)3-2-10(13)9-17(18)6-4-12(5-7-17)25-15(20)21/h2-3,8,12,15H,4-7,9H2,1H3,(H,22,26)/t12-,17-,18? OKVJTSBYGLSMLN-KWDRTTAMSA-N 195205 US10336717, Compound 274::US9212153, 272,Ex. 224 Beta-secretase 1 Homo sapiens 26.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197731 318150906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806715 CN1C(=S)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C18H19BrF2N2O2S/c1-23-14(24)18(22-16(23)26)13-8-11(19)3-2-10(13)9-17(18)6-4-12(5-7-17)25-15(20)21/h2-3,8,12,15H,4-7,9H2,1H3,(H,22,26)/t12-,17-,18? OKVJTSBYGLSMLN-KWDRTTAMSA-N 195205 US10336717, Compound 274::US9212153, 272,Ex. 224 Beta-secretase 1 Homo sapiens 8.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197731 318150906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806716 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F InChI=1S/C18H20BrF2N3O2/c1-24-14(25)18(23-16(24)22)13-8-11(19)3-2-10(13)9-17(18)6-4-12(5-7-17)26-15(20)21/h2-3,8,12,15H,4-7,9H2,1H3,(H2,22,23) QEGPGHLXKCIQTF-UHFFFAOYSA-N 403990 US10336717, Compound 275 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197069 405255337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806717 CN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C1CC1 InChI=1S/C21H25F2N3O2/c1-26-17(27)21(25-19(26)24)16-10-13(12-2-3-12)4-5-14(16)11-20(21)8-6-15(7-9-20)28-18(22)23/h4-5,10,12,15,18H,2-3,6-9,11H2,1H3,(H2,24,25)/t15-,20-,21? CBQDXQVMGQAGBR-CITOCJSESA-N 195211 US10336717, Compound 277::US9212153, 277,Ex. 228 Beta-secretase 1 Homo sapiens 177 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198292 318150910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806718 CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C23H29F2N3O2/c1-28-19(29)23(27-21(28)26)18-12-15(5-4-14-2-3-14)6-7-16(18)13-22(23)10-8-17(9-11-22)30-20(24)25/h6-7,12,14,17,20H,2-5,8-11,13H2,1H3,(H2,26,27)/t17-,22-,23? ICEWIUVLYPPZQQ-DRXONWLQSA-N 195213 US10336717, Compound 279::US9212153, 279,Ex. 230 Beta-secretase 1 Homo sapiens 13.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197765 318150911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806719 CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C20H23BrF2N2O3/c1-11(2)25-16(26)20(24-18(25)27)15-9-13(21)4-3-12(15)10-19(20)7-5-14(6-8-19)28-17(22)23/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H,24,27)/t14-,19-,20? CEUCLNHYIMQDCY-LPEZOHBNSA-N 403993 US10336717, Compound 281 Beta-secretase 1 Homo sapiens 151 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197063 405255338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806720 CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 InChI=1S/C19H23BrN2O3/c1-11(2)22-16(24)19(21-17(22)25)15-9-13(20)4-3-12(15)10-18(19)7-5-14(23)6-8-18/h3-4,9,11,14,23H,5-8,10H2,1-2H3,(H,21,25)/t14-,18-,19? SFMMIYOUYMGHQA-FGWLZILTSA-N 403994 US10336717, Compound 282 Beta-secretase 1 Homo sapiens 1580 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=403994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=403994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197235 405255339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806721 CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C20H24BrF2N3O2/c1-11(2)26-16(27)20(25-18(26)24)15-9-13(21)4-3-12(15)10-19(20)7-5-14(6-8-19)28-17(22)23/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H2,24,25)/t14-,19-,20? CDVODTJCICQRJM-LPEZOHBNSA-N 195216 US10336717, Compound 287::US9212153, 281,Ex. 232 Beta-secretase 1 Homo sapiens 265 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197161 318150912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806722 CC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cccc(c1)C#N InChI=1S/C27H28F2N4O2/c1-16(2)33-23(34)27(32-25(33)31)22-13-19(18-5-3-4-17(12-18)15-30)6-7-20(22)14-26(27)10-8-21(9-11-26)35-24(28)29/h3-7,12-13,16,21,24H,8-11,14H2,1-2H3,(H2,31,32)/t21-,26-,27? ACANUDRDOXFSRF-MJPADRBUSA-N 195217 US10336717, Compound 284::US9212153, 283,Ex. 233 Beta-secretase 1 Homo sapiens 35.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198170 318150913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806723 CC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F InChI=1S/C26H27F5N4O2/c1-14(2)35-21(36)25(34-23(35)32)20-10-15(17-9-18(13-33-12-17)26(29,30)31)3-4-16(20)11-24(25)7-5-19(6-8-24)37-22(27)28/h3-4,9-10,12-14,19,22H,5-8,11H2,1-2H3,(H2,32,34)/t19-,24-,25? RXFRJVJXLAAJNK-SSEMJGATSA-N 195218 US10336717, Compound 285::US9212153, 284,Ex. 234 Beta-secretase 1 Homo sapiens 18.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197679 318150914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806724 CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C20H24BrF2N3O2/c1-11(2)26-16(27)20(25-18(26)24)15-9-13(21)4-3-12(15)10-19(20)7-5-14(6-8-19)28-17(22)23/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H2,24,25)/t14-,19-,20? CDVODTJCICQRJM-LPEZOHBNSA-N 195216 US10336717, Compound 287::US9212153, 281,Ex. 232 Beta-secretase 1 Homo sapiens 44.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197161 318150912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806725 CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C20H24BrF2N3O2/c1-11(2)26-16(27)20(25-18(26)24)15-9-13(21)4-3-12(15)10-19(20)7-5-14(6-8-19)28-17(22)23/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H2,24,25)/t14-,19-,20? CDVODTJCICQRJM-LPEZOHBNSA-N 195216 US10336717, Compound 287::US9212153, 281,Ex. 232 Beta-secretase 1 Homo sapiens 473 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197161 318150912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806726 CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F InChI=1S/C20H23BrF2N2O2S/c1-11(2)25-16(26)20(24-18(25)28)15-9-13(21)4-3-12(15)10-19(20)7-5-14(6-8-19)27-17(22)23/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H,24,28) VFOWURGFOZOPPQ-UHFFFAOYSA-N 404000 US10336717, Compound 288 Beta-secretase 1 Homo sapiens 14.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197123 405255340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806727 CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F InChI=1S/C20H23BrF2N2O2S/c1-11(2)25-16(26)20(24-18(25)28)15-9-13(21)4-3-12(15)10-19(20)7-5-14(6-8-19)27-17(22)23/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H,24,28) VFOWURGFOZOPPQ-UHFFFAOYSA-N 404001 US10336717, Compound 289 Beta-secretase 1 Homo sapiens 36.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197123 405255341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806728 CC(C)N1C(=O)NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC(F)F)B1OC(C)(C)C(C)(C)O1 InChI=1S/C26H35BF2N2O5/c1-15(2)31-20(32)26(30-22(31)33)19-13-17(27-35-23(3,4)24(5,6)36-27)8-7-16(19)14-25(26)11-9-18(10-12-25)34-21(28)29/h7-8,13,15,18,21H,9-12,14H2,1-6H3,(H,30,33) UEDJUVZWWMVQIQ-UHFFFAOYSA-N 404002 US10336717, Compound 290 Beta-secretase 1 Homo sapiens 15.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198330 405255342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806729 CN1C(=S)NC2(C1=O)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N InChI=1S/C24H21F2N3OS/c1-29-20(30)24(28-21(29)31)19-12-17(16-4-2-3-15(11-16)14-27)5-6-18(19)13-22(24)7-9-23(25,26)10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,28,31) GIZZNBHBDYMZGC-UHFFFAOYSA-N 404003 US10336717, Compound 291 Beta-secretase 1 Homo sapiens 126 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88217271 405255343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806730 CN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(F)(F)CC1 InChI=1S/C17H17BrF2N2O2/c1-22-13(23)17(21-14(22)24)12-8-11(18)3-2-10(12)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,21,24) GPITZBJXGYTWDU-UHFFFAOYSA-N 404004 US10336717, Compound 292::US10336717, Compound 293 Beta-secretase 1 Homo sapiens 1357 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197015 405255344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806731 CN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(F)(F)CC1 InChI=1S/C17H17BrF2N2O2/c1-22-13(23)17(21-14(22)24)12-8-11(18)3-2-10(12)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,21,24) GPITZBJXGYTWDU-UHFFFAOYSA-N 404004 US10336717, Compound 292::US10336717, Compound 293 Beta-secretase 1 Homo sapiens 91.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197015 405255344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806732 COC1CCC2(CC1)C(C)(C)c1ccc(Br)cc1C21N=C(N)N(C)C1=O InChI=1S/C20H26BrN3O2/c1-18(2)14-6-5-12(21)11-15(14)20(16(25)24(3)17(22)23-20)19(18)9-7-13(26-4)8-10-19/h5-6,11,13H,7-10H2,1-4H3,(H2,22,23) XVHUQEBLDZZFQJ-UHFFFAOYSA-N 195229 US10336717, Compound 294::US9212153, 294,Ex. 244 Beta-secretase 1 Homo sapiens 22780 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197629 318150924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806733 COC1CCC2(CC1)C(C)(C)c1ccc(cc1C21N=C(N)N(C)C1=O)C#N InChI=1S/C21H26N4O2/c1-19(2)15-6-5-13(12-22)11-16(15)21(17(26)25(3)18(23)24-21)20(19)9-7-14(27-4)8-10-20/h5-6,11,14H,7-10H2,1-4H3,(H2,23,24) DVBTZXZXBNGQHX-UHFFFAOYSA-N 404007 US10336717, Compound 295 Beta-secretase 1 Homo sapiens 3156 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047197 405255345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806734 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3nccs3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H27N3O2S2/c1-31-20-8-10-25(11-9-20)15-19-7-6-18(5-4-17-2-3-17)14-21(19)26(25)23(30)29(24(32)28-26)16-22-27-12-13-33-22/h6-7,12-14,17,20H,2-3,8-11,15-16H2,1H3,(H,28,32) RCEXQRAPXBIZCN-UHFFFAOYSA-N 404008 US10336717, Compound 297 Beta-secretase 1 Homo sapiens 17.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197181 405255346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806735 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3ncco3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H27N3O3S/c1-31-20-8-10-25(11-9-20)15-19-7-6-18(5-4-17-2-3-17)14-21(19)26(25)23(30)29(24(33)28-26)16-22-27-12-13-32-22/h6-7,12-14,17,20H,2-3,8-11,15-16H2,1H3,(H,28,33) NLVIIJJOYFABNC-UHFFFAOYSA-N 404009 US10336717, Compound 300 Beta-secretase 1 Homo sapiens 14.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88955673 405255347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806736 COCC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC InChI=1S/C21H27BrN2O3S/c1-13(12-26-2)24-18(25)21(23-19(24)28)17-10-15(22)5-4-14(17)11-20(21)8-6-16(27-3)7-9-20/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H,23,28) NLMVCORGLACETC-UHFFFAOYSA-N 404010 US10336717, Compound 301 Beta-secretase 1 Homo sapiens 139 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88955674 405255348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806737 COCC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC InChI=1S/C21H28BrN3O3/c1-13(12-27-2)25-18(26)21(24-19(25)23)17-10-15(22)5-4-14(17)11-20(21)8-6-16(28-3)7-9-20/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H2,23,24) VXZJFTFNIOWQDT-UHFFFAOYSA-N 404011 US10336717, Compound 302 Beta-secretase 1 Homo sapiens 333 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197011 405255349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806738 COCC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC InChI=1S/C21H28BrN3O3/c1-13(12-27-2)25-18(26)21(24-19(25)23)17-10-15(22)5-4-14(17)11-20(21)8-6-16(28-3)7-9-20/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H2,23,24) VXZJFTFNIOWQDT-UHFFFAOYSA-N 404012 US10336717, Compound 303 Beta-secretase 1 Homo sapiens 18.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404012&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197011 405255350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806739 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCC(=O)OC)C2=O)C#CC2CC2)CC1 InChI=1S/C26H30N2O4S/c1-31-20-9-12-25(13-10-20)16-19-8-7-18(6-5-17-3-4-17)15-21(19)26(25)23(30)28(24(33)27-26)14-11-22(29)32-2/h7-8,15,17,20H,3-4,9-14,16H2,1-2H3,(H,27,33) IZJJRWSJQBOKHM-UHFFFAOYSA-N 404013 US10336717, Compound 304 Beta-secretase 1 Homo sapiens 4.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404013&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197159 405255351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806740 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3nnc(C)o3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H28N4O3S/c1-16-28-29-22(33-16)15-30-23(31)26(27-24(30)34)21-13-18(6-5-17-3-4-17)7-8-19(21)14-25(26)11-9-20(32-2)10-12-25/h7-8,13,17,20H,3-4,9-12,14-15H2,1-2H3,(H,27,34) IUHHTHUKPLIDCQ-UHFFFAOYSA-N 404014 US10336717, Compound 305 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404014&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88955679 405255352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806741 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3cncnc3)C2=O)C#CC2CC2)CC1 InChI=1S/C27H28N4O2S/c1-33-22-8-10-26(11-9-22)13-21-7-6-19(5-4-18-2-3-18)12-23(21)27(26)24(32)31(25(34)30-27)16-20-14-28-17-29-15-20/h6-7,12,14-15,17-18,22H,2-3,8-11,13,16H2,1H3,(H,30,34) AWDDMAIWXFVDDW-UHFFFAOYSA-N 404015 US10336717, Compound 306 Beta-secretase 1 Homo sapiens 15.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404015&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197351 405255353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806742 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCF)C2=O)C#CC2CC2)CC1 InChI=1S/C24H27FN2O2S/c1-29-19-8-10-23(11-9-19)15-18-7-6-17(5-4-16-2-3-16)14-20(18)24(23)21(28)27(13-12-25)22(30)26-24/h6-7,14,16,19H,2-3,8-13,15H2,1H3,(H,26,30) NJJFGWYNWSOWNM-UHFFFAOYSA-N 404016 US10336717, Compound 307 Beta-secretase 1 Homo sapiens 5.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404016&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197648 405255354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806743 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCN(C)S(C)(=O)=O)C2=O)C#CC2CC2)CC1 InChI=1S/C26H33N3O4S2/c1-28(35(3,31)32)14-15-29-23(30)26(27-24(29)34)22-16-19(7-6-18-4-5-18)8-9-20(22)17-25(26)12-10-21(33-2)11-13-25/h8-9,16,18,21H,4-5,10-15,17H2,1-3H3,(H,27,34) WIPQKGPSCRITIW-UHFFFAOYSA-N 404017 US10336717, Compound 308 Beta-secretase 1 Homo sapiens 9.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404017&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197946 405255355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806744 COCCN1C(=S)NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 InChI=1S/C25H30N2O3S/c1-29-14-13-27-22(28)25(26-23(27)31)21-15-18(6-5-17-3-4-17)7-8-19(21)16-24(25)11-9-20(30-2)10-12-24/h7-8,15,17,20H,3-4,9-14,16H2,1-2H3,(H,26,31) BIOWAWRGTICARS-UHFFFAOYSA-N 404018 US10336717, Compound 309 Beta-secretase 1 Homo sapiens 9.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404018&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88217369 405255356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806745 COCCN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC InChI=1S/C20H25BrN2O4/c1-26-10-9-23-17(24)20(22-18(23)25)16-11-14(21)4-3-13(16)12-19(20)7-5-15(27-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H,22,25) MFJNLGWIAGPLAD-UHFFFAOYSA-N 404019 US10336717, Compound 310 Beta-secretase 1 Homo sapiens 48.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404019&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197426 405255357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806746 COCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(c1)C#N InChI=1S/C27H30N4O3/c1-33-13-12-31-24(32)27(30-25(31)29)23-15-20(19-5-3-4-18(14-19)17-28)6-7-21(23)16-26(27)10-8-22(34-2)9-11-26/h3-7,14-15,22H,8-13,16H2,1-2H3,(H2,29,30) YUNUSZSFKORMMO-UHFFFAOYSA-N 195246 US10336717, Compound 311::US9212153, 311,Ex. 260 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197687 318150938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806747 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3cccc(NS(C)(=O)=O)c3)C2=O)CC1 InChI=1S/C30H37N3O4S2/c1-37-25-12-14-29(15-13-25)18-23-11-10-21(9-8-20-6-7-20)17-26(23)30(29)27(34)33(28(38)31-30)19-22-4-3-5-24(16-22)32-39(2,35)36/h3-5,10-11,16-17,20,25,32H,6-9,12-15,18-19H2,1-2H3,(H,31,38) YZYXLYSISXMEHI-UHFFFAOYSA-N 404021 US10336717, Compound 312 Beta-secretase 1 Homo sapiens 35.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197425 405255358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806748 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(CCN(C)C)C2=O)CC1 InChI=1S/C26H37N3O2S/c1-28(2)14-15-29-23(30)26(27-24(29)32)22-16-19(7-6-18-4-5-18)8-9-20(22)17-25(26)12-10-21(31-3)11-13-25/h8-9,16,18,21H,4-7,10-15,17H2,1-3H3,(H,27,32) VOSXQWYRVJBKPG-UHFFFAOYSA-N 404022 US10336717, Compound 313 Beta-secretase 1 Homo sapiens 12.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197917 405255359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806749 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3ncco3)C2=O)CC1 InChI=1S/C26H31N3O3S/c1-31-20-8-10-25(11-9-20)15-19-7-6-18(5-4-17-2-3-17)14-21(19)26(25)23(30)29(24(33)28-26)16-22-27-12-13-32-22/h6-7,12-14,17,20H,2-5,8-11,15-16H2,1H3,(H,28,33) KRYNOZMWDQKIBS-UHFFFAOYSA-N 404023 US10336717, Compound 314 Beta-secretase 1 Homo sapiens 11.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404023&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197856 405255360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806750 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3ccccc3C#N)C2=O)CC1 InChI=1S/C30H33N3O2S/c1-35-25-12-14-29(15-13-25)17-22-11-10-21(9-8-20-6-7-20)16-26(22)30(29)27(34)33(28(36)32-30)19-24-5-3-2-4-23(24)18-31/h2-5,10-11,16,20,25H,6-9,12-15,17,19H2,1H3,(H,32,36) TWKUKHKSUIRIHF-UHFFFAOYSA-N 404024 US10336717, Compound 315 Beta-secretase 1 Homo sapiens 17.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88217460 405255361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806751 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCC(=O)OC(C)(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C29H36N2O4S/c1-27(2,3)35-24(32)13-16-31-25(33)29(30-26(31)36)23-17-20(8-7-19-5-6-19)9-10-21(23)18-28(29)14-11-22(34-4)12-15-28/h9-10,17,19,22H,5-6,11-16,18H2,1-4H3,(H,30,36) DBXISNBYPIFUED-UHFFFAOYSA-N 404025 US10336717, Compound 316 Beta-secretase 1 Homo sapiens 15.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404025&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197505 405255362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806752 COC1CCC2(Cc3ccc(cc3C22N=C(SCc3nncn3C)N(Cc3nncn3C)C2=O)C#CC2CC2)CC1 InChI=1S/C30H34N8O2S/c1-36-18-31-34-25(36)16-38-27(39)30(33-28(38)41-17-26-35-32-19-37(26)2)24-14-21(7-6-20-4-5-20)8-9-22(24)15-29(30)12-10-23(40-3)11-13-29/h8-9,14,18-20,23H,4-5,10-13,15-17H2,1-3H3 BKUMEOBVHVBLLP-UHFFFAOYSA-N 404026 US10336717, Compound 317 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404026&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371281 405255363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806753 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCO3)N(CC3CCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C30H36N2O4S/c1-34-23-8-12-29(13-9-23)17-22-7-6-21(5-4-20-2-3-20)16-26(22)30(29)27(33)32(18-24-10-14-35-24)28(31-30)37-19-25-11-15-36-25/h6-7,16,20,23-25H,2-3,8-15,17-19H2,1H3 COMQXRRMKPSRSG-UHFFFAOYSA-N 404027 US10336717, Compound 318 Beta-secretase 1 Homo sapiens 7.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404027&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219392 405255364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806754 COC1CCC2(Cc3ccc(Br)cc3C22N=C(SCC3CCO3)N(CC3CCO3)C2=O)CC1 InChI=1S/C25H31BrN2O4S/c1-30-18-4-8-24(9-5-18)13-16-2-3-17(26)12-21(16)25(24)22(29)28(14-19-6-10-31-19)23(27-25)33-15-20-7-11-32-20/h2-3,12,18-20H,4-11,13-15H2,1H3 AIYXFVKSPTWDCO-UHFFFAOYSA-N 404028 US10336717, Compound 319 Beta-secretase 1 Homo sapiens 13.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404028&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197515 405255365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806755 CCC(C)SC1=NC2(C(=O)N1C(C)CC)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 InChI=1S/C30H40N2O2S/c1-6-20(3)32-27(33)30(31-28(32)35-21(4)7-2)26-18-23(11-10-22-8-9-22)12-13-24(26)19-29(30)16-14-25(34-5)15-17-29/h12-13,18,20-22,25H,6-9,14-17,19H2,1-5H3 KCEUFTYURLMROA-UHFFFAOYSA-N 404029 US10336717, Compound 321 Beta-secretase 1 Homo sapiens 22.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404029&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371284 405255366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806756 CCCSC1=NC2(C(=O)N1CCC)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 InChI=1S/C28H36N2O2S/c1-4-16-30-25(31)28(29-26(30)33-17-5-2)24-18-21(9-8-20-6-7-20)10-11-22(24)19-27(28)14-12-23(32-3)13-15-27/h10-11,18,20,23H,4-7,12-17,19H2,1-3H3 YZEVXGPFKDIBFJ-UHFFFAOYSA-N 404030 US10336717, Compound 322 Beta-secretase 1 Homo sapiens 5.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220413 405255367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806757 CCCCSC1=NC2(C(=O)N1CCCC)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 InChI=1S/C30H40N2O2S/c1-4-6-18-32-27(33)30(31-28(32)35-19-7-5-2)26-20-23(11-10-22-8-9-22)12-13-24(26)21-29(30)16-14-25(34-3)15-17-29/h12-13,20,22,25H,4-9,14-19,21H2,1-3H3 KCWHCYCCNXZUKQ-UHFFFAOYSA-N 404031 US10336717, Compound 323 Beta-secretase 1 Homo sapiens 7.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404031&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70216894 405255368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806758 COC1CCC2(Cc3ccc(cc3C22N=C(SCc3cccc(c3)-c3nccs3)N(Cc3cccc(c3)-c3nccs3)C2=O)C#CC2CC2)CC1 InChI=1S/C42H38N4O2S3/c1-48-35-14-16-41(17-15-35)25-34-13-12-29(11-10-28-8-9-28)24-36(34)42(41)39(47)46(26-30-4-2-6-32(22-30)37-43-18-20-49-37)40(45-42)51-27-31-5-3-7-33(23-31)38-44-19-21-50-38/h2-7,12-13,18-24,28,35H,8-9,14-17,25-27H2,1H3 GFLPGCQYUGMVHY-UHFFFAOYSA-N 404032 US10336717, Compound 324 Beta-secretase 1 Homo sapiens 10.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404032&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371287 405255369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806759 COC1CCC2(Cc3ccc(cc3C22N=C(SCCN(C)C)N(CCN(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C30H42N4O2S/c1-32(2)16-17-34-27(35)30(31-28(34)37-19-18-33(3)4)26-20-23(9-8-22-6-7-22)10-11-24(26)21-29(30)14-12-25(36-5)13-15-29/h10-11,20,22,25H,6-7,12-19,21H2,1-5H3 IQJSSGBLSQRVHL-UHFFFAOYSA-N 404033 US10336717, Compound 325 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219659 405255370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806760 COC1CCC2(Cc3ccc(cc3C22N=C(SCCC(F)(F)F)N(CCC(F)(F)F)C2=O)C#CC2CC2)CC1 InChI=1S/C28H30F6N2O2S/c1-38-21-8-10-25(11-9-21)17-20-7-6-19(5-4-18-2-3-18)16-22(20)28(25)23(37)36(14-12-26(29,30)31)24(35-28)39-15-13-27(32,33)34/h6-7,16,18,21H,2-3,8-15,17H2,1H3 WNPORQPHWABGMN-UHFFFAOYSA-N 404034 US10336717, Compound 326 Beta-secretase 1 Homo sapiens 16.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197488 405255371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806761 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3cnc4ccccc4n3)C2=O)C#CC2CC2)CC1 InChI=1S/C31H31N5O2/c1-38-24-12-14-30(15-13-24)17-22-11-10-21(9-8-20-6-7-20)16-25(22)31(30)28(37)36(29(32)35-31)19-23-18-33-26-4-2-3-5-27(26)34-23/h2-5,10-11,16,18,20,24H,6-7,12-15,17,19H2,1H3,(H2,32,35) NBZSNBFNDOADTJ-UHFFFAOYSA-N 404035 US10336717, Compound 327 Beta-secretase 1 Homo sapiens 5.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371290 405255372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806762 CO[C@@H](CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1)c1ccccc1 InChI=1S/C31H35N3O3/c1-36-25-14-16-30(17-15-25)19-24-13-12-22(11-10-21-8-9-21)18-26(24)31(30)28(35)34(29(32)33-31)20-27(37-2)23-6-4-3-5-7-23/h3-7,12-13,18,21,25,27H,8-9,14-17,19-20H2,1-2H3,(H2,32,33)/t25?,27-,30?,31?/m0/s1 UQCFTWDHYVWKAF-ZXUSTRJYSA-N 404036 US10336717, Compound 328 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404036&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198288 405255373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806763 COCCCSC1=NC2(C(=O)N1CCCOC)c1cc(CCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C30H44N2O4S/c1-34-17-4-16-32-27(33)30(31-28(32)37-19-5-18-35-2)26-20-23(9-8-22-6-7-22)10-11-24(26)21-29(30)14-12-25(36-3)13-15-29/h10-11,20,22,25H,4-9,12-19,21H2,1-3H3 HJACFGCPOYZABI-UHFFFAOYSA-N 404037 US10336717, Compound 329 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198030 405255374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806764 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCN(C)C3)N(CC3CCN(C)C3)C2=O)C#CC2CC2)CC1 InChI=1S/C34H46N4O2S/c1-36-16-12-26(20-36)22-38-31(39)34(35-32(38)41-23-27-13-17-37(2)21-27)30-18-25(7-6-24-4-5-24)8-9-28(30)19-33(34)14-10-29(40-3)11-15-33/h8-9,18,24,26-27,29H,4-5,10-17,19-23H2,1-3H3 GNDPHSGXXUSCGI-UHFFFAOYSA-N 404038 US10336717, Compound 330 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197026 405255375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806765 COC1CCC2(Cc3ccc(Br)cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)CC1 InChI=1S/C27H35BrN2O4S/c1-32-20-8-10-26(11-9-20)15-18-6-7-19(28)14-23(18)27(26)24(31)30(16-21-4-2-12-33-21)25(29-27)35-17-22-5-3-13-34-22/h6-7,14,20-22H,2-5,8-13,15-17H2,1H3 BYIBFTWWTIOCHR-UHFFFAOYSA-N 404039 US10336717, Compound 331 Beta-secretase 1 Homo sapiens 30.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196979 405255376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806766 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(CC3CCCO3)C2=O)CC1 InChI=1S/C22H28BrN3O3/c1-28-16-6-8-21(9-7-16)12-14-4-5-15(23)11-18(14)22(21)19(27)26(20(24)25-22)13-17-3-2-10-29-17/h4-5,11,16-17H,2-3,6-10,12-13H2,1H3,(H2,24,25) YKJDKTRTFFLQOM-UHFFFAOYSA-N 195266 US10336717, Compound 332::US9212153, 331,Ex. 280 Beta-secretase 1 Homo sapiens 34.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197922 318150956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806767 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3 LNXYUNBLWKXXBO-UHFFFAOYSA-N 404041 US10336717, Compound 333::US10336717, Compound 334::US10336717, Compound 335::US10336717, Compound 336::US10336717, Compound 337 Beta-secretase 1 Homo sapiens 11.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197328 405255377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806768 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3 LNXYUNBLWKXXBO-UHFFFAOYSA-N 404041 US10336717, Compound 333::US10336717, Compound 334::US10336717, Compound 335::US10336717, Compound 336::US10336717, Compound 337 Beta-secretase 1 Homo sapiens 1.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197328 405255377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806769 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3 LNXYUNBLWKXXBO-UHFFFAOYSA-N 404041 US10336717, Compound 333::US10336717, Compound 334::US10336717, Compound 335::US10336717, Compound 336::US10336717, Compound 337 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197328 405255377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806770 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3 LNXYUNBLWKXXBO-UHFFFAOYSA-N 404041 US10336717, Compound 333::US10336717, Compound 334::US10336717, Compound 335::US10336717, Compound 336::US10336717, Compound 337 Beta-secretase 1 Homo sapiens 207 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197328 405255377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806771 COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1 InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3 LNXYUNBLWKXXBO-UHFFFAOYSA-N 404041 US10336717, Compound 333::US10336717, Compound 334::US10336717, Compound 335::US10336717, Compound 336::US10336717, Compound 337 Beta-secretase 1 Homo sapiens 262 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197328 405255377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806772 COC1CCC2(Cc3ccc(Br)cc3C22N=C(SCC(F)(F)F)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C21H21BrF6N2O2S/c1-32-14-4-6-18(7-5-14)9-12-2-3-13(22)8-15(12)21(18)16(31)30(10-19(23,24)25)17(29-21)33-11-20(26,27)28/h2-3,8,14H,4-7,9-11H2,1H3 VMIHIQLMXZSNPL-UHFFFAOYSA-N 404046 US10336717, Compound 338 Beta-secretase 1 Homo sapiens 19.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88217644 405255378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806773 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(CC(F)(F)F)C2=O)-c2cncc(c2)C#N)CC1 InChI=1S/C25H24F3N5O2/c1-35-19-4-6-23(7-5-19)10-17-3-2-16(18-8-15(11-29)12-31-13-18)9-20(17)25(23)21(34)33(22(30)32-25)14-24(26,27)28/h2-3,8-9,12-13,19H,4-7,10,14H2,1H3,(H2,30,32) NIPJVPDWJZJTCH-UHFFFAOYSA-N 404047 US10336717, Compound 339 Beta-secretase 1 Homo sapiens 22.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391930 405255379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806774 COC1CCC2(Cc3ccc(Br)cc3C22N=C(NC(=O)OC(C)(C)C)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C24H29BrF3N3O4/c1-21(2,3)35-20(33)29-19-30-24(18(32)31(19)13-23(26,27)28)17-11-15(25)6-5-14(17)12-22(24)9-7-16(34-4)8-10-22/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,29,30,33) GRGNZZUYSMBQRT-UHFFFAOYSA-N 404048 US10336717, Compound 340 Beta-secretase 1 Homo sapiens 316 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371291 405255380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806775 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(SCC(F)(F)F)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C25H28F6N2O3S/c1-35-17-6-8-22(9-7-17)11-16-4-5-18(36-12-15-2-3-15)10-19(16)25(22)20(34)33(13-23(26,27)28)21(32-25)37-14-24(29,30)31/h4-5,10,15,17H,2-3,6-9,11-14H2,1H3 KJFIUHZBWOAFQC-UHFFFAOYSA-N 404049 US10336717, Compound 341 Beta-secretase 1 Homo sapiens 13.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197087 405255381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806776 COC1CCC2(Cc3ccc(cc3C22N=C(S[C@@H](C)c3ccccc3)N([C@H](C)c3ccccc3)C2=O)C#CC2CC2)CC1 InChI=1S/C38H40N2O2S/c1-26(30-10-6-4-7-11-30)40-35(41)38(39-36(40)43-27(2)31-12-8-5-9-13-31)34-24-29(17-16-28-14-15-28)18-19-32(34)25-37(38)22-20-33(42-3)21-23-37/h4-13,18-19,24,26-28,33H,14-15,20-23,25H2,1-3H3/t26-,27+,33?,37?,38?/m1/s1 CZBCJPVQEOXLLA-KIBMCOPJSA-N 404050 US10336717, Compound 342 Beta-secretase 1 Homo sapiens 37.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197991 405255382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806777 COC1CCC2(Cc3ccc(cc3C22N=C(SCCCN(C)C)N(CCCN(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C32H46N4O2S/c1-34(2)18-6-20-36-29(37)32(33-30(36)39-21-7-19-35(3)4)28-22-25(11-10-24-8-9-24)12-13-26(28)23-31(32)16-14-27(38-5)15-17-31/h12-13,22,24,27H,6-9,14-21,23H2,1-5H3 ISDBSNDXTFDBIA-UHFFFAOYSA-N 404051 US10336717, Compound 343 Beta-secretase 1 Homo sapiens 21970 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198038 405255383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806778 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCC(F)(F)F)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C26H30F6N2O2S/c1-36-19-8-10-23(11-9-19)13-18-7-6-17(5-4-16-2-3-16)12-20(18)26(23)21(35)34(14-24(27,28)29)22(33-26)37-15-25(30,31)32/h6-7,12,16,19H,2-5,8-11,13-15H2,1H3 RBWFUAKQLJBKQJ-UHFFFAOYSA-N 404052 US10336717, Compound 345 Beta-secretase 1 Homo sapiens 61.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197797 405255384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806779 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3nccs3)C2=O)CC1 InChI=1S/C26H32N4O2S/c1-32-20-8-10-25(11-9-20)15-19-7-6-18(5-4-17-2-3-17)14-21(19)26(25)23(31)30(24(27)29-26)16-22-28-12-13-33-22/h6-7,12-14,17,20H,2-5,8-11,15-16H2,1H3,(H2,27,29) VZEUPFDLZQZAEN-UHFFFAOYSA-N 404053 US10336717, Compound 346 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371293 405255385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806780 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCC3)C2=O)CC1 InChI=1S/C27H37N3O2/c1-32-22-11-13-26(14-12-22)16-21-10-9-19(8-7-18-5-6-18)15-23(21)27(26)24(31)30(25(28)29-27)17-20-3-2-4-20/h9-10,15,18,20,22H,2-8,11-14,16-17H2,1H3,(H2,28,29) RAJBLBFKNGKAAC-UHFFFAOYSA-N 195273 US10336717, Compound 347::US9212153, 347,Ex. 292 Beta-secretase 1 Homo sapiens 20.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198346 318150962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806781 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCCO3)C2=O)CC1 InChI=1S/C27H37N3O3/c1-32-21-10-12-26(13-11-21)16-20-9-8-19(7-6-18-4-5-18)15-23(20)27(26)24(31)30(25(28)29-27)17-22-3-2-14-33-22/h8-9,15,18,21-22H,2-7,10-14,16-17H2,1H3,(H2,28,29) CCGFQTFGMQPCOG-UHFFFAOYSA-N 195274 US10336717, Compound 348::US9212153, 348,Ex. 293 Beta-secretase 1 Homo sapiens 12.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196998 318150963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806782 CCC(CC)CSC1=NC2(C(=O)N1CC(CC)CC)c1cc(CCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C34H52N2O2S/c1-6-24(7-2)22-36-31(37)34(35-32(36)39-23-25(8-3)9-4)30-20-27(13-12-26-10-11-26)14-15-28(30)21-33(34)18-16-29(38-5)17-19-33/h14-15,20,24-26,29H,6-13,16-19,21-23H2,1-5H3 WYONJCMFIZYEGT-UHFFFAOYSA-N 404056 US10336717, Compound 349 Beta-secretase 1 Homo sapiens 16.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198328 405255386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806783 COCC(C)N1C(N)=N[C@@]2(C1=O)c1cc(CCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C26H37N3O3/c1-17(16-31-2)29-23(30)26(28-24(29)27)22-14-19(7-6-18-4-5-18)8-9-20(22)15-25(26)12-10-21(32-3)11-13-25/h8-9,14,17-18,21H,4-7,10-13,15-16H2,1-3H3,(H2,27,28)/t17?,21?,25?,26-/m1/s1 MVNFTSJOKCJMGW-DZKNABIYSA-N 404057 US10336717, Compound 350 Beta-secretase 1 Homo sapiens 482 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198282 405255387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806784 COCC(C)N1C(N)=N[C@]2(C1=O)c1cc(CCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C26H37N3O3/c1-17(16-31-2)29-23(30)26(28-24(29)27)22-14-19(7-6-18-4-5-18)8-9-20(22)15-25(26)12-10-21(32-3)11-13-25/h8-9,14,17-18,21H,4-7,10-13,15-16H2,1-3H3,(H2,27,28)/t17?,21?,25?,26-/m0/s1 MVNFTSJOKCJMGW-FAJODFFHSA-N 404058 US10336717, Compound 351 Beta-secretase 1 Homo sapiens 39.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197067 405255388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806785 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3ccccc3)N(Cc3ccccc3)C2=O)CC1 InChI=1S/C36H40N2O2S/c1-40-31-18-20-35(21-19-31)23-30-17-16-27(15-14-26-12-13-26)22-32(30)36(35)33(39)38(24-28-8-4-2-5-9-28)34(37-36)41-25-29-10-6-3-7-11-29/h2-11,16-17,22,26,31H,12-15,18-21,23-25H2,1H3 JHJRKXGJRCJASB-UHFFFAOYSA-N 404059 US10336717, Compound 352 Beta-secretase 1 Homo sapiens 22.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198338 405255389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806786 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3cccc(F)c3)N(Cc3cccc(F)c3)C2=O)CC1 InChI=1S/C36H38F2N2O2S/c1-42-31-14-16-35(17-15-31)21-28-13-12-25(11-10-24-8-9-24)20-32(28)36(35)33(41)40(22-26-4-2-6-29(37)18-26)34(39-36)43-23-27-5-3-7-30(38)19-27/h2-7,12-13,18-20,24,31H,8-11,14-17,21-23H2,1H3 NAPSISSCFIEWAI-UHFFFAOYSA-N 404060 US10336717, Compound 353 Beta-secretase 1 Homo sapiens 15.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197230 405255390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806787 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3ccccc3F)N(Cc3ccccc3F)C2=O)CC1 InChI=1S/C36H38F2N2O2S/c1-42-29-16-18-35(19-17-29)21-26-15-14-25(13-12-24-10-11-24)20-30(26)36(35)33(41)40(22-27-6-2-4-8-31(27)37)34(39-36)43-23-28-7-3-5-9-32(28)38/h2-9,14-15,20,24,29H,10-13,16-19,21-23H2,1H3 FWUNMVQAPYOYEF-UHFFFAOYSA-N 404061 US10336717, Compound 354 Beta-secretase 1 Homo sapiens 47.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198190 405255391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806788 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3cccc(c3)C#N)N(Cc3cccc(c3)C#N)C2=O)CC1 InChI=1S/C38H38N4O2S/c1-44-33-14-16-37(17-15-33)21-32-13-12-27(11-10-26-8-9-26)20-34(32)38(37)35(43)42(24-30-6-2-4-28(18-30)22-39)36(41-38)45-25-31-7-3-5-29(19-31)23-40/h2-7,12-13,18-20,26,33H,8-11,14-17,21,24-25H2,1H3 FXHSGLWPPBTNKB-UHFFFAOYSA-N 404062 US10336717, Compound 355 Beta-secretase 1 Homo sapiens 62.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70219067 405255392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806789 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3cccc(OC)c3)N(Cc3cccc(OC)c3)C2=O)CC1 InChI=1S/C38H44N2O4S/c1-42-31-16-18-37(19-17-31)23-30-15-14-27(13-12-26-10-11-26)22-34(30)38(37)35(41)40(24-28-6-4-8-32(20-28)43-2)36(39-38)45-25-29-7-5-9-33(21-29)44-3/h4-9,14-15,20-22,26,31H,10-13,16-19,23-25H2,1-3H3 JUAJEUNRDDQXRN-UHFFFAOYSA-N 404063 US10336717, Compound 356 Beta-secretase 1 Homo sapiens 192 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197942 405255393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806790 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3ccc(F)cn3)N(Cc3ccc(F)cn3)C2=O)CC1 InChI=1S/C34H36F2N4O2S/c1-42-29-12-14-33(15-13-29)17-24-7-6-23(5-4-22-2-3-22)16-30(24)34(33)31(41)40(20-27-10-8-25(35)18-37-27)32(39-34)43-21-28-11-9-26(36)19-38-28/h6-11,16,18-19,22,29H,2-5,12-15,17,20-21H2,1H3 HVNBQUXLGOJYJX-UHFFFAOYSA-N 404064 US10336717, Compound 357 Beta-secretase 1 Homo sapiens 12.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404064&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197784 405255394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806791 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccc(F)cc3)C2=O)CC1 InChI=1S/C29H34FN3O2/c1-35-24-12-14-28(15-13-24)17-22-9-6-20(5-4-19-2-3-19)16-25(22)29(28)26(34)33(27(31)32-29)18-21-7-10-23(30)11-8-21/h6-11,16,19,24H,2-5,12-15,17-18H2,1H3,(H2,31,32) JZJGAVDPMZJRQI-UHFFFAOYSA-N 404065 US10336717, Compound 359 Beta-secretase 1 Homo sapiens 14.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197427 405255395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806792 COC1CCC2(Cc3ccc(CCC4CC4)cc3[C@@]22N=C(N)N([C@@H](C)c3ccccc3)C2=O)CC1 InChI=1S/C30H37N3O2/c1-20(23-6-4-3-5-7-23)33-27(34)30(32-28(33)31)26-18-22(11-10-21-8-9-21)12-13-24(26)19-29(30)16-14-25(35-2)15-17-29/h3-7,12-13,18,20-21,25H,8-11,14-17,19H2,1-2H3,(H2,31,32)/t20-,25?,29?,30-/m0/s1 YPQNTNYTBLDULA-FKEAQAKPSA-N 195526 US10336717, Compound 360::US9212153, 361,Ex. 304 Beta-secretase 1 Homo sapiens 97.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198104 318151169 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806793 COC1CCC2(Cc3ccc(CCC4CC4)cc3[C@]22N=C(N)N([C@@H](C)c3ccccc3)C2=O)CC1 InChI=1S/C30H37N3O2/c1-20(23-6-4-3-5-7-23)33-27(34)30(32-28(33)31)26-18-22(11-10-21-8-9-21)12-13-24(26)19-29(30)16-14-25(35-2)15-17-29/h3-7,12-13,18,20-21,25H,8-11,14-17,19H2,1-2H3,(H2,31,32)/t20-,25?,29?,30+/m0/s1 YPQNTNYTBLDULA-DOOXTUAFSA-N 195284 US10336717, Compound 361::US9212153, 360,Ex. 304 Beta-secretase 1 Homo sapiens 186 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197050 318150973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806794 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N([C@H](C)c3ccccc3)C2=O)CC1 InChI=1S/C30H37N3O2/c1-20(23-6-4-3-5-7-23)33-27(34)30(32-28(33)31)26-18-22(11-10-21-8-9-21)12-13-24(26)19-29(30)16-14-25(35-2)15-17-29/h3-7,12-13,18,20-21,25H,8-11,14-17,19H2,1-2H3,(H2,31,32)/t20-,25?,29?,30?/m1/s1 YPQNTNYTBLDULA-UHFXBORVSA-N 404068 US10336717, Compound 362 Beta-secretase 1 Homo sapiens 81.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197733 405255396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806795 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CCc3ccccc3)C2=O)CC1 InChI=1S/C30H37N3O2/c1-35-25-13-16-29(17-14-25)20-24-12-11-23(10-9-22-7-8-22)19-26(24)30(29)27(34)33(28(31)32-30)18-15-21-5-3-2-4-6-21/h2-6,11-12,19,22,25H,7-10,13-18,20H2,1H3,(H2,31,32) SSKXUMRHDUORLO-UHFFFAOYSA-N 404069 US10336717, Compound 363 Beta-secretase 1 Homo sapiens 17.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404069&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197905 405255397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806796 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccccc3Cl)C2=O)CC1 InChI=1S/C29H34ClN3O2/c1-35-23-12-14-28(15-13-23)17-21-11-10-20(9-8-19-6-7-19)16-24(21)29(28)26(34)33(27(31)32-29)18-22-4-2-3-5-25(22)30/h2-5,10-11,16,19,23H,6-9,12-15,17-18H2,1H3,(H2,31,32) RPVAZJUTFQKDKG-UHFFFAOYSA-N 404070 US10336717, Compound 364 Beta-secretase 1 Homo sapiens 24.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198329 405255398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806797 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccc(cn3)C(F)(F)F)C2=O)CC1 InChI=1S/C29H33F3N4O2/c1-38-23-10-12-27(13-11-23)15-20-7-6-19(5-4-18-2-3-18)14-24(20)28(27)25(37)36(26(33)35-28)17-22-9-8-21(16-34-22)29(30,31)32/h6-9,14,16,18,23H,2-5,10-13,15,17H2,1H3,(H2,33,35) DYEAVJSNAPJOKL-UHFFFAOYSA-N 404071 US10336717, Compound 365 Beta-secretase 1 Homo sapiens 24.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404071&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198246 405255399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806798 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccccn3)C2=O)CC1 InChI=1S/C28H34N4O2/c1-34-23-11-13-27(14-12-23)17-21-10-9-20(8-7-19-5-6-19)16-24(21)28(27)25(33)32(26(29)31-28)18-22-4-2-3-15-30-22/h2-4,9-10,15-16,19,23H,5-8,11-14,17-18H2,1H3,(H2,29,31) GMRAAWWRBRNSQO-UHFFFAOYSA-N 404072 US10336717, Compound 367 Beta-secretase 1 Homo sapiens 15.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197501 405255400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806799 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3cccc(c3)N(C)C)C2=O)CC1 InChI=1S/C31H40N4O2/c1-34(2)25-6-4-5-23(17-25)20-35-28(36)31(33-29(35)32)27-18-22(10-9-21-7-8-21)11-12-24(27)19-30(31)15-13-26(37-3)14-16-30/h4-6,11-12,17-18,21,26H,7-10,13-16,19-20H2,1-3H3,(H2,32,33) ZNLRYNNEKPOOMU-UHFFFAOYSA-N 404073 US10336717, Compound 368 Beta-secretase 1 Homo sapiens 24.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404073&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197940 405255401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806800 COCCN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C25H35N3O3/c1-30-14-13-28-22(29)25(27-23(28)26)21-15-18(6-5-17-3-4-17)7-8-19(21)16-24(25)11-9-20(31-2)10-12-24/h7-8,15,17,20H,3-6,9-14,16H2,1-2H3,(H2,26,27) AJANKWAQSZASAI-UHFFFAOYSA-N 404074 US10336717, Compound 369 Beta-secretase 1 Homo sapiens 13.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404074&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197790 405255402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806801 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCOC3)C2=O)CC1 InChI=1S/C27H37N3O3/c1-32-22-8-11-26(12-9-22)15-21-7-6-19(5-4-18-2-3-18)14-23(21)27(26)24(31)30(25(28)29-27)16-20-10-13-33-17-20/h6-7,14,18,20,22H,2-5,8-13,15-17H2,1H3,(H2,28,29) YKMVGDGYGSYQOR-UHFFFAOYSA-N 404075 US10336717, Compound 370 Beta-secretase 1 Homo sapiens 3.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404075&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197592 405255403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806802 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CCC(F)(F)F)C2=O)CC1 InChI=1S/C25H32F3N3O2/c1-33-19-8-10-23(11-9-19)15-18-7-6-17(5-4-16-2-3-16)14-20(18)25(23)21(32)31(22(29)30-25)13-12-24(26,27)28/h6-7,14,16,19H,2-5,8-13,15H2,1H3,(H2,29,30) TWPAIDDCERWFCM-UHFFFAOYSA-N 404076 US10336717, Compound 371 Beta-secretase 1 Homo sapiens 24.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404076&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197900 405255404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806803 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCN(CC3)C(C)=O)C2=O)CC1 InChI=1S/C30H42N4O3/c1-20(35)33-15-11-23(12-16-33)19-34-27(36)30(32-28(34)31)26-17-22(6-5-21-3-4-21)7-8-24(26)18-29(30)13-9-25(37-2)10-14-29/h7-8,17,21,23,25H,3-6,9-16,18-19H2,1-2H3,(H2,31,32) OWMATBZKBCPURT-UHFFFAOYSA-N 404077 US10336717, Compound 372 Beta-secretase 1 Homo sapiens 9.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404077&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197034 405255405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806804 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCN(CC3)S(C)(=O)=O)C2=O)CC1 InChI=1S/C29H42N4O4S/c1-37-24-9-13-28(14-10-24)18-23-8-7-21(6-5-20-3-4-20)17-25(23)29(28)26(34)33(27(30)31-29)19-22-11-15-32(16-12-22)38(2,35)36/h7-8,17,20,22,24H,3-6,9-16,18-19H2,1-2H3,(H2,30,31) NQXPWUXNXKQULD-UHFFFAOYSA-N 404078 US10336717, Compound 373 Beta-secretase 1 Homo sapiens 13.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404078&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371296 405255406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806805 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C24H31F2N3O2/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)29(14-20(25)26)22(27)28-24/h6-7,12,15,18,20H,2-5,8-11,13-14H2,1H3,(H2,27,28) MUGBBRLBYJHYCQ-UHFFFAOYSA-N 404079 US10336717, Compound 374 Beta-secretase 1 Homo sapiens 28.9 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404079&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197207 405255407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806806 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3cscn3)N(Cc3cscn3)C2=O)CC1 InChI=1S/C30H34N4O2S3/c1-36-25-8-10-29(11-9-25)13-22-7-6-21(5-4-20-2-3-20)12-26(22)30(29)27(35)34(14-23-15-37-18-31-23)28(33-30)39-17-24-16-38-19-32-24/h6-7,12,15-16,18-20,25H,2-5,8-11,13-14,17H2,1H3 VOVVDNUEANTMKQ-UHFFFAOYSA-N 404080 US10336717, Compound 375 Beta-secretase 1 Homo sapiens 8.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404080&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197774 405255408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806807 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCC3CCOCC3)C(CC3CCOCC3)C2=O)CC1 InChI=1S/C35H49NO4S/c1-38-29-8-14-34(15-9-29)22-28-7-6-25(5-4-24-2-3-24)21-31(28)35(34)32(37)30(20-26-10-16-39-17-11-26)33(36-35)41-23-27-12-18-40-19-13-27/h6-7,21,24,26-27,29-30H,2-5,8-20,22-23H2,1H3 UWYHJLBQCIODCC-UHFFFAOYSA-N 404081 US10336717, Compound 376 Beta-secretase 1 Homo sapiens 11.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404081&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122548002 405255409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806808 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCC3CCO3)N(CC3CCO3)C2=O)CC1 InChI=1S/C30H40N2O4S/c1-34-23-8-12-29(13-9-23)17-22-7-6-21(5-4-20-2-3-20)16-26(22)30(29)27(33)32(18-24-10-14-35-24)28(31-30)37-19-25-11-15-36-25/h6-7,16,20,23-25H,2-5,8-15,17-19H2,1H3 GOVZEHOKMROFCF-UHFFFAOYSA-N 404082 US10336717, Compound 377 Beta-secretase 1 Homo sapiens 16.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197395 405255410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806809 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCCc3nccs3)N(CCc3nccs3)C2=O)CC1 InChI=1S/C32H38N4O2S3/c1-38-25-8-12-31(13-9-25)21-24-7-6-23(5-4-22-2-3-22)20-26(24)32(31)29(37)36(16-10-27-33-14-18-39-27)30(35-32)41-17-11-28-34-15-19-40-28/h6-7,14-15,18-20,22,25H,2-5,8-13,16-17,21H2,1H3 WXYOFQMLTWBBAM-UHFFFAOYSA-N 404083 US10336717, Compound 378 Beta-secretase 1 Homo sapiens 19.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404083&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198159 405255411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806810 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCO3)C2=O)CC1 InChI=1S/C26H35N3O3/c1-31-20-8-11-25(12-9-20)15-19-7-6-18(5-4-17-2-3-17)14-22(19)26(25)23(30)29(24(27)28-26)16-21-10-13-32-21/h6-7,14,17,20-21H,2-5,8-13,15-16H2,1H3,(H2,27,28) BOGVCEHXIZOGEN-UHFFFAOYSA-N 195299 US10336717, Compound 380::US9212153, 377,Ex. 320 Beta-secretase 1 Homo sapiens 887 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197531 318150987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806811 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCO3)C2=O)CC1 InChI=1S/C26H35N3O3/c1-31-20-8-11-25(12-9-20)15-19-7-6-18(5-4-17-2-3-17)14-22(19)26(25)23(30)29(24(27)28-26)16-21-10-13-32-21/h6-7,14,17,20-21H,2-5,8-13,15-16H2,1H3,(H2,27,28) BOGVCEHXIZOGEN-UHFFFAOYSA-N 195299 US10336717, Compound 380::US9212153, 377,Ex. 320 Beta-secretase 1 Homo sapiens 416 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197531 318150987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806812 CCC(C)N1C(N)=NC2(C1=O)c1cc(OCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C25H35N3O3/c1-4-16(2)28-22(29)25(27-23(28)26)21-13-20(31-15-17-5-6-17)8-7-18(21)14-24(25)11-9-19(30-3)10-12-24/h7-8,13,16-17,19H,4-6,9-12,14-15H2,1-3H3,(H2,26,27) IKXMAUKEIFUWPS-UHFFFAOYSA-N 404086 US10336717, Compound 382 Beta-secretase 1 Homo sapiens 29.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404086&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197689 405255412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806813 CCCN1C(N)=NC2(C1=O)c1cc(OCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C24H33N3O3/c1-3-12-27-21(28)24(26-22(27)25)20-13-19(30-15-16-4-5-16)7-6-17(20)14-23(24)10-8-18(29-2)9-11-23/h6-7,13,16,18H,3-5,8-12,14-15H2,1-2H3,(H2,25,26) HBOCAUHNLJNCAF-UHFFFAOYSA-N 404087 US10336717, Compound 383 Beta-secretase 1 Homo sapiens 6.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404087&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927329 405255413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806814 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccc4nccnc4c3)C2=O)CC1 InChI=1S/C31H35N5O2/c1-38-24-10-12-30(13-11-24)18-23-8-6-21(5-4-20-2-3-20)16-25(23)31(30)28(37)36(29(32)35-31)19-22-7-9-26-27(17-22)34-15-14-33-26/h6-9,14-17,20,24H,2-5,10-13,18-19H2,1H3,(H2,32,35) CWWZYMQJHPUCHE-UHFFFAOYSA-N 404088 US10336717, Compound 384 Beta-secretase 1 Homo sapiens 18.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197436 405255414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806815 CCCCN1C(N)=NC2(C1=O)c1cc(OCC3CC3)ccc1CC21CCC(CC1)OC InChI=1S/C25H35N3O3/c1-3-4-13-28-22(29)25(27-23(28)26)21-14-20(31-16-17-5-6-17)8-7-18(21)15-24(25)11-9-19(30-2)10-12-24/h7-8,14,17,19H,3-6,9-13,15-16H2,1-2H3,(H2,26,27) DOVLOSPLRAFAIB-UHFFFAOYSA-N 404089 US10336717, Compound 385 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198071 405255415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806816 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3nccs3)C2=O)CC1 InChI=1S/C26H31N3O2S2/c1-31-20-8-10-25(11-9-20)15-19-7-6-18(5-4-17-2-3-17)14-21(19)26(25)23(30)29(24(32)28-26)16-22-27-12-13-33-22/h6-7,12-14,17,20H,2-5,8-11,15-16H2,1H3,(H,28,32) SFXOOLHITAMXHB-UHFFFAOYSA-N 404090 US10336717, Compound 386 Beta-secretase 1 Homo sapiens 7.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88217455 405255416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806817 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccc(cc3)C#N)C2=O)CC1 InChI=1S/C30H34N4O2/c1-36-25-12-14-29(15-13-25)17-24-11-10-21(5-4-20-2-3-20)16-26(24)30(29)27(35)34(28(32)33-30)19-23-8-6-22(18-31)7-9-23/h6-11,16,20,25H,2-5,12-15,17,19H2,1H3,(H2,32,33) FEASUUSJHPORHM-UHFFFAOYSA-N 195308 US10336717, Compound 387::US9212153, 388,Ex. 330 Beta-secretase 1 Homo sapiens 15.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197158 318150995 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806818 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3cccc(c3)S(C)(=O)=O)C2=O)CC1 InChI=1S/C30H37N3O4S/c1-37-24-12-14-29(15-13-24)18-23-11-10-21(9-8-20-6-7-20)17-26(23)30(29)27(34)33(28(31)32-30)19-22-4-3-5-25(16-22)38(2,35)36/h3-5,10-11,16-17,20,24H,6-9,12-15,18-19H2,1-2H3,(H2,31,32) SLKWBMJMDIKINN-UHFFFAOYSA-N 404092 US10336717, Compound 388 Beta-secretase 1 Homo sapiens 15.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404092&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197347 405255417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806819 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22NC(=O)N(Cc3ccccc3)C2=O)CC1 InChI=1S/C24H25BrN2O3/c1-30-19-9-11-23(12-10-19)14-17-7-8-18(25)13-20(17)24(23)21(28)27(22(29)26-24)15-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29)/t19-,23-,24? DALDXVZWVAVOKE-AHLJTMJASA-N 195309 US10336717, Compound 389::US9212153, 389,Ex. 331 Beta-secretase 1 Homo sapiens 17.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197010 318150996 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806820 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#N)CC1 InChI=1S/C25H26N4O2/c1-31-20-9-11-24(12-10-20)14-19-8-7-18(15-26)13-21(19)25(24)22(30)29(23(27)28-25)16-17-5-3-2-4-6-17/h2-8,13,20H,9-12,14,16H2,1H3,(H2,27,28)/t20-,24-,25? NMSRGCDUBUNBCZ-QXONTCKQSA-N 195510 US10336717, Compound 390::US9212153, 390,Ex. 332 Beta-secretase 1 Homo sapiens 26.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70221768 318151153 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806821 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C(O)=O)CC1 InChI=1S/C25H27N3O4/c1-32-19-9-11-24(12-10-19)14-18-8-7-17(21(29)30)13-20(18)25(24)22(31)28(23(26)27-25)15-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H2,26,27)(H,29,30)/t19-,24-,25? BMTRMIWZJLGIAV-SSEMJGATSA-N 195310 US10336717, Compound 391::US9212153, 391,Ex. 332 Beta-secretase 1 Homo sapiens 566 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391761 318150997 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806822 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22NC(=O)N(C(C)c3cccnn3)C2=O)CC1 InChI=1S/C23H25BrN4O3/c1-14(19-4-3-11-25-27-19)28-20(29)23(26-21(28)30)18-12-16(24)6-5-15(18)13-22(23)9-7-17(31-2)8-10-22/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,26,30)/t14?,17-,22-,23? QVVTZBLTYKFIJL-NQQVHEAHSA-N 195311 US10336717, Compound 392::US9212153, 392,Ex. 333 Beta-secretase 1 Homo sapiens 353 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197493 318150998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806823 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(N)N(C(C)c3cccnn3)C2=O)CC1 InChI=1S/C23H26BrN5O2/c1-14(19-4-3-11-26-28-19)29-20(30)23(27-21(29)25)18-12-16(24)6-5-15(18)13-22(23)9-7-17(31-2)8-10-22/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H2,25,27)/t14?,17-,22-,23? XIYPCUWSTIVEDO-NQQVHEAHSA-N 404097 US10336717, Compound 393 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404097&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197335 405255418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806824 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C22H22BrN3O/c1-26-19(27)22(25-20(26)24)18-12-17(23)7-6-16(18)13-21(22)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H2,24,25) HJLLROHCPQJCME-UHFFFAOYSA-N 113278 US10336717, Compound 418::US8633212, 56::US9212153, 56 Beta-secretase 1 Homo sapiens 1.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197177 199994994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806825 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1 DAWZTCXCSMUINX-HHHXNRCGSA-N 195529 US10336717, Compound 397::US9212153, 397,Ex. 336 Beta-secretase 1 Homo sapiens 6.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197641 318151172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806826 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1 DAWZTCXCSMUINX-HHHXNRCGSA-N 195529 US10336717, Compound 397::US9212153, 397,Ex. 336 Beta-secretase 1 Homo sapiens 213 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197641 318151172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806827 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1 DAWZTCXCSMUINX-HHHXNRCGSA-N 195529 US10336717, Compound 397::US9212153, 397,Ex. 336 Beta-secretase 1 Homo sapiens 3.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197641 318151172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806828 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C22H22BrN3O/c1-26-19(27)22(25-20(26)24)18-12-17(23)7-6-16(18)13-21(22)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H2,24,25) HJLLROHCPQJCME-UHFFFAOYSA-N 113278 US10336717, Compound 418::US8633212, 56::US9212153, 56 Beta-secretase 1 Homo sapiens 33.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197177 199994994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806829 CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C27H30BrN3O3/c1-25(2,3)34-24(33)29-23-30-27(22(32)31(23)4)21-15-20(28)10-9-19(21)16-26(27)13-11-17-7-5-6-8-18(17)12-14-26/h5-10,15H,11-14,16H2,1-4H3,(H,29,30,33) HZSJWAZXBGFOMU-UHFFFAOYSA-N 404103 US10336717, Compound 399::US10336717, Compound 400 Beta-secretase 1 Homo sapiens 74.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197053 405255419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806830 CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C27H30BrN3O3/c1-25(2,3)34-24(33)29-23-30-27(22(32)31(23)4)21-15-20(28)10-9-19(21)16-26(27)13-11-17-7-5-6-8-18(17)12-14-26/h5-10,15H,11-14,16H2,1-4H3,(H,29,30,33) HZSJWAZXBGFOMU-UHFFFAOYSA-N 404103 US10336717, Compound 399::US10336717, Compound 400 Beta-secretase 1 Homo sapiens 43.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197053 405255419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806831 CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1CC21CCc2ccccc2CC1 InChI=1S/C27H31N3O/c1-30-24(31)27(29-25(30)28)23-16-19(9-8-18-6-7-18)10-11-22(23)17-26(27)14-12-20-4-2-3-5-21(20)13-15-26/h2-5,10-11,16,18H,6-9,12-15,17H2,1H3,(H2,28,29) NQMFZVVRZKPLHM-UHFFFAOYSA-N 195321 US10336717, Compound 401::US9212153, 401,Ex. 340 Beta-secretase 1 Homo sapiens 25.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70221473 318151005 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806832 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#CC1CC1 InChI=1S/C27H27N3O/c1-30-24(31)27(29-25(30)28)23-16-19(9-8-18-6-7-18)10-11-22(23)17-26(27)14-12-20-4-2-3-5-21(20)13-15-26/h2-5,10-11,16,18H,6-7,12-15,17H2,1H3,(H2,28,29) GAHLGGUECLVMPL-UHFFFAOYSA-N 195322 US10336717, Compound 402::US9212153, 402,Ex. 341 Beta-secretase 1 Homo sapiens 72.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197490 318151006 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806833 COc1ccc2CC3(CCc4ccccc4CC3)C3(NC(=S)N(C)C3=O)c2c1 InChI=1S/C23H24N2O2S/c1-25-20(26)23(24-21(25)28)19-13-18(27-2)8-7-17(19)14-22(23)11-9-15-5-3-4-6-16(15)10-12-22/h3-8,13H,9-12,14H2,1-2H3,(H,24,28) FDRNGBVSJYLNOY-UHFFFAOYSA-N 404107 US10336717, Compound 404 Beta-secretase 1 Homo sapiens 46.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404107&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197441 405255420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806834 COCCOc1ccc2CC3(CCc4ccccc4CC3)[C@@]3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C25H29N3O3/c1-28-22(29)25(27-23(28)26)21-15-20(31-14-13-30-2)8-7-19(21)16-24(25)11-9-17-5-3-4-6-18(17)10-12-24/h3-8,15H,9-14,16H2,1-2H3,(H2,26,27)/t25-/m1/s1 POLZCCUTPWPTRJ-RUZDIDTESA-N 195531 US10336717, Compound 407::US9212153, 407,Ex. 344 Beta-secretase 1 Homo sapiens 11.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197921 318151174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806835 COCCOc1ccc2CC3(CCc4ccccc4CC3)[C@]3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C25H29N3O3/c1-28-22(29)25(27-23(28)26)21-15-20(31-14-13-30-2)8-7-19(21)16-24(25)11-9-17-5-3-4-6-18(17)10-12-24/h3-8,15H,9-14,16H2,1-2H3,(H2,26,27)/t25-/m0/s1 POLZCCUTPWPTRJ-VWLOTQADSA-N 195530 US10336717, Compound 406::US9212153, 406,Ex. 344 Beta-secretase 1 Homo sapiens 6.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197694 318151173 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806836 COCCOc1ccc2CC3(CCc4ccccc4CC3)[C@@]3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C25H29N3O3/c1-28-22(29)25(27-23(28)26)21-15-20(31-14-13-30-2)8-7-19(21)16-24(25)11-9-17-5-3-4-6-18(17)10-12-24/h3-8,15H,9-14,16H2,1-2H3,(H2,26,27)/t25-/m1/s1 POLZCCUTPWPTRJ-RUZDIDTESA-N 195531 US10336717, Compound 407::US9212153, 407,Ex. 344 Beta-secretase 1 Homo sapiens 2134 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197921 318151174 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806837 CN1C(=S)NC2(C1=O)c1cc(OCC3CC3)ccc1CC21CCc2ccccc2CC1 InChI=1S/C26H28N2O2S/c1-28-23(29)26(27-24(28)31)22-14-21(30-16-17-6-7-17)9-8-20(22)15-25(26)12-10-18-4-2-3-5-19(18)11-13-25/h2-5,8-9,14,17H,6-7,10-13,15-16H2,1H3,(H,27,31) HYKLTZROXWXWJK-UHFFFAOYSA-N 404111 US10336717, Compound 408 Beta-secretase 1 Homo sapiens 9.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404111&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198353 405255421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806838 CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C24H25BrN2OS/c1-15(2)27-21(28)24(26-22(27)29)20-13-19(25)8-7-18(20)14-23(24)11-9-16-5-3-4-6-17(16)10-12-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,29) BUCYJXWZKPCBDA-UHFFFAOYSA-N 404112 US10336717, Compound 409 Beta-secretase 1 Homo sapiens 19.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404112&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198207 405255422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806839 CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C24H26BrN3O/c1-15(2)28-21(29)24(27-22(28)26)20-13-19(25)8-7-18(20)14-23(24)11-9-16-5-3-4-6-17(16)10-12-23/h3-8,13,15H,9-12,14H2,1-2H3,(H2,26,27) YXHCSMKGDYRUAO-UHFFFAOYSA-N 404113 US10336717, Compound 410 Beta-secretase 1 Homo sapiens 566 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404113&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197507 405255423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806840 CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C24H25BrN2O2/c1-15(2)27-21(28)24(26-22(27)29)20-13-19(25)8-7-18(20)14-23(24)11-9-16-5-3-4-6-17(16)10-12-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,29) AMQMDYSQBPWZOO-UHFFFAOYSA-N 404114 US10336717, Compound 411 Beta-secretase 1 Homo sapiens 91.4 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404114&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197143 405255424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806841 CC(C)N1C(=O)NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)B1OC(C)(C)C(C)(C)O1 InChI=1S/C30H37BN2O4/c1-19(2)33-25(34)30(32-26(33)35)24-17-23(31-36-27(3,4)28(5,6)37-31)12-11-22(24)18-29(30)15-13-20-9-7-8-10-21(20)14-16-29/h7-12,17,19H,13-16,18H2,1-6H3,(H,32,35) ZICHMXMNXUPEAV-UHFFFAOYSA-N 404115 US10336717, Compound 412 Beta-secretase 1 Homo sapiens 79.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404115&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198303 405255425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806842 CC(C)N1C(=S)NC2(C1=O)c1cc(OCC(F)(F)F)ccc1CC21CCc2ccccc2CC1 InChI=1S/C26H27F3N2O2S/c1-16(2)31-22(32)26(30-23(31)34)21-13-20(33-15-25(27,28)29)8-7-19(21)14-24(26)11-9-17-5-3-4-6-18(17)10-12-24/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,30,34) ZBAZZXJNYCSPHZ-UHFFFAOYSA-N 404116 US10336717, Compound 413 Beta-secretase 1 Homo sapiens 48.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404116&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88965136 405255426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806843 COCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F InChI=1S/C29H29FN4O2/c1-36-16-15-34-26(35)29(33-27(34)31)24-17-21(23-7-4-14-32-25(23)30)8-9-22(24)18-28(29)12-10-19-5-2-3-6-20(19)11-13-28/h2-9,14,17H,10-13,15-16,18H2,1H3,(H2,31,33) XADQGEBURBZDBZ-UHFFFAOYSA-N 195330 US10336717, Compound 414::US9212153, 414,Ex. 351 Beta-secretase 1 Homo sapiens 6.30 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198234 318151011 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806844 COCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cncc(F)c1 InChI=1S/C29H29FN4O2/c1-36-13-12-34-26(35)29(33-27(34)31)25-15-21(23-14-24(30)18-32-17-23)6-7-22(25)16-28(29)10-8-19-4-2-3-5-20(19)9-11-28/h2-7,14-15,17-18H,8-13,16H2,1H3,(H2,31,33) NADBTEFZTWLYKU-UHFFFAOYSA-N 195331 US10336717, Compound 415::US9212153, 415,Ex. 352 Beta-secretase 1 Homo sapiens 8.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197153 318151012 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806845 COCCN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C24H25BrN2O3/c1-30-13-12-27-21(28)24(26-22(27)29)20-14-19(25)7-6-18(20)15-23(24)10-8-16-4-2-3-5-17(16)9-11-23/h2-7,14H,8-13,15H2,1H3,(H,26,29) ZWNIZQCUDVLTAU-UHFFFAOYSA-N 404119 US10336717, Compound 416 Beta-secretase 1 Homo sapiens 16.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404119&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197683 405255427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806846 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C22H22BrN3O/c1-26-19(27)22(25-20(26)24)18-12-17(23)7-6-16(18)13-21(22)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H2,24,25) HJLLROHCPQJCME-UHFFFAOYSA-N 113278 US10336717, Compound 418::US8633212, 56::US9212153, 56 Beta-secretase 1 Homo sapiens 8.70 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197177 199994994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806847 CN1C(N)=NC2(C1=O)c1cc(ccc1OC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C28H24N4O2/c1-32-25(33)28(31-26(32)30)23-16-22(21-8-4-5-18(15-21)17-29)9-10-24(23)34-27(28)13-11-19-6-2-3-7-20(19)12-14-27/h2-10,15-16H,11-14H2,1H3,(H2,30,31) RPMOWVGUFCVRCE-UHFFFAOYSA-N 195335 US10336717, Compound 419::US9212153, 419,Ex. 356 Beta-secretase 1 Homo sapiens 135 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198357 318151015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806848 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 InChI=1S/C21H20BrN3O2/c1-25-18(26)21(24-19(25)23)16-12-15(22)6-7-17(16)27-20(21)10-8-13-4-2-3-5-14(13)9-11-20/h2-7,12H,8-11H2,1H3,(H2,23,24) WFVXQWPNKYISPR-UHFFFAOYSA-N 195340 US10336717, Compound 420::US9212153, 424,Ex. 361 Beta-secretase 1 Homo sapiens 23.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197077 318151020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806849 CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 InChI=1S/C26H28BrN3O4/c1-24(2,3)34-23(32)28-22-29-26(21(31)30(22)4)19-15-18(27)9-10-20(19)33-25(26)13-11-16-7-5-6-8-17(16)12-14-25/h5-10,15H,11-14H2,1-4H3,(H,28,29,32) RZKRDMGDAGJWHI-UHFFFAOYSA-N 404123 US10336717, Compound 421 Beta-secretase 1 Homo sapiens 14.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197810 405255428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806850 CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1 InChI=1S/C26H29N3O2/c1-29-23(30)26(28-24(29)27)21-16-18(9-8-17-6-7-17)10-11-22(21)31-25(26)14-12-19-4-2-3-5-20(19)13-15-25/h2-5,10-11,16-17H,6-9,12-15H2,1H3,(H2,27,28) RSUVVFIJINCLKH-UHFFFAOYSA-N 195338 US10336717, Compound 422::US9212153, 422,Ex. 359 Beta-secretase 1 Homo sapiens 6.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197959 318151018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806851 CN1C(N)=NC2(C1=O)c1ccccc1OC21CCc2ccccc2CC1 InChI=1S/C21H21N3O2/c1-24-18(25)21(23-19(24)22)16-8-4-5-9-17(16)26-20(21)12-10-14-6-2-3-7-15(14)11-13-20/h2-9H,10-13H2,1H3,(H2,22,23) JNZJTMDNPROKMG-UHFFFAOYSA-N 195339 US10336717, Compound 423::US9212153, 423,Ex. 360 Beta-secretase 1 Homo sapiens 186 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198309 318151019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806852 CN1C(N)=NC2(C1=O)c1cc(ccc1OC21CCc2ccccc2CC1)C#N InChI=1S/C22H20N4O2/c1-26-19(27)22(25-20(26)24)17-12-14(13-23)6-7-18(17)28-21(22)10-8-15-4-2-3-5-16(15)9-11-21/h2-7,12H,8-11H2,1H3,(H2,24,25) YCZYVQAMYGSZQX-UHFFFAOYSA-N 404126 US10336717, Compound 424 Beta-secretase 1 Homo sapiens 53.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404126&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391881 405255429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806853 CN1C(=S)NC2(C1=O)c1cc(OCC3CC3)ccc1OC21CCc2ccccc2CC1 InChI=1S/C25H26N2O3S/c1-27-22(28)25(26-23(27)31)20-14-19(29-15-16-6-7-16)8-9-21(20)30-24(25)12-10-17-4-2-3-5-18(17)11-13-24/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3,(H,26,31) RMBVNWQLTYQLPM-UHFFFAOYSA-N 404127 US10336717, Compound 425 Beta-secretase 1 Homo sapiens 4.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404127&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197681 405255430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806854 CN1C(=S)NC2(C1=O)c1cc(OCC(F)(F)F)ccc1OC21CCc2ccccc2CC1 InChI=1S/C23H21F3N2O3S/c1-28-19(29)23(27-20(28)32)17-12-16(30-13-22(24,25)26)6-7-18(17)31-21(23)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H,27,32) JYIPFERTPGKMDR-UHFFFAOYSA-N 404128 US10336717, Compound 426 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404128&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89938794 405255431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806855 CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 InChI=1S/C23H23BrN2O2S/c1-14(2)26-20(27)23(25-21(26)29)18-13-17(24)7-8-19(18)28-22(23)11-9-15-5-3-4-6-16(15)10-12-22/h3-8,13-14H,9-12H2,1-2H3,(H,25,29) RUABDGOFXYAANE-UHFFFAOYSA-N 404129 US10336717, Compound 427 Beta-secretase 1 Homo sapiens 182 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404129&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198153 405255432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806856 CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 InChI=1S/C23H24BrN3O2/c1-14(2)27-20(28)23(26-21(27)25)18-13-17(24)7-8-19(18)29-22(23)11-9-15-5-3-4-6-16(15)10-12-22/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26) ATHCKLTWBPRHJY-UHFFFAOYSA-N 195344 US10336717, Compound 428::US9212153, 427,Ex. 364 Beta-secretase 1 Homo sapiens 293 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197374 318151023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806857 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C2=O)C(C)(C)C)CC1 InChI=1S/C21H27BrN2O2S/c1-19(2,3)24-17(25)21(23-18(24)27)16-11-14(22)6-5-13(16)12-20(21)9-7-15(26-4)8-10-20/h5-6,11,15H,7-10,12H2,1-4H3,(H,23,27) DIXDZBHSEPKBHL-UHFFFAOYSA-N 404131 US10336717, Compound 429 Beta-secretase 1 Homo sapiens 1674 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404131&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198263 405255433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806858 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C3COC3)C2=O)CC1 InChI=1S/C20H23BrN2O3S/c1-25-15-4-6-19(7-5-15)9-12-2-3-13(21)8-16(12)20(19)17(24)23(18(27)22-20)14-10-26-11-14/h2-3,8,14-15H,4-7,9-11H2,1H3,(H,22,27) DWJVQGVDSDLOBA-UHFFFAOYSA-N 404132 US10336717, Compound 431 Beta-secretase 1 Homo sapiens 55.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197202 405255434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806859 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C3CCOCC3)C2=O)CC1 InChI=1S/C22H27BrN2O3S/c1-27-17-4-8-21(9-5-17)13-14-2-3-15(23)12-18(14)22(21)19(26)25(20(29)24-22)16-6-10-28-11-7-16/h2-3,12,16-17H,4-11,13H2,1H3,(H,24,29) GIDPASWLICOOCL-UHFFFAOYSA-N 195350 US10336717, Compound 432::US9212153, 432,Ex. 369 Beta-secretase 1 Homo sapiens 80.5 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196989 318151026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806860 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(N(C)C)C2=O)CC1 InChI=1S/C19H24BrN3O2S/c1-22(2)23-16(24)19(21-17(23)26)15-10-13(20)5-4-12(15)11-18(19)8-6-14(25-3)7-9-18/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,26) ZSUHNFJLTJBKRO-UHFFFAOYSA-N 195351 US10336717, Compound 433::US9212153, 433,Ex. 370 Beta-secretase 1 Homo sapiens 575 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198064 318151027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806861 COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C3CCN(C)CC3)C2=O)CC1 InChI=1S/C23H30BrN3O2S/c1-26-11-7-17(8-12-26)27-20(28)23(25-21(27)30)19-13-16(24)4-3-15(19)14-22(23)9-5-18(29-2)6-10-22/h3-4,13,17-18H,5-12,14H2,1-2H3,(H,25,30) MEFZAHPPILJZOP-UHFFFAOYSA-N 195352 US10336717, Compound 434::US9212153, 434,Ex. 371 Beta-secretase 1 Homo sapiens 533 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197845 318151028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806862 COC1CCC2(Cc3ccc(Br)cc3C22COS(=O)(=O)N2CC=C)CC1 InChI=1S/C19H24BrNO4S/c1-3-10-21-19(13-25-26(21,22)23)17-11-15(20)5-4-14(17)12-18(19)8-6-16(24-2)7-9-18/h3-5,11,16H,1,6-10,12-13H2,2H3 BZSNSQAAIYHGEU-UHFFFAOYSA-N 404136 US10336717, Compound 435 Beta-secretase 1 Homo sapiens 2336 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197872 405255435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806863 COC1CCC2(Cc3ccc(Br)cc3C22CCSC(N)=N2)CC1 InChI=1S/C18H23BrN2OS/c1-22-14-4-6-17(7-5-14)11-12-2-3-13(19)10-15(12)18(17)8-9-23-16(20)21-18/h2-3,10,14H,4-9,11H2,1H3,(H2,20,21) HRBGGHAOAFKAEC-UHFFFAOYSA-N 195354 US10336717, Compound 439::US9212153, 436,Ex. 373 Beta-secretase 1 Homo sapiens 2357 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197275 318151030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806864 COC1CCC2(Cc3ccc(Br)cc3C22CCSC(N)=N2)CC1 InChI=1S/C18H23BrN2OS/c1-22-14-4-6-17(7-5-14)11-12-2-3-13(19)10-15(12)18(17)8-9-23-16(20)21-18/h2-3,10,14H,4-9,11H2,1H3,(H2,20,21) HRBGGHAOAFKAEC-UHFFFAOYSA-N 195354 US10336717, Compound 439::US9212153, 436,Ex. 373 Beta-secretase 1 Homo sapiens 79.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197275 318151030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806865 COC1CCC2(Cc3ccc(Br)cc3C22CCSC(N)=N2)CC1 InChI=1S/C18H23BrN2OS/c1-22-14-4-6-17(7-5-14)11-12-2-3-13(19)10-15(12)18(17)8-9-23-16(20)21-18/h2-3,10,14H,4-9,11H2,1H3,(H2,20,21) HRBGGHAOAFKAEC-UHFFFAOYSA-N 195354 US10336717, Compound 439::US9212153, 436,Ex. 373 Beta-secretase 1 Homo sapiens 30000 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197275 318151030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806866 COC1CCC2(CC1)Oc1ccc(cc1C21CCSC(N)=N1)-c1cccc(c1)C#N InChI=1S/C24H25N3O2S/c1-28-19-7-9-23(10-8-19)24(11-12-30-22(26)27-24)20-14-18(5-6-21(20)29-23)17-4-2-3-16(13-17)15-25/h2-6,13-14,19H,7-12H2,1H3,(H2,26,27) GMYOOAINRVVYCV-UHFFFAOYSA-N 404140 US10336717, Compound 440 Beta-secretase 1 Homo sapiens 730 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70216241 405255436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806867 NC1=NC2(CCS1)c1cc(Br)ccc1CC21CCc2ccccc2CC1 InChI=1S/C22H23BrN2S/c23-18-6-5-17-14-21(9-7-15-3-1-2-4-16(15)8-10-21)22(19(17)13-18)11-12-26-20(24)25-22/h1-6,13H,7-12,14H2,(H2,24,25) UTTIQDXFGDATEY-UHFFFAOYSA-N 195471 US10336717, Compound 441::US9212153, 441,Ex. 378 Beta-secretase 1 Homo sapiens 19460 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371305 318151118 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806868 NC1=NC2(CCS1)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N InChI=1S/C29H27N3S/c30-19-20-4-3-7-23(16-20)24-8-9-25-18-28(12-10-21-5-1-2-6-22(21)11-13-28)29(26(25)17-24)14-15-33-27(31)32-29/h1-9,16-17H,10-15,18H2,(H2,31,32) FEVXQKYEVMLEPS-UHFFFAOYSA-N 404142 US10336717, Compound 442 Beta-secretase 1 Homo sapiens 1166 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90290371 405255437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806869 COC1CCC2(Cc3ccc(Br)cc3C22CSC(N)=N2)CC1 InChI=1S/C17H21BrN2OS/c1-21-13-4-6-16(7-5-13)9-11-2-3-12(18)8-14(11)17(16)10-22-15(19)20-17/h2-3,8,13H,4-7,9-10H2,1H3,(H2,19,20) OUCBBQBUDNNGPH-UHFFFAOYSA-N 195360 US10336717, Compound 443::US9212153, 444,Ex. 380 Beta-secretase 1 Homo sapiens 6230 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198160 318151035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806870 NC1=NC2(CS1)c1cc(Br)ccc1CC21CCC(O)CC1 InChI=1S/C16H19BrN2OS/c17-11-2-1-10-8-15(5-3-12(20)4-6-15)16(13(10)7-11)9-21-14(18)19-16/h1-2,7,12,20H,3-6,8-9H2,(H2,18,19) MYWBDJIEALSXOQ-UHFFFAOYSA-N 195532 US10336717, Compound 444::US9212153, 443,Ex. 380 Beta-secretase 1 Homo sapiens 1446 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197081 318151175 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806871 CCN1CC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC)-c1cc(F)cc(Cl)c1 InChI=1S/C25H29ClFN3O/c1-3-30-15-25(29-23(30)28)22-12-16(18-10-19(26)13-20(27)11-18)4-5-17(22)14-24(25)8-6-21(31-2)7-9-24/h4-5,10-13,21H,3,6-9,14-15H2,1-2H3,(H2,28,29) MZPVPRLMLOPESP-UHFFFAOYSA-N 404145 US10336717, Compound 445 Beta-secretase 1 Homo sapiens 340 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047198 405255438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806872 COC1CCC2(Cc3ccc(Br)cc3C22CN(CC(F)(F)F)C(N)=N2)CC1 InChI=1S/C19H23BrF3N3O/c1-27-14-4-6-17(7-5-14)9-12-2-3-13(20)8-15(12)18(17)10-26(16(24)25-18)11-19(21,22)23/h2-3,8,14H,4-7,9-11H2,1H3,(H2,24,25) KDRGBWLMLNYBLR-UHFFFAOYSA-N 195363 US10336717, Compound 446::US9212153, 446,Ex. 382 Beta-secretase 1 Homo sapiens 4327 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197620 318151037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806873 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1OC21CCN(CC1)C(C)=O InChI=1S/C17H19BrN4O3/c1-10(23)22-7-5-16(6-8-22)17(14(24)21(2)15(19)20-17)12-9-11(18)3-4-13(12)25-16/h3-4,9H,5-8H2,1-2H3,(H2,19,20) YJWUWVNZEZQIAG-UHFFFAOYSA-N 195511 US10336717, Compound 447::US9212153, 447,Ex. 383 Beta-secretase 1 Homo sapiens 13500 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197061 318151154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806874 CN1C(N)=NC2(C1=O)c1cc(ccc1OC21CCN(CC1)C(C)=O)-c1cccc(c1)C#C InChI=1S/C25H24N4O3/c1-4-17-6-5-7-18(14-17)19-8-9-21-20(15-19)25(22(31)28(3)23(26)27-25)24(32-21)10-12-29(13-11-24)16(2)30/h1,5-9,14-15H,10-13H2,2-3H3,(H2,26,27) STPFSQIBYKPOKY-UHFFFAOYSA-N 404148 US10336717, Compound 448 Beta-secretase 1 Homo sapiens 1949 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047199 405255439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806875 CN1OC2(N=C1N)c1cc(Br)ccc1OC21CCc2onc(C)c2C1 InChI=1S/C17H17BrN4O3/c1-9-11-8-16(6-5-13(11)24-21-9)17(20-15(19)22(2)25-17)12-7-10(18)3-4-14(12)23-16/h3-4,7H,5-6,8H2,1-2H3,(H2,19,20) KNXPXUHNJXUNDX-UHFFFAOYSA-N 404149 US10336717, Compound 449 Beta-secretase 1 Homo sapiens 207 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047200 405255440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806876 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cccc(c1)C#N InChI=1S/C25H23N5O2/c1-15-20-13-24(9-8-22(20)31-29-15)12-19-7-6-18(17-5-3-4-16(10-17)14-26)11-21(19)25(24)28-23(27)30(2)32-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28) YWAQHHYDNPPGGE-UHFFFAOYSA-N 195367 US10336717, Compound 450::US9212153, 450,Ex. 385 Beta-secretase 1 Homo sapiens 8.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197398 318151040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806877 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2onc(C)c2C1 InChI=1S/C18H19BrN4O2/c1-10-13-9-17(6-5-15(13)24-22-10)8-11-3-4-12(19)7-14(11)18(17)21-16(20)23(2)25-18/h3-4,7H,5-6,8-9H2,1-2H3,(H2,20,21) HSTWENXBYVYRAY-UHFFFAOYSA-N 195366 US10336717, Compound 451::US9212153, 449,Ex. 384 Beta-secretase 1 Homo sapiens 58.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197362 318151039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806878 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cncc(Cl)c1 InChI=1S/C23H22ClN5O2/c1-13-18-10-22(6-5-20(18)30-28-13)9-15-4-3-14(16-7-17(24)12-26-11-16)8-19(15)23(22)27-21(25)29(2)31-23/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,25,27) DAUAAOIXKZLQAE-UHFFFAOYSA-N 195369 US10336717, Compound 452::US9212153, 452,Ex. 387 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195369&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198275 318151042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806879 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cc(F)cc(Cl)c1 InChI=1S/C24H22ClFN4O2/c1-13-19-12-23(6-5-21(19)31-29-13)11-15-4-3-14(16-7-17(25)10-18(26)8-16)9-20(15)24(23)28-22(27)30(2)32-24/h3-4,7-10H,5-6,11-12H2,1-2H3,(H2,27,28) KCSVTCHGKQAKBO-UHFFFAOYSA-N 404153 US10336717, Compound 453 Beta-secretase 1 Homo sapiens 6.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197317 405255441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806880 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)C1CC1 InChI=1S/C24H27N3O/c1-27-22(25)26-24(28-27)21-14-19(18-6-7-18)8-9-20(21)15-23(24)12-10-16-4-2-3-5-17(16)11-13-23/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3,(H2,25,26) YTKAFLIKICTFHA-UHFFFAOYSA-N 195371 US10336717, Compound 454::US9212153, 454,Ex. 389 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195371&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197276 318151044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806881 CN1OC2(N=C1N)c1cc(ccc1CC21Cc2cnncc2C1)-c1cccc(c1)C#N InChI=1S/C24H20N6O/c1-30-22(26)29-24(31-30)21-8-17(16-4-2-3-15(7-16)12-25)5-6-18(21)9-23(24)10-19-13-27-28-14-20(19)11-23/h2-8,13-14H,9-11H2,1H3,(H2,26,29) VCUBDGIUVJKIQN-UHFFFAOYSA-N 195372 US10336717, Compound 455::US9212153, 455,Ex. 390 Beta-secretase 1 Homo sapiens 2456 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198312 318151045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806882 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cnncc2CC1)-c1cccc(c1)C#N InChI=1S/C26H24N6O/c1-32-24(28)31-26(33-32)23-12-19(18-4-2-3-17(11-18)14-27)5-6-20(23)13-25(26)9-7-21-15-29-30-16-22(21)8-10-25/h2-6,11-12,15-16H,7-10,13H2,1H3,(H2,28,31) NRTWYDAMPPWJPV-UHFFFAOYSA-N 195469 US10336717, Compound 456::US9212153, 456,Ex. 391 Beta-secretase 1 Homo sapiens 877 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197599 318151117 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806883 CN1OC2(N=C1N)c1cc(ccc1CC21CCCc2cnncc2C1)-c1cccc(c1)C#N InChI=1S/C26H24N6O/c1-32-24(28)31-26(33-32)23-11-19(18-5-2-4-17(10-18)14-27)7-8-20(23)12-25(26)9-3-6-21-15-29-30-16-22(21)13-25/h2,4-5,7-8,10-11,15-16H,3,6,9,12-13H2,1H3,(H2,28,31) FZRKMEJZXFBRKO-UHFFFAOYSA-N 404157 US10336717, Compound 457 Beta-secretase 1 Homo sapiens 1351 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197591 405255442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806884 FC(F)(F)S(=O)(=O)OC1=CCC2(Cc3ccc(cc3C2=O)-c2cccc(c2)C#N)CC1 InChI=1S/C22H16F3NO4S/c23-22(24,25)31(28,29)30-18-6-8-21(9-7-18)12-17-5-4-16(11-19(17)20(21)27)15-3-1-2-14(10-15)13-26/h1-6,10-11H,7-9,12H2 DTWZELBAVUWKJP-UHFFFAOYSA-N 404158 US10336717, Compound 458 Beta-secretase 1 Homo sapiens 3703 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198123 405255443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806885 CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C27H39N3O2/c1-18(2)30-24(31)27(29-25(30)28)23-16-20(15-19-7-5-4-6-8-19)9-10-21(23)17-26(27)13-11-22(32-3)12-14-26/h9-10,16,18-19,22H,4-8,11-15,17H2,1-3H3,(H2,28,29)/t22-,26-,27? CAUQQBFNNIDHGV-JZGZJDTKSA-N 113327 US10336717, Compound 495::US8633212, 495::US9212153, 495 Beta-secretase 1 Homo sapiens 693 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197463 199995043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806886 CN1OC2(N=C1N)c1cc(Br)ccc1C[C@@]21C[C@@H]1c1ccccc1 InChI=1S/C19H18BrN3O/c1-23-17(21)22-19(24-23)15-9-14(20)8-7-13(15)10-18(19)11-16(18)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3,(H2,21,22)/t16-,18+,19?/m1/s1 SNPUTDINPIUMCZ-FAZYOCGDSA-N 195375 US10336717, Compound 460::US9212153, 460,Ex. 394 Beta-secretase 1 Homo sapiens 9805 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197801 318151048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806887 CSC1=NC2(C(=O)N1C)c1cc(Br)ccc1CC21CCc2noc(C)c2C1 InChI=1S/C20H20BrN3O2S/c1-11-14-10-19(7-6-16(14)23-26-11)9-12-4-5-13(21)8-15(12)20(19)17(25)24(2)18(22-20)27-3/h4-5,8H,6-7,9-10H2,1-3H3 FUVQKZHJASHLDJ-UHFFFAOYSA-N 404161 US10336717, Compound 461 Beta-secretase 1 Homo sapiens 16.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198217 405255444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806888 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccc(c1)C#N InChI=1S/C26H23N5O2/c1-15-20-13-25(9-8-22(20)30-33-15)12-19-7-6-18(17-5-3-4-16(10-17)14-27)11-21(19)26(25)23(32)31(2)24(28)29-26/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,28,29) KETJJWVTEIRQBP-UHFFFAOYSA-N 195378 US10336717, Compound 462::US9212153, 462,Ex. 396::US9212153, 465,Ex. 399 Beta-secretase 1 Homo sapiens 1.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195378&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197278 318151050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806889 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cc(F)cc(Cl)c1 InChI=1S/C25H22ClFN4O2/c1-13-19-12-24(6-5-21(19)30-33-13)11-15-4-3-14(16-7-17(26)10-18(27)8-16)9-20(15)25(24)22(32)31(2)23(28)29-25/h3-4,7-10H,5-6,11-12H2,1-2H3,(H2,28,29) DNOOGMCBXHNTTH-UHFFFAOYSA-N 195379 US10336717, Compound 463::US9212153, 463,Ex. 397 Beta-secretase 1 Homo sapiens 1.10 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195379&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197931 318151051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806890 CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2noc(C)c2C1 InChI=1S/C19H19BrN4O2/c1-10-13-9-18(6-5-15(13)23-26-10)8-11-3-4-12(20)7-14(11)19(18)16(25)24(2)17(21)22-19/h3-4,7H,5-6,8-9H2,1-2H3,(H2,21,22) NNUFAJAZXXDMCS-UHFFFAOYSA-N 195377 US10336717, Compound 464::US9212153, 461,Ex. 395 Beta-secretase 1 Homo sapiens 7.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58196973 318151049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806891 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccc(Cl)c1 InChI=1S/C25H23ClN4O2/c1-14-19-13-24(9-8-21(19)29-32-14)12-17-7-6-16(15-4-3-5-18(26)10-15)11-20(17)25(24)22(31)30(2)23(27)28-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28) GLRDCLJMIBECEN-UHFFFAOYSA-N 404165 US10336717, Compound 465 Beta-secretase 1 Homo sapiens 1.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197025 405255445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806892 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cncc(Cl)c1 InChI=1S/C24H22ClN5O2/c1-13-18-10-23(6-5-20(18)29-32-13)9-15-4-3-14(16-7-17(25)12-27-11-16)8-19(15)24(23)21(31)30(2)22(26)28-24/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,26,28) RLRBLMNRTNMYGV-UHFFFAOYSA-N 195382 US10336717, Compound 466::US9212153, 466,Ex. 400 Beta-secretase 1 Homo sapiens 13.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197541 318151053 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806893 CSC1=NC2(C(=O)N1C)c1cc(ccc1CC21CCc2noc(C)c2C1)C#CC1CC1 InChI=1S/C25H25N3O2S/c1-15-19-14-24(11-10-21(19)27-30-15)13-18-9-8-17(7-6-16-4-5-16)12-20(18)25(24)22(29)28(2)23(26-25)31-3/h8-9,12,16H,4-5,10-11,13-14H2,1-3H3 NDVUHVJMZOGXEN-UHFFFAOYSA-N 404167 US10336717, Compound 467 Beta-secretase 1 Homo sapiens 2.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197724 405255446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806894 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2noc(C)c2C1 InChI=1S/C18H19BrN4O2/c1-10-13-9-17(6-5-15(13)22-24-10)8-11-3-4-12(19)7-14(11)18(17)21-16(20)23(2)25-18/h3-4,7H,5-6,8-9H2,1-2H3,(H2,20,21) NONDATZVIXXJBM-UHFFFAOYSA-N 195370 US10336717, Compound 468::US9212153, 453,Ex. 388 Beta-secretase 1 Homo sapiens 16.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195370&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197082 318151043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806895 CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2c(C1)c(C)nn2C InChI=1S/C19H22BrN5O/c1-11-14-10-18(7-6-16(14)24(2)23-11)9-12-4-5-13(20)8-15(12)19(18)22-17(21)25(3)26-19/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,22) MEBFBGRYWYRHBD-UHFFFAOYSA-N 195385 US10336717, Compound 469::US9212153, 469,Ex. 403 Beta-secretase 1 Homo sapiens 1520 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197500 318151056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806896 CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)c(C)nn2C)-c1cc(F)cc(Cl)c1 InChI=1S/C25H25ClFN5O/c1-14-20-13-24(7-6-22(20)31(2)30-14)12-16-5-4-15(17-8-18(26)11-19(27)9-17)10-21(16)25(24)29-23(28)32(3)33-25/h4-5,8-11H,6-7,12-13H2,1-3H3,(H2,28,29) FCZVBDJQRVNDRJ-UHFFFAOYSA-N 195386 US10336717, Compound 470::US9212153, 470,Ex. 404 Beta-secretase 1 Homo sapiens 67.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195386&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197508 318151057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806897 CN1C(N)=NC2(C1=O)c1cc(ccc1CC21Cc2cnncc2C1)-c1cccc(c1)C#N InChI=1S/C25H20N6O/c1-31-22(32)25(30-23(31)27)21-8-17(16-4-2-3-15(7-16)12-26)5-6-18(21)9-24(25)10-19-13-28-29-14-20(19)11-24/h2-8,13-14H,9-11H2,1H3,(H2,27,30) WZOJNUIGFJBGMK-UHFFFAOYSA-N 195388 US10336717, Compound 471::US9212153, 471,Ex. 405 Beta-secretase 1 Homo sapiens 870 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195388&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68371312 318151058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806898 CN1C(N)=NC2(CC3(CC=CC3)c3ccc(Br)cc23)C1=O InChI=1S/C16H16BrN3O/c1-20-13(21)16(19-14(20)18)9-15(6-2-3-7-15)11-5-4-10(17)8-12(11)16/h2-5,8H,6-7,9H2,1H3,(H2,18,19) WZHKAIKHSNXWLE-UHFFFAOYSA-N 404172 US10336717, Compound 472 Beta-secretase 1 Homo sapiens 13500 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70220421 405255447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806899 COC1CCC2(Cc3ccc(cc3C22N=C(NC(C)=O)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C25H29N3O3/c1-16(29)26-23-27-25(22(30)28(23)2)21-14-18(7-6-17-4-5-17)8-9-19(21)15-24(25)12-10-20(31-3)11-13-24/h8-9,14,17,20H,4-5,10-13,15H2,1-3H3,(H,26,27,29) LJKLWLCNANKZDV-UHFFFAOYSA-N 195390 US10336717, Compound 474::US9212153, 474,Ex. 407 Beta-secretase 1 Homo sapiens 26.6 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70221349 318151060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806900 COC1CCC2(Cc3ccc(O)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C17H23N3O3/c1-20-15(18)19-17(23-20)14-9-12(21)4-3-11(14)10-16(17)7-5-13(22-2)6-8-16/h3-4,9,13,21H,5-8,10H2,1-2H3,(H2,18,19) IZKXHQPDZDWEDD-UHFFFAOYSA-N 195507 US10336717, Compound 475::US9212153, 475,Ex. 76 Beta-secretase 1 Homo sapiens 5158 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198204 318151150 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806901 COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C2=CC(O)CC2)CC1 InChI=1S/C23H29N3O3/c1-26-20(28)23(25-21(26)24)19-12-15(14-5-6-17(27)11-14)3-4-16(19)13-22(23)9-7-18(29-2)8-10-22/h3-4,11-12,17-18,27H,5-10,13H2,1-2H3,(H2,24,25) RTVDLYZFLHMNIS-UHFFFAOYSA-N 195391 US10336717, Compound 476::US9212153, 476,Ex. 408 Beta-secretase 1 Homo sapiens 33.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197445 318151061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806902 COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m0/s1 USHFPDQMSUANTM-CKRJSAQMSA-N 195533 US10336717, Compound 477::US9212153, 477,Ex. 409 Beta-secretase 1 Homo sapiens 694 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197218 318151176 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806903 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1 InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m1/s1 USHFPDQMSUANTM-UWFXLKAESA-N 195392 US10336717, Compound 478::US9212153, 478,Ex. 409 Beta-secretase 1 Homo sapiens 2.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197916 318151062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806904 COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1 InChI=1S/C24H25Cl2N3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28)/t19?,23?,24-/m0/s1 RBGRXZBWCKNUHT-TVNWEXPRSA-N 195534 US10336717, Compound 479::US9212153, 479,Ex. 424 Beta-secretase 1 Homo sapiens 604 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198258 318151177 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806905 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1 InChI=1S/C24H25Cl2N3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28)/t19?,23?,24-/m1/s1 RBGRXZBWCKNUHT-PBSMCPNCSA-N 195409 US10336717, Compound 480::US9212153, 480,Ex. 424 Beta-secretase 1 Homo sapiens 4.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198344 318151074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806906 CCC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#N InChI=1S/C22H28N4O2/c1-4-14(2)26-19(27)22(25-20(26)24)18-11-15(13-23)5-6-16(18)12-21(22)9-7-17(28-3)8-10-21/h5-6,11,14,17H,4,7-10,12H2,1-3H3,(H2,24,25)/t14?,17-,21-,22? VAMOVLHTXJXUHJ-UEMDKQHOSA-N 113316 US10336717, Compound 481::US8633212, 481::US9212153, 481 Beta-secretase 1 Homo sapiens 274 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197701 199995032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806907 CCCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#N InChI=1S/C22H28N4O2/c1-3-4-11-26-19(27)22(25-20(26)24)18-12-15(14-23)5-6-16(18)13-21(22)9-7-17(28-2)8-10-21/h5-6,12,17H,3-4,7-11,13H2,1-2H3,(H2,24,25) BRLBZXBEDCQHRA-UHFFFAOYSA-N 113317 US10336717, Compound 482::US8633212, 482::US9212153, 482 Beta-secretase 1 Homo sapiens 42.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197737 199995033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806908 COCCOc1ccc2CC3(CCC(CC3)OC)[C@]3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H29N3O4/c1-24-18(25)21(23-19(24)22)17-12-16(28-11-10-26-2)5-4-14(17)13-20(21)8-6-15(27-3)7-9-20/h4-5,12,15H,6-11,13H2,1-3H3,(H2,22,23)/t15?,20?,21-/m0/s1 UCEOPZXOQYVLFV-UJWQOHNOSA-N 195400 US10336717, Compound 483::US9212153, 483,Ex. 417 Beta-secretase 1 Homo sapiens 960 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197874 318151067 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806909 COCCOc1ccc2CC3(CCC(CC3)OC)[C@@]3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H29N3O4/c1-24-18(25)21(23-19(24)22)17-12-16(28-11-10-26-2)5-4-14(17)13-20(21)8-6-15(27-3)7-9-20/h4-5,12,15H,6-11,13H2,1-3H3,(H2,22,23)/t15?,20?,21-/m1/s1 UCEOPZXOQYVLFV-KUTOWUBSSA-N 195535 US10336717, Compound 484::US9212153, 484,Ex. 417 Beta-secretase 1 Homo sapiens 7.20 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197373 318151178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806910 CCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#N InChI=1S/C21H26N4O2/c1-3-10-25-18(26)21(24-19(25)23)17-11-14(13-22)4-5-15(17)12-20(21)8-6-16(27-2)7-9-20/h4-5,11,16H,3,6-10,12H2,1-2H3,(H2,23,24) QZVHXQNBSJTKPS-UHFFFAOYSA-N 113318 US10336717, Compound 485::US8633212, 485::US9212153, 485 Beta-secretase 1 Homo sapiens 99.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198059 199995034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806911 COCCOc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C23H33N3O4/c1-15(2)26-20(27)23(25-21(26)24)19-13-18(30-12-11-28-3)6-5-16(19)14-22(23)9-7-17(29-4)8-10-22/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,25) RIFDAWAZZQDCGV-UHFFFAOYSA-N 113319 US10336717, Compound 486::US8633212, 486::US9212153, 486 Beta-secretase 1 Homo sapiens 87.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197286 199995035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806912 COC1CCC2(Cc3ccc(cc3C22NC(=O)N(C(C)C)C2=O)B2OC(C)(C)C(C)(C)O2)CC1 InChI=1S/C26H37BN2O5/c1-16(2)29-21(30)26(28-22(29)31)20-14-18(27-33-23(3,4)24(5,6)34-27)9-8-17(20)15-25(26)12-10-19(32-7)11-13-25/h8-9,14,16,19H,10-13,15H2,1-7H3,(H,28,31) BDEYPDZGFTUYTP-UHFFFAOYSA-N 404186 US10336717, Compound 487 Beta-secretase 1 Homo sapiens 21.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197013 405255448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806913 CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C24H35N3O2/c1-27-22(25)26-24(29-27)21-15-18(14-17-6-4-3-5-7-17)8-9-19(21)16-23(24)12-10-20(28-2)11-13-23/h8-9,15,17,20H,3-7,10-14,16H2,1-2H3,(H2,25,26)/t20-,23-,24? OFDSKRLJGFJJEK-MOOVDDBPSA-N 113320 US10336717, Compound 488::US8633212, 488::US9212153, 488 Beta-secretase 1 Homo sapiens 76.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197121 199995036 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806914 CCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C20H29N3O2/c1-4-5-14-6-7-15-13-19(10-8-16(24-3)9-11-19)20(17(15)12-14)22-18(21)23(2)25-20/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H2,21,22)/t16-,19-,20? SWXYTRLEAZYONB-QHARRCRTSA-N 113321 US10336717, Compound 489::US8633212, 489::US9212153, 489 Beta-secretase 1 Homo sapiens 92.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197877 199995037 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806915 CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)C)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C21H31N3O2/c1-14(2)11-15-5-6-16-13-20(9-7-17(25-4)8-10-20)21(18(16)12-15)23-19(22)24(3)26-21/h5-6,12,14,17H,7-11,13H2,1-4H3,(H2,22,23)/t17-,20-,21? KYOBUNYVSJPTDD-MYPZOXIJSA-N 113322 US10336717, Compound 490::US8633212, 490::US9212153, 490 Beta-secretase 1 Homo sapiens 72.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197630 199995038 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806916 CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C24H35N3O2/c1-15(2)12-17-6-7-18-14-23(10-8-19(29-5)9-11-23)24(20(18)13-17)21(28)27(16(3)4)22(25)26-24/h6-7,13,15-16,19H,8-12,14H2,1-5H3,(H2,25,26)/t19-,23-,24? FREIMAFZEMXYEL-AHLJTMJASA-N 113323 US10336717, Compound 491::US8633212, 491::US9212153, 491 Beta-secretase 1 Homo sapiens 78.2 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197120 199995039 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806917 CO[C@H]1CC[C@@]2(Cc3ccc(CCc4ccccc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C25H31N3O2/c1-28-23(26)27-25(30-28)22-16-19(9-8-18-6-4-3-5-7-18)10-11-20(22)17-24(25)14-12-21(29-2)13-15-24/h3-7,10-11,16,21H,8-9,12-15,17H2,1-2H3,(H2,26,27)/t21-,24-,25? DFRNTCQKLKHICI-TYRCWPPYSA-N 113324 US10336717, Compound 492::US8633212, 492::US9212153, 492 Beta-secretase 1 Homo sapiens 403 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198009 199995040 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806918 CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C22H33N3O2/c1-4-5-6-7-16-8-9-17-15-21(12-10-18(26-3)11-13-21)22(19(17)14-16)24-20(23)25(2)27-22/h8-9,14,18H,4-7,10-13,15H2,1-3H3,(H2,23,24)/t18-,21-,22? AHAWCXWSOMVMFE-NGZATLCBSA-N 113325 US10336717, Compound 493::US8633212, 493::US9212153, 493 Beta-secretase 1 Homo sapiens 29.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197456 199995041 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806919 CCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C23H33N3O2/c1-5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(15(2)3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23? GLQQRGMZVMEOLU-VYNBAUGJSA-N 113326 US10336717, Compound 494::US8633212, 494::US9212153, 494 Beta-secretase 1 Homo sapiens 54.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197065 199995042 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806920 CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C27H39N3O2/c1-18(2)30-24(31)27(29-25(30)28)23-16-20(15-19-7-5-4-6-8-19)9-10-21(23)17-26(27)13-11-22(32-3)12-14-26/h9-10,16,18-19,22H,4-8,11-15,17H2,1-3H3,(H2,28,29)/t22-,26-,27? CAUQQBFNNIDHGV-JZGZJDTKSA-N 113327 US10336717, Compound 495::US8633212, 495::US9212153, 495 Beta-secretase 1 Homo sapiens 44.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197463 199995043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806921 CO[C@H]1CC[C@@]2(Cc3ccc(CCc4ccccc4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C28H35N3O2/c1-19(2)31-25(32)28(30-26(31)29)24-17-21(10-9-20-7-5-4-6-8-20)11-12-22(24)18-27(28)15-13-23(33-3)14-16-27/h4-8,11-12,17,19,23H,9-10,13-16,18H2,1-3H3,(H2,29,30)/t23-,27-,28? ARUGRUXCLJYOIX-BUTBCHPHSA-N 113328 US10336717, Compound 496::US8633212, 496::US9212153, 496 Beta-secretase 1 Homo sapiens 188 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197075 199995044 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806922 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C(C)C)CC1 InChI=1S/C20H29N3O2/c1-13(2)14-5-6-15-12-19(9-7-16(24-4)8-10-19)20(17(15)11-14)22-18(21)23(3)25-20/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,21,22)/t16-,19-,20? HCSAKWDRASHDCF-QHARRCRTSA-N 113329 US10336717, Compound 497::US8633212, 497::US9212153, 497 Beta-secretase 1 Homo sapiens 144 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197022 199995045 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806923 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H37N3O2/c1-16(2)6-7-18-8-9-19-15-24(12-10-20(30-5)11-13-24)25(21(19)14-18)22(29)28(17(3)4)23(26)27-25/h8-9,14,16-17,20H,6-7,10-13,15H2,1-5H3,(H2,26,27)/t20-,24-,25? MHLVJXQIYBRATN-QXONTCKQSA-N 113330 US10336717, Compound 498::US8633212, 498::US9212153, 498 Beta-secretase 1 Homo sapiens 27.1 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197045 199995046 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806924 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C(C)C)CC1 InChI=1S/C23H33N3O2/c1-14(2)16-6-7-17-13-22(10-8-18(28-5)9-11-22)23(19(17)12-16)20(27)26(15(3)4)21(24)25-23/h6-7,12,14-15,18H,8-11,13H2,1-5H3,(H2,24,25)/t18-,22-,23? BXYJYKGDGBCKBE-VYNBAUGJSA-N 113331 US10336717, Compound 499::US8633212, 499::US9212153, 499 Beta-secretase 1 Homo sapiens 149 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197041 199995047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806925 CCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C22H31N3O2/c1-5-15-6-7-16-13-21(10-8-17(27-4)9-11-21)22(18(16)12-15)19(26)25(14(2)3)20(23)24-22/h6-7,12,14,17H,5,8-11,13H2,1-4H3,(H2,23,24)/t17-,21-,22? UGKOQTFUFLBOMB-JOECNLHFSA-N 113332 US10336717, Compound 500::US8633212, 500::US9212153, 500 Beta-secretase 1 Homo sapiens 199 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197782 199995048 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806926 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C22H33N3O2/c1-15(2)5-6-16-7-8-17-14-21(11-9-18(26-4)10-12-21)22(19(17)13-16)24-20(23)25(3)27-22/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,23,24)/t18-,21-,22? NKVLGUSRQMKUPI-NGZATLCBSA-N 195456 US10336717, Compound 501::US9212153, 501 Beta-secretase 1 Homo sapiens 15.8 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197798 318151107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806927 CCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C19H27N3O2/c1-4-13-5-6-14-12-18(9-7-15(23-3)8-10-18)19(16(14)11-13)21-17(20)22(2)24-19/h5-6,11,15H,4,7-10,12H2,1-3H3,(H2,20,21)/t15-,18-,19? UEGQCHSXFSMDKJ-DUWYVTJWSA-N 113334 US10336717, Compound 502::US8633212, 502::US9212153, 502 Beta-secretase 1 Homo sapiens 521 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197896 199995050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905960 NC(=O)C(Sc1nc(-c2cccc(c2)C(F)(F)F)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1 InChI=1S/C23H14F3N5O2S2/c24-23(25,26)14-8-4-7-13(9-14)17-15(10-27)20(33)31-22(30-17)35-18(19(28)32)21-29-16(11-34-21)12-5-2-1-3-6-12/h1-9,11,18H,(H2,28,32)(H,30,31,33) CNHGBJBJMTXFDT-UHFFFAOYSA-N 50270756 CHEMBL4128807 Beta-secretase 1 Homo sapiens 19100 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955169 405255600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905961 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)[nH]c(=O)c1C#N InChI=1S/C23H16BrN5O3S2/c1-32-16-7-3-5-14(9-16)20-17(10-25)21(31)29-23(28-20)34-12-19(30)27-22-26-18(11-33-22)13-4-2-6-15(24)8-13/h2-9,11H,12H2,1H3,(H,26,27,30)(H,28,29,31) MLLMZZCJKVTZGE-UHFFFAOYSA-N 50270757 CHEMBL4126598 Beta-secretase 1 Homo sapiens 17500 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962333 405255601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905962 CCOc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N InChI=1S/C24H18Cl2N6O3S2/c1-2-35-14-5-3-4-12(6-14)21-15(9-27)22(34)32-24(31-21)37-11-19(33)30-23-29-18(10-36-23)13-7-16(25)20(28)17(26)8-13/h3-8,10H,2,11,28H2,1H3,(H,29,30,33)(H,31,32,34) RIMCGTVMTSKNSJ-UHFFFAOYSA-N 50270758 CHEMBL4127486 Beta-secretase 1 Homo sapiens 13500 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962371 405255602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905964 Nc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)CSc2nc(-c3cccc(c3)C(F)(F)F)c(C#N)c(=O)[nH]2)n1 InChI=1S/C23H13Cl2F3N6O2S2/c24-14-5-11(6-15(25)18(14)30)16-8-37-21(31-16)32-17(35)9-38-22-33-19(13(7-29)20(36)34-22)10-2-1-3-12(4-10)23(26,27)28/h1-6,8H,9,30H2,(H,31,32,35)(H,33,34,36) XYEUYJBZFFRPIN-UHFFFAOYSA-N 50270759 CHEMBL4127412 Beta-secretase 1 Homo sapiens 13400 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963013 405255603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905966 NC(=O)C(Sc1nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1 InChI=1S/C23H14F3N5O3S2/c24-23(25,26)34-14-8-4-7-13(9-14)17-15(10-27)20(33)31-22(30-17)36-18(19(28)32)21-29-16(11-35-21)12-5-2-1-3-6-12/h1-9,11,18H,(H2,28,32)(H,30,31,33) RSEMEVAKLMUFHR-UHFFFAOYSA-N 50270760 CHEMBL4127550 Beta-secretase 1 Homo sapiens 29600 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961278 405255604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905968 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)-c2cccnc2F)[nH]c(=O)c1C#N InChI=1S/C28H19FN6O3S2/c1-38-18-8-3-7-17(12-18)22-20(13-30)26(37)35-28(34-22)40-23(25(31)36)27-33-21(14-39-27)16-6-2-5-15(11-16)19-9-4-10-32-24(19)29/h2-12,14,23H,1H3,(H2,31,36)(H,34,35,37) SEURRLSXVNULSW-UHFFFAOYSA-N 50270761 CHEMBL4129873 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962254 405255605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905970 CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C24H18N6O5S2/c1-2-35-16-5-3-4-14(10-16)19-17(11-25)22(32)29-24(28-19)37-20(21(26)31)23-27-18(12-36-23)13-6-8-15(9-7-13)30(33)34/h3-10,12,20H,2H2,1H3,(H2,26,31)(H,28,29,32) NVNIUTYVWHJVQJ-UHFFFAOYSA-N 50270762 CHEMBL4128727 Beta-secretase 1 Homo sapiens 1230 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963255 405255606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905972 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N InChI=1S/C23H16Cl2N6O3S2/c1-34-13-4-2-3-11(5-13)20-14(8-26)21(33)31-23(30-20)36-10-18(32)29-22-28-17(9-35-22)12-6-15(24)19(27)16(25)7-12/h2-7,9H,10,27H2,1H3,(H,28,29,32)(H,30,31,33) YHNGFDKAUKAQMK-UHFFFAOYSA-N 50270763 CHEMBL4128586 Beta-secretase 1 Homo sapiens 861 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961985 405255607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905974 NC(=O)C(Sc1nc(-c2cccc(c2)C(F)(F)F)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1 InChI=1S/C23H14F3N5O2S2/c24-23(25,26)14-8-4-7-13(9-14)17-15(10-27)20(33)31-22(30-17)35-18(19(28)32)21-29-16(11-34-21)12-5-2-1-3-6-12/h1-9,11,18H,(H2,28,32)(H,30,31,33) CNHGBJBJMTXFDT-UHFFFAOYSA-N 50270756 CHEMBL4128807 Beta-secretase 1 Homo sapiens 1030 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955169 405255600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905976 COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-17-8-3-2-7-14(17)18-15(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-16(11-35-22)12-5-4-6-13(9-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) IAPXUEFUMWXOGE-UHFFFAOYSA-N 50270764 CHEMBL4127986 Beta-secretase 1 Homo sapiens 38600 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960897 405255608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905978 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-15-7-3-5-13(9-15)18-16(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-17(11-35-22)12-4-2-6-14(8-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) TYVOJIBSOUPZJX-UHFFFAOYSA-N 50270765 CHEMBL4127289 Beta-secretase 1 Homo sapiens 24300 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961719 405255609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905980 CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C24H18N6O5S2/c1-2-35-16-5-3-4-14(10-16)19-17(11-25)22(32)29-24(28-19)37-20(21(26)31)23-27-18(12-36-23)13-6-8-15(9-7-13)30(33)34/h3-10,12,20H,2H2,1H3,(H2,26,31)(H,28,29,32) NVNIUTYVWHJVQJ-UHFFFAOYSA-N 50270762 CHEMBL4128727 Beta-secretase 1 Homo sapiens 15000 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963255 405255606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905982 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N InChI=1S/C23H16Cl2N6O3S2/c1-34-13-4-2-3-11(5-13)20-14(8-26)21(33)31-23(30-20)36-10-18(32)29-22-28-17(9-35-22)12-6-15(24)19(27)16(25)7-12/h2-7,9H,10,27H2,1H3,(H,28,29,32)(H,30,31,33) YHNGFDKAUKAQMK-UHFFFAOYSA-N 50270763 CHEMBL4128586 Beta-secretase 1 Homo sapiens 7700 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961985 405255607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905984 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C23H18N6O3S/c1-32-15-9-5-8-14(10-15)18-16(11-24)22(31)29-23(28-18)33-19(20(25)30)21-26-12-17(27-21)13-6-3-2-4-7-13/h2-10,12,19H,1H3,(H2,25,30)(H,26,27)(H,28,29,31) NXJIMQSWXIKUCS-UHFFFAOYSA-N 50270766 CHEMBL4127672 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962377 405255610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905986 CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C24H20N6O3S/c1-2-33-16-10-6-9-15(11-16)19-17(12-25)23(32)30-24(29-19)34-20(21(26)31)22-27-13-18(28-22)14-7-4-3-5-8-14/h3-11,13,20H,2H2,1H3,(H2,26,31)(H,27,28)(H,29,30,32) CUMQBYMMIVMGLK-UHFFFAOYSA-N 50270767 CHEMBL4127062 Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963607 405255611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905988 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c[nH]2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N InChI=1S/C23H17Cl2N7O3S/c1-35-13-4-2-3-11(5-13)20-14(8-26)21(34)32-23(31-20)36-10-18(33)30-22-28-9-17(29-22)12-6-15(24)19(27)16(25)7-12/h2-7,9H,10,27H2,1H3,(H,31,32,34)(H2,28,29,30,33) WHILOTGURJHMPD-UHFFFAOYSA-N 50270768 CHEMBL4128447 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960692 405255612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905990 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C23H17N5O3S2/c1-31-15-9-5-8-14(10-15)18-16(11-24)21(30)28-23(27-18)33-19(20(25)29)22-26-17(12-32-22)13-6-3-2-4-7-13/h2-10,12,19H,1H3,(H2,25,29)(H,27,28,30) XTJARMHLYHDUJP-UHFFFAOYSA-N 50270769 CHEMBL4128947 Beta-secretase 1 Homo sapiens 2140 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961341 405255613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905992 Nc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)CSc2nc(-c3cccc(c3)C(F)(F)F)c(C#N)c(=O)[nH]2)n1 InChI=1S/C23H13Cl2F3N6O2S2/c24-14-5-11(6-15(25)18(14)30)16-8-37-21(31-16)32-17(35)9-38-22-33-19(13(7-29)20(36)34-22)10-2-1-3-12(4-10)23(26,27)28/h1-6,8H,9,30H2,(H,31,32,35)(H,33,34,36) XYEUYJBZFFRPIN-UHFFFAOYSA-N 50270759 CHEMBL4127412 Beta-secretase 1 Homo sapiens 1330 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963013 405255603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905994 NC(=O)C(Sc1nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1 InChI=1S/C23H14F3N5O3S2/c24-23(25,26)34-14-8-4-7-13(9-14)17-15(10-27)20(33)31-22(30-17)36-18(19(28)32)21-29-16(11-35-21)12-5-2-1-3-6-12/h1-9,11,18H,(H2,28,32)(H,30,31,33) RSEMEVAKLMUFHR-UHFFFAOYSA-N 50270760 CHEMBL4127550 Beta-secretase 1 Homo sapiens 1880 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961278 405255604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905996 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)[nH]c(=O)c1C#N InChI=1S/C23H16BrN5O3S2/c1-32-16-7-3-5-14(9-16)20-17(10-25)21(31)29-23(28-20)34-12-19(30)27-22-26-18(11-33-22)13-4-2-6-15(24)8-13/h2-9,11H,12H2,1H3,(H,26,27,30)(H,28,29,31) MLLMZZCJKVTZGE-UHFFFAOYSA-N 50270757 CHEMBL4126598 Beta-secretase 1 Homo sapiens 1740 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962333 405255601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50905998 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C23H18N6O3S/c1-32-15-9-5-8-14(10-15)18-16(11-24)22(31)29-23(28-18)33-19(20(25)30)21-26-12-17(27-21)13-6-3-2-4-7-13/h2-10,12,19H,1H3,(H2,25,30)(H,26,27)(H,28,29,31) NXJIMQSWXIKUCS-UHFFFAOYSA-N 50270766 CHEMBL4127672 Beta-secretase 1 Homo sapiens 554 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962377 405255610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906000 CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C24H20N6O3S/c1-2-33-16-10-6-9-15(11-16)19-17(12-25)23(32)30-24(29-19)34-20(21(26)31)22-27-13-18(28-22)14-7-4-3-5-8-14/h3-11,13,20H,2H2,1H3,(H2,26,31)(H,27,28)(H,29,30,32) CUMQBYMMIVMGLK-UHFFFAOYSA-N 50270767 CHEMBL4127062 Beta-secretase 1 Homo sapiens 213 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963607 405255611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906002 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c[nH]2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N InChI=1S/C23H17Cl2N7O3S/c1-35-13-4-2-3-11(5-13)20-14(8-26)21(34)32-23(31-20)36-10-18(33)30-22-28-9-17(29-22)12-6-15(24)19(27)16(25)7-12/h2-7,9H,10,27H2,1H3,(H,31,32,34)(H2,28,29,30,33) WHILOTGURJHMPD-UHFFFAOYSA-N 50270768 CHEMBL4128447 Beta-secretase 1 Homo sapiens 169 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960692 405255612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906004 COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-17-8-3-2-7-14(17)18-15(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-16(11-35-22)12-5-4-6-13(9-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) IAPXUEFUMWXOGE-UHFFFAOYSA-N 50270764 CHEMBL4127986 Beta-secretase 1 Homo sapiens 1430 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960897 405255608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906006 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-15-4-2-3-13(9-15)18-16(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-17(11-35-22)12-5-7-14(8-6-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) AXKUMVZYDHUJPW-UHFFFAOYSA-N 50270770 CHEMBL4126751 Beta-secretase 1 Homo sapiens 1840 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961471 405255614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906008 COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-17-5-3-2-4-14(17)18-15(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-16(11-35-22)12-6-8-13(9-7-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) GEXDJUQAYSQHIB-UHFFFAOYSA-N 50270771 CHEMBL4130015 Beta-secretase 1 Homo sapiens 27600 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960980 405255615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906010 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-15-4-2-3-13(9-15)18-16(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-17(11-35-22)12-5-7-14(8-6-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) AXKUMVZYDHUJPW-UHFFFAOYSA-N 50270770 CHEMBL4126751 Beta-secretase 1 Homo sapiens 26100 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961471 405255614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906021 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N InChI=1S/C23H16N6O5S2/c1-34-15-7-3-5-13(9-15)18-16(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-17(11-35-22)12-4-2-6-14(8-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) TYVOJIBSOUPZJX-UHFFFAOYSA-N 50270765 CHEMBL4127289 Beta-secretase 1 Homo sapiens 1750 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961719 405255609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906022 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N InChI=1S/C23H17N5O3S2/c1-31-15-9-5-8-14(10-15)18-16(11-24)21(30)28-23(27-18)33-19(20(25)29)22-26-17(12-32-22)13-6-3-2-4-7-13/h2-10,12,19H,1H3,(H2,25,29)(H,27,28,30) XTJARMHLYHDUJP-UHFFFAOYSA-N 50270769 CHEMBL4128947 Beta-secretase 1 Homo sapiens 37400 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961341 405255613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50906023 COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)-c2cccnc2F)[nH]c(=O)c1C#N InChI=1S/C28H19FN6O3S2/c1-38-18-8-3-7-17(12-18)22-20(13-30)26(37)35-28(34-22)40-23(25(31)36)27-33-21(14-39-27)16-6-2-5-15(11-16)19-9-4-10-32-24(19)29/h2-12,14,23H,1H3,(H2,31,36)(H,34,35,37) SEURRLSXVNULSW-UHFFFAOYSA-N 50270761 CHEMBL4129873 Beta-secretase 1 Homo sapiens 1440 ChEMBL 10.1016/j.ejmech.2017.06.020 10.7270/Q2M90C53 28624701 Yan, G; Hao, L; Niu, Y; Huang, W; Wang, W; Xu, F; Liang, L; Wang, C; Jin, H; Xu, P Peking University Health Science Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962254 405255605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806928 CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C25H37N3O2/c1-5-6-7-8-18-9-10-19-16-24(13-11-20(30-4)12-14-24)25(21(19)15-18)22(29)28(17(2)3)23(26)27-25/h9-10,15,17,20H,5-8,11-14,16H2,1-4H3,(H2,26,27)/t20-,24-,25? YLEMXAHYOAGFNS-QXONTCKQSA-N 113335 US10336717, Compound 503::US8633212, 503::US9212153, 503 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197597 199995051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806929 CO[C@H]1CC[C@@]2(Cc3ccc(OCc4ccc(OC)cc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C25H31N3O4/c1-28-23(26)27-25(32-28)22-14-21(31-16-17-4-7-19(29-2)8-5-17)9-6-18(22)15-24(25)12-10-20(30-3)11-13-24/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,26,27)/t20-,24-,25? TYMFIWMJHWGYMN-QXONTCKQSA-N 195457 US10336717, Compound 504::US9212153, 504 Beta-secretase 1 Homo sapiens 807 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197474 318151108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806930 CO[C@H]1CC[C@@]2(Cc3ccc(OC(C)C)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C20H29N3O3/c1-13(2)25-16-6-5-14-12-19(9-7-15(24-4)8-10-19)20(17(14)11-16)22-18(21)23(3)26-20/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,21,22)/t15-,19-,20? IEYWHHBYAYMNOD-GCUVUNJKSA-N 195458 US10336717, Compound 505::US9212153, 505 Beta-secretase 1 Homo sapiens 171 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197612 318151109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806931 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H35N3O3/c1-16(2)28-22(29)25(27-23(28)26)21-13-20(31-15-17-5-4-6-17)8-7-18(21)14-24(25)11-9-19(30-3)10-12-24/h7-8,13,16-17,19H,4-6,9-12,14-15H2,1-3H3,(H2,26,27)/t19-,24-,25? QDCFAECEEQJIMP-SSEMJGATSA-N 113338 US10336717, Compound 506::US8633212, 506::US9212153, 506 Beta-secretase 1 Homo sapiens 34.3 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197086 199995054 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806932 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C2CCCC2)CC1 InChI=1S/C25H35N3O2/c1-16(2)28-22(29)25(27-23(28)26)21-14-18(17-6-4-5-7-17)8-9-19(21)15-24(25)12-10-20(30-3)11-13-24/h8-9,14,16-17,20H,4-7,10-13,15H2,1-3H3,(H2,26,27)/t20-,24-,25? UROGHDPZGITNBK-QXONTCKQSA-N 113339 US10336717, Compound 507::US8633212, 507::US9212153, 507 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197189 199995055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806933 CCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 InChI=1S/C24H35N3O2/c1-5-6-7-17-8-9-18-15-23(12-10-19(29-4)11-13-23)24(20(18)14-17)21(28)27(16(2)3)22(25)26-24/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H2,25,26)/t19-,23-,24? ZDKSPSGBAWGNAS-AHLJTMJASA-N 113340 US10336717, Compound 508::US8633212, 508::US9212153, 508 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197300 199995056 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806934 CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C25H37N3O2/c1-16(2)28-21(29)25(27-22(28)26)20-13-17(14-23(3,4)5)7-8-18(20)15-24(25)11-9-19(30-6)10-12-24/h7-8,13,16,19H,9-12,14-15H2,1-6H3,(H2,26,27)/t19-,24-,25? AUUGFAOCTKCMDR-SSEMJGATSA-N 113341 US10336717, Compound 509::US8633212, 509::US9212153, 509 Beta-secretase 1 Homo sapiens 267 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197267 199995057 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806935 COc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(C)C)C3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C27H33N3O3/c1-17(2)33-21-10-12-26(13-11-21)16-20-9-8-19(18-6-5-7-22(14-18)32-4)15-23(20)27(26)24(31)30(3)25(28)29-27/h5-9,14-15,17,21H,10-13,16H2,1-4H3,(H2,28,29)/t21-,26-,27? IQRVEIZRPVZDNO-MJPADRBUSA-N 113342 US10336717, Compound 510::US8633212, 510::US9212153, 510 Beta-secretase 1 Homo sapiens 61.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197105 199995058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806936 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C24H33F2N3O2/c1-15(2)4-5-16-6-7-17-13-23(10-8-18(31-3)9-11-23)24(19(17)12-16)21(30)29(14-20(25)26)22(27)28-24/h6-7,12,15,18,20H,4-5,8-11,13-14H2,1-3H3,(H2,27,28)/t18-,23-,24? AQPOMRPIMCWGED-SCRAKJMHSA-N 113343 US10336717, Compound 511::US8633212, 511::US9212153, 511 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197631 199995059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806937 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C24H32F3N3O2/c1-15(2)4-5-16-6-7-17-13-22(10-8-18(32-3)9-11-22)24(19(17)12-16)20(31)30(21(28)29-24)14-23(25,26)27/h6-7,12,15,18H,4-5,8-11,13-14H2,1-3H3,(H2,28,29)/t18-,22-,24? ASRQRVJKDUDBQT-ZCAYIEKSSA-N 113344 US10336717, Compound 512::US8633212, 512::US9212153, 512 Beta-secretase 1 Homo sapiens 77.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197571 199995060 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806938 COCCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C25H37N3O3/c1-17(2)5-6-18-7-8-19-16-24(11-9-20(31-4)10-12-24)25(21(19)15-18)22(29)28(13-14-30-3)23(26)27-25/h7-8,15,17,20H,5-6,9-14,16H2,1-4H3,(H2,26,27)/t20-,24-,25? KHEVEQJKEGRYGK-QXONTCKQSA-N 113345 US10336717, Compound 513::US8633212, 513::US9212153, 513 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197744 199995061 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806939 CCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C24H35N3O2/c1-5-27-21(28)24(26-22(27)25)20-14-17(7-6-16(2)3)8-9-18(20)15-23(24)12-10-19(29-4)11-13-23/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H2,25,26)/t19-,23-,24? BRTNIWGKZCEXSN-AHLJTMJASA-N 113346 US10336717, Compound 514::US8633212, 514::US9212153, 514 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197789 199995062 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806940 CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23? RYMHRRJVTCOMJD-VYNBAUGJSA-N 113333 US10336717, Compound 515::US8633212, 501::US8633212, 515::US9212153, 515 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197178 199995049 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806941 CO[C@H]1CC[C@@]2(Cc3ccc(OCc4ccccc4)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C24H29N3O3/c1-27-22(25)26-24(30-27)21-14-20(29-16-17-6-4-3-5-7-17)9-8-18(21)15-23(24)12-10-19(28-2)11-13-23/h3-9,14,19H,10-13,15-16H2,1-2H3,(H2,25,26)/t19-,23-,24? CIPLWUBAYCECKC-AHLJTMJASA-N 113348 US10336717, Compound 516::US8633212, 516 Beta-secretase 1 Homo sapiens 890 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197332 199995064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806942 COc1cccc(c1)-c1ccc2C[C@]3(CC[C@@](C)(O)CC3)C3(ON(C)C(N)=N3)c2c1 InChI=1S/C24H29N3O3/c1-22(28)9-11-23(12-10-22)15-18-8-7-17(16-5-4-6-19(13-16)29-3)14-20(18)24(23)26-21(25)27(2)30-24/h4-8,13-14,28H,9-12,15H2,1-3H3,(H2,25,26)/t22-,23-,24? OFJOAKRTCYRUHH-IHJHTLIFSA-N 113349 US10336717, Compound 517::US8633212, 517::US9212153, 517 Beta-secretase 1 Homo sapiens 877 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198127 199995065 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806943 CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCC(F)(F)F)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C19H23F4N3O3/c1-26-16(24)25-19(29-26)13-8-15(28-10-18(21,22)23)14(20)7-11(13)9-17(19)5-3-12(27-2)4-6-17/h7-8,12H,3-6,9-10H2,1-2H3,(H2,24,25)/t12-,17-,19? NXEAKTXISQETQH-OYWNEJBCSA-N 113350 US10336717, Compound 518::US8633212, 518::US9212153, 518 Beta-secretase 1 Homo sapiens 53.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197080 199995066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806944 COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 InChI=1S/C22H26N4O2S/c1-13-24-12-18(29-13)14-4-5-15-11-21(8-6-16(28-3)7-9-21)22(17(15)10-14)19(27)26(2)20(23)25-22/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,23,25)/t16?,21?,22-/m0/s1 RAMQFWJJXZGADF-PZPSAWLHSA-N 404218 US10336717, Compound 521a Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118592464 405255449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806945 COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 InChI=1S/C22H26N4O2S/c1-13-24-12-18(29-13)14-4-5-15-11-21(8-6-16(28-3)7-9-21)22(17(15)10-14)19(27)26(2)20(23)25-22/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,23,25)/t16?,21?,22-/m1/s1 RAMQFWJJXZGADF-UVOAEELBSA-N 404219 US10336717, Compound 521b Beta-secretase 1 Homo sapiens 691 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118592465 405255450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806946 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 InChI=1S/C23H25F2N3O2/c1-28-19(29)23(27-21(28)26)18-12-15(5-4-14-2-3-14)6-7-16(18)13-22(23)10-8-17(9-11-22)30-20(24)25/h6-7,12,14,17,20H,2-3,8-11,13H2,1H3,(H2,26,27)/t17-,22-,23-/m1/s1 ALRNPPMJSNVXIC-NLSFWIRASA-N 195403 US10336717, Compound 522::US9212153, 523,Ex. 420 Beta-secretase 1 Homo sapiens 294 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197401 318151070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806947 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 InChI=1S/C23H25F2N3O2/c1-28-19(29)23(27-21(28)26)18-12-15(5-4-14-2-3-14)6-7-16(18)13-22(23)10-8-17(9-11-22)30-20(24)25/h6-7,12,14,17,20H,2-3,8-11,13H2,1H3,(H2,26,27)/t17-,22-,23-/m0/s1 ALRNPPMJSNVXIC-RTFZILSDSA-N 195536 US10336717, Compound 523::US9212153, 522,Ex. 420 Beta-secretase 1 Homo sapiens 2.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197499 318151179 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806948 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(O)=O)C2=O)C#CC2CC2)CC1 InChI=1S/C24H27N3O4/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)27(14-20(28)29)22(25)26-24/h6-7,12,15,18H,2-3,8-11,13-14H2,1H3,(H2,25,26)(H,28,29)/t18-,23-,24? HZNUBARSODQFCB-SCRAKJMHSA-N 113352 US10336717, Compound 524::US8633212, 524::US9212153, 524 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197632 199995068 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806949 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(CCF)C2=O)CC1 InChI=1S/C23H30FN3O3/c1-29-17-6-8-22(9-7-17)13-16-4-5-18(30-14-15-2-3-15)12-19(16)23(22)20(28)27(11-10-24)21(25)26-23/h4-5,12,15,17H,2-3,6-11,13-14H2,1H3,(H2,25,26) LAVIBXJHXATOCB-UHFFFAOYSA-N 404223 US10336717, Compound 525 Beta-secretase 1 Homo sapiens 6.80 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197390 405255451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806950 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C23H29F2N3O3/c1-30-16-6-8-22(9-7-16)11-15-4-5-17(31-13-14-2-3-14)10-18(15)23(22)20(29)28(12-19(24)25)21(26)27-23/h4-5,10,14,16,19H,2-3,6-9,11-13H2,1H3,(H2,26,27) VEVOPFIRHVTQJG-UHFFFAOYSA-N 404224 US10336717, Compound 526 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198348 405255452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806951 COC1CCC2(Cc3ccc(CCC(F)(F)F)cc3C22N=C(N)N(CCF)C2=O)CC1 InChI=1S/C22H27F4N3O2/c1-31-16-5-7-20(8-6-16)13-15-3-2-14(4-9-21(24,25)26)12-17(15)22(20)18(30)29(11-10-23)19(27)28-22/h2-3,12,16H,4-11,13H2,1H3,(H2,27,28) IQECXVKSDIZGDO-UHFFFAOYSA-N 404225 US10336717, Compound 527 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88216272 405255453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806952 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(CCC(F)(F)F)C2=O)CC1 InChI=1S/C24H30F3N3O3/c1-32-17-6-8-22(9-7-17)13-16-4-5-18(33-14-15-2-3-15)12-19(16)24(22)20(31)30(21(28)29-24)11-10-23(25,26)27/h4-5,12,15,17H,2-3,6-11,13-14H2,1H3,(H2,28,29) ATHUNRDQXICGDW-UHFFFAOYSA-N 404226 US10336717, Compound 528 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197854 405255454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806953 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCF)C2=O)-c2ncco2)CC1 InChI=1S/C22H25FN4O3/c1-29-16-4-6-21(7-5-16)13-15-3-2-14(18-25-9-11-30-18)12-17(15)22(21)19(28)27(10-8-23)20(24)26-22/h2-3,9,11-12,16H,4-8,10,13H2,1H3,(H2,24,26)/t16-,21-,22? PCRZSVZJXIZFIL-SOVYMCNHSA-N 113353 US10336717, Compound 529::US8633212, 529::US9212153, 529 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197331 199995069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806954 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCF)C2=O)-c2nccs2)CC1 InChI=1S/C22H25FN4O2S/c1-29-16-4-6-21(7-5-16)13-15-3-2-14(18-25-9-11-30-18)12-17(15)22(21)19(28)27(10-8-23)20(24)26-22/h2-3,9,11-12,16H,4-8,10,13H2,1H3,(H2,24,26)/t16-,21-,22? JARPBKUMPZZCMV-SOVYMCNHSA-N 113354 US10336717, Compound 530::US8633212, 530::US9212153, 530 Beta-secretase 1 Homo sapiens 115 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197971 199995070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806955 CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(C(C)C)C2=O)CC1 InChI=1S/C20H26ClN3O2/c1-12(2)24-17(25)20(23-18(24)22)16-10-14(21)5-4-13(16)11-19(20)8-6-15(26-3)7-9-19/h4-5,10,12,15H,6-9,11H2,1-3H3,(H2,22,23)/t15-,19-,20? WDPCNQFTFOPBBS-GCUVUNJKSA-N 113355 US10336717, Compound 531::US8633212, 531::US9212153, 531 Beta-secretase 1 Homo sapiens 169 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197222 199995071 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806956 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(F)(F)F)C2=O)-c2ncc(C)s2)CC1 InChI=1S/C23H25F3N4O2S/c1-13-11-28-18(33-13)14-3-4-15-10-21(7-5-16(32-2)6-8-21)23(17(15)9-14)19(31)30(20(27)29-23)12-22(24,25)26/h3-4,9,11,16H,5-8,10,12H2,1-2H3,(H2,27,29)/t16-,21-,23? OUJTWSTUVLKMJE-IPMGMPQXSA-N 113356 US10336717, Compound 532::US8633212, 532::US9212153, 532 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197193 199995072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806957 CCCSc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(CCOC)C3=O)c2c1 InChI=1S/C23H33N3O3S/c1-4-13-30-18-6-5-16-15-22(9-7-17(29-3)8-10-22)23(19(16)14-18)20(27)26(11-12-28-2)21(24)25-23/h5-6,14,17H,4,7-13,15H2,1-3H3,(H2,24,25) YAMDBYLOOGOYGR-UHFFFAOYSA-N 195397 US10336717, Compound 533::US9212153, 533,Ex. 414 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198040 318151064 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806958 COCCN1C(N)=NC2(C1=O)c1cc(OC(F)F)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C21H27F2N3O4/c1-28-10-9-26-17(27)21(25-19(26)24)16-11-15(30-18(22)23)4-3-13(16)12-20(21)7-5-14(29-2)6-8-20/h3-4,11,14,18H,5-10,12H2,1-2H3,(H2,24,25)/t14-,20-,21? HNYRTHJZRURRDN-QWJVFFQSSA-N 113357 US10336717, Compound 534::US8633212, 534::US9212153, 534 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197773 199995073 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806959 COC1CCC2(Cc3ccc(Sc4ccccc4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N3O2S/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26) VPTAIUQGXZBBNN-UHFFFAOYSA-N 404233 US10336717, Compound 535 Beta-secretase 1 Homo sapiens 40.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198188 405255455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806960 COCCN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C1CC1 InChI=1S/C23H31N3O3/c1-28-12-11-26-20(27)23(25-21(26)24)19-13-16(15-3-4-15)5-6-17(19)14-22(23)9-7-18(29-2)8-10-22/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3,(H2,24,25)/t18-,22-,23? RXHPIRHKFAXUJM-VYNBAUGJSA-N 113358 US10336717, Compound 536::US8633212, 536 Beta-secretase 1 Homo sapiens 172 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197208 199995074 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806961 COCCN1C(N)=NC2(C1=O)c1cc(Cl)ccc1C[C@@]21CC[C@@H](CC1)OC InChI=1S/C20H26ClN3O3/c1-26-10-9-24-17(25)20(23-18(24)22)16-11-14(21)4-3-13(16)12-19(20)7-5-15(27-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,22,23)/t15-,19-,20? CFTNYXVUJWVMSN-GCUVUNJKSA-N 113359 US10336717, Compound 537::US8633212, 537::US9212153, 537 Beta-secretase 1 Homo sapiens 88.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927251 199995075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806962 COCCO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C20H26ClN3O3/c1-24-17(25)20(23-18(24)22)16-11-14(21)4-3-13(16)12-19(20)7-5-15(6-8-19)27-10-9-26-2/h3-4,11,15H,5-10,12H2,1-2H3,(H2,22,23)/t15-,19-,20? CTSKFXOISVNIHW-GCUVUNJKSA-N 113360 US10336717, Compound 538::US8633212, 538::US9212153, 538 Beta-secretase 1 Homo sapiens 614 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198130 199995076 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806963 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(C)(C)SC(N)=N2)CC1 InChI=1S/C20H27BrN2OS/c1-18(2)12-20(23-17(22)25-18)16-10-14(21)5-4-13(16)11-19(20)8-6-15(24-3)7-9-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H2,22,23)/t15-,19-,20? HEAYOYFPQWLFLJ-GCUVUNJKSA-N 113361 US10336717, Compound 539::US8633212, 539::US9212153, 539 Beta-secretase 1 Homo sapiens 2440 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113361&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197128 199995077 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806964 CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 InChI=1S/C19H22ClF2N3O2/c1-27-13-4-6-18(7-5-13)9-11-2-3-12(20)8-14(11)19(18)16(26)25(10-15(21)22)17(23)24-19/h2-3,8,13,15H,4-7,9-10H2,1H3,(H2,23,24)/t13-,18-,19? VWSDIIXNMAXQPM-QCIMMEKQSA-N 113362 US10336717, Compound 540::US8633212, 540::US9212153, 540 Beta-secretase 1 Homo sapiens 138 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113362&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927252 199995078 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806965 CCCSc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1 InChI=1S/C21H29N3O2S/c1-4-11-27-16-6-5-14-13-20(9-7-15(26-3)8-10-20)21(17(14)12-16)18(25)24(2)19(22)23-21/h5-6,12,15H,4,7-11,13H2,1-3H3,(H2,22,23) PBFKRCAGTXZDSJ-UHFFFAOYSA-N 404239 US10336717, Compound 541 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197169 405255456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806966 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(N)=O)C2=O)C#CC2CC2)CC1 InChI=1S/C24H28N4O3/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)28(14-20(25)29)22(26)27-24/h6-7,12,15,18H,2-3,8-11,13-14H2,1H3,(H2,25,29)(H2,26,27)/t18-,23-,24? JDDZMDIVSDUIPI-SCRAKJMHSA-N 113363 US10336717, Compound 542::US8633212, 542::US9212153, 542 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197651 199995079 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806967 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C27H33N3O4/c1-17(2)34-23(31)16-30-24(32)27(29-25(30)28)22-14-19(7-6-18-4-5-18)8-9-20(22)15-26(27)12-10-21(33-3)11-13-26/h8-9,14,17-18,21H,4-5,10-13,15-16H2,1-3H3,(H2,28,29)/t21-,26-,27? IQOVRUKEVDUCMP-MJPADRBUSA-N 113364 US10336717, Compound 543::US8633212, 543::US9212153, 543 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198336 199995080 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806968 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 InChI=1S/C28H35N3O4/c1-18(2)35-24(32)12-15-31-25(33)28(30-26(31)29)23-16-20(7-6-19-4-5-19)8-9-21(23)17-27(28)13-10-22(34-3)11-14-27/h8-9,16,18-19,22H,4-5,10-15,17H2,1-3H3,(H2,29,30)/t22-,27-,28? AKXWFJBTAJOEAX-BZMINTDKSA-N 113365 US10336717, Compound 544::US8633212, 544::US9212153, 544 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927253 199995081 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806969 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3nnc(C)s3)C2=O)C#CC2CC2)CC1 InChI=1S/C26H29N5O2S/c1-16-29-30-22(34-16)15-31-23(32)26(28-24(31)27)21-13-18(6-5-17-3-4-17)7-8-19(21)14-25(26)11-9-20(33-2)10-12-25/h7-8,13,17,20H,3-4,9-12,14-15H2,1-2H3,(H2,27,28)/t20-,25-,26? KHYZSAFYTBPNGL-QPYJLFMVSA-N 113366 US10336717, Compound 545::US8633212, 545::US9212153, 545 Beta-secretase 1 Homo sapiens 9.40 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113366&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197106 199995082 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806970 CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22ON(C)C(N)=N2)CC1 InChI=1S/C17H22ClN3O2/c1-21-15(19)20-17(23-21)14-9-12(18)4-3-11(14)10-16(17)7-5-13(22-2)6-8-16/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20)/t13-,16-,17? LCIULEWMQPEFHT-OKHZSEBCSA-N 113367 US10336717, Compound 546::US8633212, 546::US9212153, 546 Beta-secretase 1 Homo sapiens 212 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113367&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197788 199995083 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806971 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#N)CC1 InChI=1S/C18H22N4O2/c1-22-16(20)21-18(24-22)15-9-12(11-19)3-4-13(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21)/t14-,17-,18? AOZVUBOFLFKDDG-KSVBBAIVSA-N 113368 US10336717, Compound 547::US8633212, 547::US9212153, 547 Beta-secretase 1 Homo sapiens 157 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197521 199995084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806972 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cnc(C)nc2)CC1 InChI=1S/C25H31N5O2/c1-15(2)30-22(31)25(29-23(30)26)21-11-17(19-13-27-16(3)28-14-19)5-6-18(21)12-24(25)9-7-20(32-4)8-10-24/h5-6,11,13-15,20H,7-10,12H2,1-4H3,(H2,26,29)/t20-,24-,25? NMLXZDVITXVSBZ-QXONTCKQSA-N 195462 US10336717, Compound 548::US9212153, 548 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90287682 318151112 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806973 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)N2CCCC2=O)CC1 InChI=1S/C22H28N4O3/c1-25-19(28)22(24-20(25)23)17-12-15(26-11-3-4-18(26)27)6-5-14(17)13-21(22)9-7-16(29-2)8-10-21/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H2,23,24)/t16-,21-,22? BMZHJFBVHCBBQH-SOVYMCNHSA-N 113370 US10336717, Compound 549::US8633212, 549::US9212153, 549 Beta-secretase 1 Homo sapiens 110 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113370&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197195 199995086 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806974 COCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)(F)F)C3=O)c2c1 InChI=1S/C22H28F3N3O4/c1-30-9-10-32-16-4-3-14-12-20(7-5-15(31-2)6-8-20)22(17(14)11-16)18(29)28(19(26)27-22)13-21(23,24)25/h3-4,11,15H,5-10,12-13H2,1-2H3,(H2,26,27)/t15-,20-,22? NYJHTZZQRBZUEK-BSMCJQIRSA-N 195463 US10336717, Compound 550::US9212153, 550 Beta-secretase 1 Homo sapiens 77.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90287683 318151113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806975 COC1CCC2(Cc3ccc(NC(=O)c4ccccn4)cc3C22N=C(N)N(C)C2=O)CC1 InChI=1S/C24H27N5O3/c1-29-21(31)24(28-22(29)25)18-13-16(27-20(30)19-5-3-4-12-26-19)7-6-15(18)14-23(24)10-8-17(32-2)9-11-23/h3-7,12-13,17H,8-11,14H2,1-2H3,(H2,25,28)(H,27,30) ZSEGGVBNRXVKBI-UHFFFAOYSA-N 195410 US10336717, Compound 551::US9212153, 551,Ex. 426 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68391913 318151075 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806976 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CCF)C2=O)CC1 InChI=1S/C21H25F4N3O3/c1-30-14-4-6-19(7-5-14)11-13-2-3-15(31-12-20(23,24)25)10-16(13)21(19)17(29)28(9-8-22)18(26)27-21/h2-3,10,14H,4-9,11-12H2,1H3,(H2,26,27)/t14-,19-,21? GCNZQNXCFKMJOJ-WUFFQQIKSA-N 113372 US10336717, Compound 552::US8633212, 552::US9212153, 552 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113372&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197824 199995088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806977 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C21H23F6N3O3/c1-32-13-4-6-18(7-5-13)9-12-2-3-14(33-11-20(25,26)27)8-15(12)21(18)16(31)30(17(28)29-21)10-19(22,23)24/h2-3,8,13H,4-7,9-11H2,1H3,(H2,28,29)/t13-,18-,21? ICHCYPDHIPYINQ-DBUWMYATSA-N 113373 US10336717, Compound 553::US8633212, 553::US9212153, 553 Beta-secretase 1 Homo sapiens 34.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113373&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197609 199995089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806978 COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)N2CCC(F)(F)C2)CC1 InChI=1S/C22H27F2N3O2S/c1-26-18(28)22(25-19(26)30)17-11-15(27-10-9-21(23,24)13-27)4-3-14(17)12-20(22)7-5-16(29-2)6-8-20/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,25,30) MRZMJCRPOZJSAN-UHFFFAOYSA-N 404252 US10336717, Compound 554 Beta-secretase 1 Homo sapiens 30.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198274 405255457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806979 CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1O[C@@]21CC[C@@H](CC1)OC(F)F InChI=1S/C22H27F2N3O3/c1-27-18(28)22(26-20(27)25)16-12-14(5-4-13-2-3-13)6-7-17(16)30-21(22)10-8-15(9-11-21)29-19(23)24/h6-7,12-13,15,19H,2-5,8-11H2,1H3,(H2,25,26)/t15-,21+,22? XQRXLODONPIHDE-XPYIILQESA-N 113374 US10336717, Compound 555::US8633212, 555 Beta-secretase 1 Homo sapiens 149 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113374&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197544 199995090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806980 CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)-c1cccc(c1)C#N InChI=1S/C24H22F2N4O3/c1-30-20(31)24(29-22(30)28)18-12-16(15-4-2-3-14(11-15)13-27)5-6-19(18)33-23(24)9-7-17(8-10-23)32-21(25)26/h2-6,11-12,17,21H,7-10H2,1H3,(H2,28,29)/t17-,23+,24? HFSZJHSWIFCWEW-XUIKDURRSA-N 113375 US10336717, Compound 556::US8633212, 556 Beta-secretase 1 Homo sapiens 177 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198063 199995091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806981 CN1C(=O)NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC(F)F)B1OC(C)(C)C(C)(C)O1 InChI=1S/C24H31BF2N2O5/c1-21(2)22(3,4)34-25(33-21)15-7-6-14-13-23(10-8-16(9-11-23)32-19(26)27)24(17(14)12-15)18(30)29(5)20(31)28-24/h6-7,12,16,19H,8-11,13H2,1-5H3,(H,28,31) IJDOWJMVKDHEIX-UHFFFAOYSA-N 404255 US10336717, Compound 557 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198174 405255458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806982 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccnnc3)C2=O)C#CC2CC2)CC1 InChI=1S/C27H29N5O2/c1-34-22-8-11-26(12-9-22)15-21-7-6-19(5-4-18-2-3-18)14-23(21)27(26)24(33)32(25(28)31-27)17-20-10-13-29-30-16-20/h6-7,10,13-14,16,18,22H,2-3,8-9,11-12,15,17H2,1H3,(H2,28,31)/t22-,26-,27? NOCCLQWZTLJGMJ-JZGZJDTKSA-N 113376 US10336717, Compound 558::US8633212, 558::US9212153, 558 Beta-secretase 1 Homo sapiens 4080 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113376&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197761 199995092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806983 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C23H28F3N3O3/c1-31-16-6-8-21(9-7-16)11-15-4-5-17(32-12-14-2-3-14)10-18(15)23(21)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,2-3,6-9,11-13H2,1H3,(H2,27,28)/t16-,21-,23-/m1/s1 FOWNFEGNIVNADT-FQQGMQMYSA-N 195537 US10336717, Compound 560::US9212153, 559,Ex. 419 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197038 318151180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806984 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C23H28F3N3O3/c1-31-16-6-8-21(9-7-16)11-15-4-5-17(32-12-14-2-3-14)10-18(15)23(21)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,2-3,6-9,11-13H2,1H3,(H2,27,28)/t16-,21-,23-/m1/s1 FOWNFEGNIVNADT-FQQGMQMYSA-N 195537 US10336717, Compound 560::US9212153, 559,Ex. 419 Beta-secretase 1 Homo sapiens 3106 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=195537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=195537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197038 318151180 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806985 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C23H30F3N3O3/c1-14(2)12-32-17-5-4-15-11-21(8-6-16(31-3)7-9-21)23(18(15)10-17)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,6-9,11-13H2,1-3H3,(H2,27,28)/t16-,21-,23? VQCGWSYBCXNFMN-IPMGMPQXSA-N 113377 US10336717, Compound 561::US8633212, 561::US9212153, 561 Beta-secretase 1 Homo sapiens 11.7 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113377&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46927255 199995093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806986 CN1C(N)=N[C@]2(C1=O)c1ccccc1C[C@]21CCc2ccccc2CC1 InChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m0/s1 NBARGRGEIIPREU-QFIPXVFZSA-N 404260 US10336717, Compound 562 Beta-secretase 1 Homo sapiens 8052 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197419 405255459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806987 CN1C(N)=N[C@@]2(C1=O)c1ccccc1C[C@]21CCc2ccccc2CC1 InChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m1/s1 NBARGRGEIIPREU-JOCHJYFZSA-N 404261 US10336717, Compound 563 Beta-secretase 1 Homo sapiens 169 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=404261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=404261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58198214 405255460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806988 CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#N InChI=1S/C23H22N4O/c1-27-20(28)23(26-21(27)25)19-12-15(14-24)6-7-18(19)13-22(23)10-8-16-4-2-3-5-17(16)9-11-22/h2-7,12H,8-11,13H2,1H3,(H2,25,26)/t23-/m1/s1 MPOLZICVBPURGF-HSZRJFAPSA-N 113380 US10336717, Compound 564::US8633212, 564::US9212153, 564 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113380&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197909 199995096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806989 CN1C(N)=N[C@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#N InChI=1S/C23H22N4O/c1-27-20(28)23(26-21(27)25)19-12-15(14-24)6-7-18(19)13-22(23)10-8-16-4-2-3-5-17(16)9-11-22/h2-7,12H,8-11,13H2,1H3,(H2,25,26)/t23-/m0/s1 MPOLZICVBPURGF-QHCPKHFHSA-N 113381 US10336717, Compound 565::US8633212, 565::US9212153, 565 Beta-secretase 1 Homo sapiens 1452 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113381&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197754 199995097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806990 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 InChI=1S/C24H30F3N3O3/c1-32-17-7-9-22(10-8-17)12-16-5-6-18(33-13-15-3-2-4-15)11-19(16)24(22)20(31)30(21(28)29-24)14-23(25,26)27/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H2,28,29)/t17-,22-,24? POVPGAURIIGANI-PHNUFVJKSA-N 113382 US10336717, Compound 566::US8633212, 566::US9212153, 566 Beta-secretase 1 Homo sapiens 134 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113382&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197664 199995098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806991 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cc(cs2)C#N)CC1 InChI=1S/C25H28N4O2S/c1-15(2)29-22(30)25(28-23(29)27)20-11-17(21-10-16(13-26)14-32-21)4-5-18(20)12-24(25)8-6-19(31-3)7-9-24/h4-5,10-11,14-15,19H,6-9,12H2,1-3H3,(H2,27,28)/t19-,24-,25? DWCVWSFFWKCMJN-SSEMJGATSA-N 113383 US10336717, Compound 567::US8633212, 567::US9212153, 567 Beta-secretase 1 Homo sapiens 250 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113383&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197838 199995099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 806992 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2ccc(s2)C#N)CC1 InChI=1S/C25H28N4O2S/c1-15(2)29-22(30)25(28-23(29)27)20-12-16(21-7-6-19(14-26)32-21)4-5-17(20)13-24(25)10-8-18(31-3)9-11-24/h4-7,12,15,18H,8-11,13H2,1-3H3,(H2,27,28)/t18-,24-,25? NBKWLLVOPXTMDY-YLEAEUJISA-N 113384 US10336717, Compound 568::US8633212, 568::US9212153, 568 Beta-secretase 1 Homo sapiens 547 US Patent 10.7270/Q2WH2NCD aid1799468 US10336717 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Vitae Pharmaceuticals, LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=113384&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58197228 199995100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804458 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H19F2N5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1 HXAHDCZFPUFUOS-VQIMIIECSA-N 402345 US10329291, Example 1 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201936 405262335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804460 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F InChI=1S/C20H22F2N6O4S/c1-28-19(23)27-20(6-2-3-16(20)33(28,30)31)13-9-12(4-5-14(13)22)26-18(29)15-10-25-17(11-24-15)32-8-7-21/h4-5,9-11,16H,2-3,6-8H2,1H3,(H2,23,27)(H,26,29)/t16-,20-/m1/s1 TUDUEFUAQZKIDM-OXQOHEQNSA-N 402346 US10329291, Example 2 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202066 405262336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804462 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H20F3N5O4S/c1-28-19(24)27-20(8-2-3-16(20)33(28,30)31)13-9-11(4-6-14(13)21)26-17(29)15-7-5-12(10-25-15)32-18(22)23/h4-7,9-10,16,18H,2-3,8H2,1H3,(H2,24,27)(H,26,29)/t16-,20-/m1/s1 KUEMKDZBSBUMIV-OXQOHEQNSA-N 50271166 CHEMBL4130055 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202050 405255743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804464 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1 SFRFSUMBDAYLDH-VQIMIIECSA-N 50271172 CHEMBL4127711 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202062 405255749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804466 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19FN6O3S/c1-27-19(23)26-20(8-2-3-17(20)31(27,29)30)14-9-13(5-6-15(14)21)25-18(28)16-7-4-12(10-22)11-24-16/h4-7,9,11,17H,2-3,8H2,1H3,(H2,23,26)(H,25,28)/t17-,20-/m1/s1 YIYHJEBMLKIUPV-YLJYHZDGSA-N 50271173 CHEMBL4129113 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202069 405255750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804468 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F InChI=1S/C19H21FN6O3S/c1-11-9-23-15(10-22-11)17(27)24-12-5-6-14(20)13(8-12)19-7-3-4-16(19)30(28,29)26(2)18(21)25-19/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t16-,19-/m1/s1 TZNJQQFHTFHSBF-VQIMIIECSA-N 50271174 CHEMBL4126480 Beta-secretase 1 Homo sapiens 126 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201653 405255751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804470 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F InChI=1S/C20H22FN5O3S/c1-12-5-8-16(23-11-12)18(27)24-13-6-7-15(21)14(10-13)20-9-3-4-17(20)30(28,29)26(2)19(22)25-20/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1 PEGNNDOQUVAZJH-YLJYHZDGSA-N 50271167 CHEMBL4127870 Beta-secretase 1 Homo sapiens 42.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201655 405255744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804472 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1 GYVDXWKQHSKJCJ-DNVCBOLYSA-N 50271163 CHEMBL4129654 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201660 405255740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804474 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C19H18F3N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1 NWDPGGJFZUSNSI-DNVCBOLYSA-N 50271175 CHEMBL4126365 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202063 405255752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804476 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(F)cc2C)ccc1F InChI=1S/C20H21F2N5O3S/c1-11-8-12(21)10-24-17(11)18(28)25-13-5-6-15(22)14(9-13)20-7-3-4-16(20)31(29,30)27(2)19(23)26-20/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20-/m1/s1 WJPNPTZJGPWLCP-OXQOHEQNSA-N 50271168 CHEMBL4127283 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202057 405255745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804478 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(C)c1 InChI=1S/C21H24FN5O4S/c1-12-9-14(31-3)11-24-18(12)19(28)25-13-6-7-16(22)15(10-13)21-8-4-5-17(21)32(29,30)27(2)20(23)26-21/h6-7,9-11,17H,4-5,8H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21-/m1/s1 GISBTRXXRSHQRN-DYESRHJHSA-N 402420 US10329291, Example 11 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202111 405262410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804480 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(C)n1 InChI=1S/C20H23FN6O4S/c1-11-17(23-10-16(24-11)31-3)18(28)25-12-6-7-14(21)13(9-12)20-8-4-5-15(20)32(29,30)27(2)19(22)26-20/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,22,26)(H,25,28)/t15-,20-/m1/s1 YDAUYASJAKMRQF-FOIQADDNSA-N 50271171 CHEMBL4125904 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202106 405255748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804482 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-18(12)19(29)26-14-5-6-16(22)15(9-14)21-7-3-4-17(21)32(30,31)28(2)20(24)27-21/h5-6,8-9,11,17H,3-4,7H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21-/m1/s1 VDXQVJAEEQGQLD-DYESRHJHSA-N 402422 US10329291, Example 13 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202104 405262412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804484 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H18F4N6O3S/c1-29-17(24)28-18(6-2-3-15(18)33(29,31)32)11-7-10(4-5-12(11)20)27-16(30)13-8-26-14(9-25-13)19(21,22)23/h4-5,7-9,15H,2-3,6H2,1H3,(H2,24,28)(H,27,30)/t15-,18-/m1/s1 DSRWMANKTMPXKG-CRAIPNDOSA-N 402423 US10329291, Example 14 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202107 405262413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804486 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C20H22FN5O4S/c1-26-19(22)25-20(9-3-4-17(20)31(26,28)29)14-10-12(5-7-15(14)21)24-18(27)16-8-6-13(30-2)11-23-16/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1 YDWKWRWGRZUAPK-YLJYHZDGSA-N 402424 US10329291, Example 15 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402424&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202321 405262414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804488 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C20H20F4N6O4S/c1-30-18(25)29-19(6-2-3-15(19)35(30,32)33)12-7-11(4-5-13(12)21)28-17(31)14-8-27-16(9-26-14)34-10-20(22,23)24/h4-5,7-9,15H,2-3,6,10H2,1H3,(H2,25,29)(H,28,31)/t15-,19-/m1/s1 YIDXBFWAHSQOLK-DNVCBOLYSA-N 402425 US10329291, Example 16 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402425&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202347 405262415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804490 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C19H21FN6O4S/c1-26-18(21)25-19(7-3-4-15(19)31(26,28)29)12-8-11(5-6-13(12)20)24-17(27)14-9-23-16(30-2)10-22-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t15-,19-/m1/s1 RZWPKMTXBIDSAY-DNVCBOLYSA-N 402426 US10329291, Example 17 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402426&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202324 405262416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804492 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F InChI=1S/C22H22FN5O4S/c1-3-11-32-15-7-9-18(25-13-15)20(29)26-14-6-8-17(23)16(12-14)22-10-4-5-19(22)33(30,31)28(2)21(24)27-22/h1,6-9,12-13,19H,4-5,10-11H2,2H3,(H2,24,27)(H,26,29)/t19-,22-/m1/s1 KRTFPNBGWDVTOU-DENIHFKCSA-N 402427 US10329291, Example 18 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402427&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202035 405262417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804494 COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)nccc2c1 InChI=1S/C22H23FN6O3S/c1-29-21(24)28-22(8-3-4-18(22)33(29,30)31)16-11-14(5-6-17(16)23)27-20-19-13(7-9-25-20)10-15(32-2)12-26-19/h5-7,9-12,18H,3-4,8H2,1-2H3,(H2,24,28)(H,25,27)/t18-,22-/m1/s1 ANSVHMJEANLWCE-XMSQKQJNSA-N 402428 US10329291, Example 19 Beta-secretase 1 Homo sapiens 31.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402428&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201642 405262418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804496 COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)nccc2n1 InChI=1S/C21H22FN7O3S/c1-29-20(23)28-21(8-3-4-16(21)33(29,30)31)13-10-12(5-6-14(13)22)26-19-18-15(7-9-24-19)27-17(32-2)11-25-18/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,23,28)(H,24,26)/t16-,21-/m1/s1 XPAQUQVFMRPMDY-IIBYNOLFSA-N 402429 US10329291, Example 20 Beta-secretase 1 Homo sapiens 36.0 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402429&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201643 405262419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804498 COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)ccnc2c1 InChI=1S/C22H23FN6O3S/c1-29-21(24)28-22(8-3-4-19(22)33(29,30)31)15-10-13(5-6-16(15)23)27-17-7-9-25-18-11-14(32-2)12-26-20(17)18/h5-7,9-12,19H,3-4,8H2,1-2H3,(H2,24,28)(H,25,27)/t19-,22-/m1/s1 OOSNAVKSOJJPDB-DENIHFKCSA-N 402430 US10329291, Example 21 Beta-secretase 1 Homo sapiens 206 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402430&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201644 405262420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50941984 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 YGNDEESWZOXXLA-ZWKOTPCHSA-N 134354 US8846658, 66 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SL8 7B1P 50914981 242657629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942248 C[C@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18+/m1/s1 SJRMJSRRAFSJFY-LZVRBXCZSA-N 134364 US8846658, 77 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912806 242657639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942249 NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H16BrFN4O2/c18-12-4-5-14(21-7-12)16(24)22-13-3-1-2-11(6-13)17(9-19)10-25-8-15(20)23-17/h1-7H,8-10H2,(H2,20,23)(H,22,24)/t17-/m0/s1 GWTUALKYCOKUGL-KRWDZBQOSA-N 134322 US8846658, 33 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914255 242657597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942360 CC1(C)OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H18BrF3N4O2/c1-18(2)17(24)27-19(9-29-18,16(22)23)12-7-11(4-5-13(12)21)26-15(28)14-6-3-10(20)8-25-14/h3-8,16H,9H2,1-2H3,(H2,24,27)(H,26,28)/t19-/m0/s1 QYJJAJOYUWJUAO-IBGZPJMESA-N 50273391 CHEMBL4126839 Beta-secretase 1 Homo sapiens 87 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961476 405256546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942361 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26) WLOOOUPMVOAGDW-UHFFFAOYSA-N 134330 US8846658, 42 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914546 242657605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942362 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C19H15F4N5O2/c1-9-2-10(5-24)6-26-16(9)17(29)27-11-3-12(15(21)13(20)4-11)19(18(22)23)8-30-7-14(25)28-19/h2-4,6,18H,7-8H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 AGYZHWLVQUIXGN-IBGZPJMESA-N 50273396 CHEMBL4128770 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86699707 405256547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942363 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CC2)C(N)=N1)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-11-6-12(8-25)9-27-16(11)17(30)28-13-2-3-15(22)14(7-13)21(18(23)24)10-31-20(4-5-20)19(26)29-21/h2-3,6-7,9,18H,4-5,10H2,1H3,(H2,26,29)(H,28,30)/t21-/m0/s1 DHUMVRSVKMQPEU-NRFANRHFSA-N 50273406 CHEMBL4128406 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962826 405256548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942364 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C21H19F4N5O2/c1-12-4-13(6-26)7-28-17(12)18(31)29-14-2-3-16(25)15(5-14)20(8-22)11-32-21(9-23,10-24)19(27)30-20/h2-5,7H,8-11H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 IOFNDJLWBOSVRD-FQEVSTJZSA-N 50273407 CHEMBL4127426 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70374550 405256549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942365 NC1=N[C@](COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H15BrF2N4O2/c18-11-4-5-13(22-7-11)15(25)23-12-3-1-2-10(6-12)17(16(19)20)9-26-8-14(21)24-17/h1-7,16H,8-9H2,(H2,21,24)(H,23,25)/t17-/m0/s1 ICJYNQVYBWGPSY-KRWDZBQOSA-N 50273408 CHEMBL4127807 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960446 405256550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942366 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)c(F)cc1F InChI=1S/C17H13BrF4N4O2/c18-8-1-2-12(24-5-8)15(27)25-13-3-9(10(19)4-11(13)20)17(16(21)22)7-28-6-14(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27) JFBAPCCCHNRWQY-UHFFFAOYSA-N 134368 US8846658, 81 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912937 242657643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942367 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CC2)C(N)=N1)C(F)F)C#N InChI=1S/C21H18F3N5O2/c1-11-6-12(8-25)9-27-16(11)17(30)28-13-2-3-15(22)14(7-13)21(18(23)24)10-31-20(4-5-20)19(26)29-21/h2-3,6-7,9,18H,4-5,10H2,1H3,(H2,26,29)(H,28,30)/t21-/m0/s1 DHUMVRSVKMQPEU-NRFANRHFSA-N 50273406 CHEMBL4128406 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962826 405256548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942368 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 HALWMQVNBCAXRZ-KRWDZBQOSA-N 134293 US8846658, 3 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search D9W 6FGY 50913659 242657568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942378 CO[C@@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H22FN5O3/c1-12-7-13(9-23)10-25-17(12)18(28)26-14-5-6-16(22)15(8-14)20(2)11-30-21(3,29-4)19(24)27-20/h5-8,10H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21-/m0/s1 XOJIRBMLPVXBQH-SFTDATJTSA-N 50273409 CHEMBL4129637 Beta-secretase 1 Homo sapiens 207 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963489 405256551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942379 NC1=NC(COC1)(C(F)F)c1c(F)ccc(NC(=O)c2ccc(Br)cn2)c1F InChI=1S/C17H13BrF4N4O2/c18-8-1-3-11(24-5-8)15(27)25-10-4-2-9(19)13(14(10)20)17(16(21)22)7-28-6-12(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27) VIYMANLLXZUNSR-UHFFFAOYSA-N 50273410 CHEMBL4130130 Beta-secretase 1 Homo sapiens 69 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962264 405256552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942380 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C21H20F3N5O2/c1-12-5-13(7-25)8-27-17(12)18(30)28-14-3-4-16(24)15(6-14)20(2)11-31-21(9-22,10-23)19(26)29-20/h3-6,8H,9-11H2,1-2H3,(H2,26,29)(H,28,30)/t20-/m0/s1 NAKZTXHQHCNVHW-FQEVSTJZSA-N 50273411 CHEMBL4127572 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70374972 405256553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942381 NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F InChI=1S/C17H14ClF3N4O2/c18-11-4-5-13(23-7-11)15(26)24-12-3-1-2-10(6-12)16(17(19,20)21)9-27-8-14(22)25-16/h1-7H,8-9H2,(H2,22,25)(H,24,26) KBYCQYPXPIXAHW-UHFFFAOYSA-N 50012652 CHEMBL3261066 Beta-secretase 1 Homo sapiens 352 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118813 103924905 CHEMBL3261066 ZINC29409976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942382 NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F InChI=1S/C17H14ClF3N4O2/c18-11-4-5-13(23-7-11)15(26)24-12-3-1-2-10(6-12)16(17(19,20)21)9-27-8-14(22)25-16/h1-7H,8-9H2,(H2,22,25)(H,24,26) KBYCQYPXPIXAHW-UHFFFAOYSA-N 50012652 CHEMBL3261066 Beta-secretase 1 Homo sapiens 324 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118813 103924905 CHEMBL3261066 ZINC29409976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942383 C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18-/m0/s1 SJRMJSRRAFSJFY-YYSFKGJASA-N 134365 US8846658, 78 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118864 242657640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942391 NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H16BrFN4O2/c18-12-4-5-14(21-7-12)16(24)22-13-3-1-2-11(6-13)17(9-19)10-25-8-15(20)23-17/h1-7H,8-10H2,(H2,20,23)(H,22,24)/t17-/m0/s1 GWTUALKYCOKUGL-KRWDZBQOSA-N 134322 US8846658, 33 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914255 242657597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942393 NC1=N[C@](COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H15BrF2N4O2/c18-11-4-5-13(22-7-11)15(25)23-12-3-1-2-10(6-12)17(16(19)20)9-26-8-14(21)24-17/h1-7,16H,8-9H2,(H2,21,24)(H,23,25)/t17-/m0/s1 ICJYNQVYBWGPSY-KRWDZBQOSA-N 50273408 CHEMBL4127807 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960446 405256550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942394 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26)/t17-/m0/s1 WLOOOUPMVOAGDW-KRWDZBQOSA-N 134401 US8846658, 118 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645128 242657676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942395 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)c(F)cc1F InChI=1S/C17H13BrF4N4O2/c18-8-1-2-12(24-5-8)15(27)25-13-3-9(10(19)4-11(13)20)17(16(21)22)7-28-6-14(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27) JFBAPCCCHNRWQY-UHFFFAOYSA-N 134368 US8846658, 81 Beta-secretase 1 Homo sapiens 1119 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134368&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912937 242657643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942396 NC1=NC(COC1)(C(F)F)c1c(F)ccc(NC(=O)c2ccc(Br)cn2)c1F InChI=1S/C17H13BrF4N4O2/c18-8-1-3-11(24-5-8)15(27)25-10-4-2-9(19)13(14(10)20)17(16(21)22)7-28-6-12(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27) VIYMANLLXZUNSR-UHFFFAOYSA-N 50273410 CHEMBL4130130 Beta-secretase 1 Homo sapiens 701 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145962264 405256552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804500 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F InChI=1S/C21H20BrFN6O2S/c1-29-20(24)28-21(7-2-3-17(21)32(29,30)31)15-10-14(4-5-16(15)23)27-19-18-12(6-8-25-19)9-13(22)11-26-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,24,28)(H,25,27)/t17-,21-/m1/s1 PCMNXOOCUMIYSA-DYESRHJHSA-N 402431 US10329291, Example 22 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402431&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201652 405262421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804502 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F InChI=1S/C20H19BrFN7O2S/c1-29-19(23)28-20(6-2-3-16(20)32(29,30)31)13-8-12(4-5-14(13)22)27-18-17-15(25-10-26-18)7-11(21)9-24-17/h4-5,7-10,16H,2-3,6H2,1H3,(H2,23,28)(H,25,26,27)/t16-,20-/m1/s1 LYFUOUCTBFBWCS-OXQOHEQNSA-N 402432 US10329291, Example 23 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402432&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129201965 405262422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804504 CN1C(=N)NC2(CC2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H15ClFN5O3S/c1-24-16(20)23-17(7-14(17)28(24,26)27)11-6-10(3-4-12(11)19)22-15(25)13-5-2-9(18)8-21-13/h2-6,8,14H,7H2,1H3,(H2,20,23)(H,22,25) ZHGYBRPOZJHRKE-UHFFFAOYSA-N 402433 US10329291, Example 32 Beta-secretase 1 Homo sapiens 2516 US Patent 10.7270/Q2ZW1P72 aid1799347 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402433&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202075 405262423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804506 COCC(=O)Nc1ccc(F)c(c1)C12CCCC1S(=O)(=O)N(C)C(=N)N2 InChI=1S/C16H21FN4O4S/c1-21-15(18)20-16(7-3-4-13(16)26(21,23)24)11-8-10(5-6-12(11)17)19-14(22)9-25-2/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,20)(H,19,22) GENCTSDDOMQPCQ-UHFFFAOYSA-N 402434 US10329291, Example 35 Beta-secretase 1 Homo sapiens 368 US Patent 10.7270/Q2ZW1P72 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202137 405262424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 804508 CN1C(=N)NC2(CCCC2S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F InChI=1S/C15H17F3N4O3S/c1-22-14(19)21-15(6-2-3-11(15)26(22,24)25)9-7-8(4-5-10(9)16)20-13(23)12(17)18/h4-5,7,11-12H,2-3,6H2,1H3,(H2,19,21)(H,20,23) GJNKCGGHTCPMIL-UHFFFAOYSA-N 402435 US10329291, Example 36 Beta-secretase 1 Homo sapiens 1084 US Patent 10.7270/Q2ZW1P72 US10329291 Scott, JD; Blizzard, TA; Walsh, SP; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=402435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=402435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202132 405262425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942397 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C19H16F3N5O2/c1-10-4-11(6-23)7-25-16(10)17(28)26-12-2-3-14(20)13(5-12)19(18(21)22)9-29-8-15(24)27-19/h2-5,7,18H,8-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 DHIZXRDJXNCTKQ-IBGZPJMESA-N 23140 US8846658, 144::US8846658, 147 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118873 249493549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942398 C[C@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18+/m1/s1 SJRMJSRRAFSJFY-LZVRBXCZSA-N 134364 US8846658, 77 Beta-secretase 1 Homo sapiens 92 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134364&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912806 242657639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942399 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CCOCC2)C(N)=N1)C(F)F)C#N InChI=1S/C23H22F3N5O3/c1-13-8-14(10-27)11-29-18(13)19(32)30-15-2-3-17(24)16(9-15)23(20(25)26)12-34-22(21(28)31-23)4-6-33-7-5-22/h2-3,8-9,11,20H,4-7,12H2,1H3,(H2,28,31)(H,30,32)/t23-/m0/s1 CWIWTEVLXAMVIJ-QHCPKHFHSA-N 50273420 CHEMBL4129775 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145953996 405256554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942400 CO[C@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H22FN5O3/c1-12-7-13(9-23)10-25-17(12)18(28)26-14-5-6-16(22)15(8-14)20(2)11-30-21(3,29-4)19(24)27-20/h5-8,10H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21+/m0/s1 XOJIRBMLPVXBQH-LEWJYISDSA-N 50273421 CHEMBL4126351 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963167 405256555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942401 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@H]2CO[C@H]1O2)C#N InChI=1S/C20H18FN5O3/c1-10-5-11(7-22)8-24-16(10)18(27)25-12-3-4-14(21)13(6-12)20(2)19-28-9-15(29-19)17(23)26-20/h3-6,8,15,19H,9H2,1-2H3,(H2,23,26)(H,25,27)/t15-,19-,20+/m0/s1 IWQYCOQYPQFWSO-RYGJVYDSSA-N 50273422 CHEMBL4126197 Beta-secretase 1 Homo sapiens 53 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961033 405256556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942402 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC(CF)(CF)C(N)=N1)C(F)F)C#N InChI=1S/C21H18F5N5O2/c1-11-4-12(6-27)7-29-16(11)17(32)30-13-2-3-15(24)14(5-13)21(18(25)26)10-33-20(8-22,9-23)19(28)31-21/h2-5,7,18H,8-10H2,1H3,(H2,28,31)(H,30,32)/t21-/m0/s1 YUZSDWFHQCTBLU-NRFANRHFSA-N 50273423 CHEMBL4128824 Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963458 405256557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942414 C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18-/m0/s1 YGNDEESWZOXXLA-ROUUACIJSA-N 50273443 CHEMBL4128145 Beta-secretase 1 Homo sapiens 1077 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963432 104117569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942415 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 HALWMQVNBCAXRZ-KRWDZBQOSA-N 134293 US8846658, 3 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search D9W 6FGY 50913659 242657568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942416 NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26) WLOOOUPMVOAGDW-UHFFFAOYSA-N 134330 US8846658, 42 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914546 242657605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942417 NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26)/t17-/m0/s1 WLOOOUPMVOAGDW-KRWDZBQOSA-N 134401 US8846658, 118 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56645128 242657676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942418 Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C19H15F4N5O2/c1-9-2-10(5-24)6-26-16(9)17(29)27-11-3-12(15(21)13(20)4-11)19(18(22)23)8-30-7-14(25)28-19/h2-4,6,18H,7-8H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 AGYZHWLVQUIXGN-IBGZPJMESA-N 50273396 CHEMBL4128770 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86699707 405256547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942419 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C19H16F3N5O2/c1-10-4-11(6-23)7-25-16(10)17(28)26-12-2-3-14(20)13(5-12)19(18(21)22)9-29-8-15(24)27-19/h2-5,7,18H,8-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 DHIZXRDJXNCTKQ-IBGZPJMESA-N 23140 US8846658, 144::US8846658, 147 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118873 249493549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942420 CC1(C)OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H18BrF3N4O2/c1-18(2)17(24)27-19(9-29-18,16(22)23)12-7-11(4-5-13(12)21)26-15(28)14-6-3-10(20)8-25-14/h3-8,16H,9H2,1-2H3,(H2,24,27)(H,26,28)/t19-/m0/s1 QYJJAJOYUWJUAO-IBGZPJMESA-N 50273391 CHEMBL4126839 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961476 405256546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942421 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CCOCC2)C(N)=N1)C(F)F)C#N InChI=1S/C23H22F3N5O3/c1-13-8-14(10-27)11-29-18(13)19(32)30-15-2-3-17(24)16(9-15)23(20(25)26)12-34-22(21(28)31-23)4-6-33-7-5-22/h2-3,8-9,11,20H,4-7,12H2,1H3,(H2,28,31)(H,30,32)/t23-/m0/s1 CWIWTEVLXAMVIJ-QHCPKHFHSA-N 50273420 CHEMBL4129775 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145953996 405256554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942422 CO[C@@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H22FN5O3/c1-12-7-13(9-23)10-25-17(12)18(28)26-14-5-6-16(22)15(8-14)20(2)11-30-21(3,29-4)19(24)27-20/h5-8,10H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21-/m0/s1 XOJIRBMLPVXBQH-SFTDATJTSA-N 50273409 CHEMBL4129637 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963489 405256551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942423 CO[C@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H22FN5O3/c1-12-7-13(9-23)10-25-17(12)18(28)26-14-5-6-16(22)15(8-14)20(2)11-30-21(3,29-4)19(24)27-20/h5-8,10H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21+/m0/s1 XOJIRBMLPVXBQH-LEWJYISDSA-N 50273421 CHEMBL4126351 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963167 405256555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942424 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@H]2CO[C@H]1O2)C#N InChI=1S/C20H18FN5O3/c1-10-5-11(7-22)8-24-16(10)18(27)25-12-3-4-14(21)13(6-12)20(2)19-28-9-15(29-19)17(23)26-20/h3-6,8,15,19H,9H2,1-2H3,(H2,23,26)(H,25,27)/t15-,19-,20+/m0/s1 IWQYCOQYPQFWSO-RYGJVYDSSA-N 50273422 CHEMBL4126197 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145961033 405256556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942425 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C21H20F3N5O2/c1-12-5-13(7-25)8-27-17(12)18(30)28-14-3-4-16(24)15(6-14)20(2)11-31-21(9-22,10-23)19(26)29-20/h3-6,8H,9-11H2,1-2H3,(H2,26,29)(H,28,30)/t20-/m0/s1 NAKZTXHQHCNVHW-FQEVSTJZSA-N 50273411 CHEMBL4127572 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70374972 405256553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942426 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C21H19F4N5O2/c1-12-4-13(6-26)7-28-17(12)18(31)29-14-2-3-16(25)15(5-14)20(8-22)11-32-21(9-23,10-24)19(27)30-20/h2-5,7H,8-11H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 IOFNDJLWBOSVRD-FQEVSTJZSA-N 50273407 CHEMBL4127426 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70374550 405256549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942427 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC(CF)(CF)C(N)=N1)C(F)F)C#N InChI=1S/C21H18F5N5O2/c1-11-4-12(6-27)7-29-16(11)17(32)30-13-2-3-15(24)14(5-13)21(18(25)26)10-33-20(8-22,9-23)19(28)31-21/h2-5,7,18H,8-10H2,1H3,(H2,28,31)(H,30,32)/t21-/m0/s1 YUZSDWFHQCTBLU-NRFANRHFSA-N 50273423 CHEMBL4128824 Beta-secretase 1 Homo sapiens 663 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963458 405256557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942428 C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18-/m0/s1 YGNDEESWZOXXLA-ROUUACIJSA-N 50273443 CHEMBL4128145 Beta-secretase 1 Homo sapiens 1161 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963432 104117569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942429 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 YGNDEESWZOXXLA-ZWKOTPCHSA-N 134354 US8846658, 66 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SL8 7B1P 50914981 242657629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50942430 C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18-/m0/s1 SJRMJSRRAFSJFY-YYSFKGJASA-N 134365 US8846658, 78 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2018.05.003 10.7270/Q26T0Q5P 29764741 Veenstra, SJ; Rueeger, H; Voegtle, M; Lueoend, R; Holzer, P; Hurth, K; Tintelnot-Blomley, M; Frederiksen, M; Rondeau, JM; Jacobson, L; Staufenbiel, M; Neumann, U; Machauer, R Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134365&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58118864 242657640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801513 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H17F5N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 OKTQKJMRIBXJQN-ZWKOTPCHSA-N 234448 US10004738, 1::US9353084, 1 Beta-secretase 1 Homo sapiens 83.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307940 340094436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801514 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H17F5N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1 OKTQKJMRIBXJQN-QZTJIDSGSA-N 234449 US10004738, 2::US9353084, 2 Beta-secretase 1 Homo sapiens 210 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307923 340094437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801515 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 OTPYSIDSJNTMOG-ZWKOTPCHSA-N 234450 US10004738, 3::US9353084, 3 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307963 340094438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801516 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 VCVSZIBVXNPLJH-RBUKOAKNSA-N 234451 US10004738, 4::US9353084, 4 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307991 340094439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801517 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(30-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18+/m0/s1 HFGDZWAAFQJTRL-ZWKOTPCHSA-N 234452 US10004738, 5::US9353084, 5 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307957 340094440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801518 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C18H17F6N5O/c1-16(22)8-18(23,24)17(2,27-14(16)25)10-7-9(3-4-11(10)19)26-13(30)12-5-6-29(28-12)15(20)21/h3-7,15H,8H2,1-2H3,(H2,25,27)(H,26,30)/t16-,17+/m0/s1 NHAKNDZGVHHIEX-DLBZAZTESA-N 234453 US10004738, 6::US9353084, 6 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307910 340094441 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801519 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-24-13(7-28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17+/m0/s1 UFLNEUNQYILWEH-DLBZAZTESA-N 234454 US10004738, 7::US9353084, 7 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234454&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307941 340094442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801520 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F InChI=1S/C17H16F4N4OS/c1-15(19)8-17(20,21)16(2,25-14(15)22)10-7-9(3-4-11(10)18)24-12(26)13-23-5-6-27-13/h3-7H,8H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16+/m0/s1 PZMYIHWMYVSDEE-JKSUJKDBSA-N 234455 US10004738, 8::US9353084, 8 Beta-secretase 1 Homo sapiens 66.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234455&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307953 340094443 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801521 Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1 HOESHHMMCCAKCR-DLBZAZTESA-N 234456 US10004738, 9::US9353084, 9 Beta-secretase 1 Homo sapiens 100.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307976 340094444 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801522 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C18H18F4N4OS/c1-9-7-28-14(24-9)13(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17+/m0/s1 JOQPMLZUFXKUND-DLBZAZTESA-N 234457 US10004738, 10::US9353084, 10 Beta-secretase 1 Homo sapiens 44.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307983 340094445 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801523 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H17F7N4O/c1-17(22)9-19(23,24)18(2,31-16(17)28)12-7-11(4-5-13(12)21)30-15(32)14-6-3-10(8-29-14)20(25,26)27/h3-8H,9H2,1-2H3,(H2,28,31)(H,30,32)/t17-,18+/m0/s1 ZAMLOFZOUSOLCR-ZWKOTPCHSA-N 234458 US10004738, 11::US9353084, 11 Beta-secretase 1 Homo sapiens 63.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307988 340094446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801524 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)12-6-10(4-5-13(12)20)27-15(29)14-25-7-11(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18+/m0/s1 RFYVGRKMWIRDAM-ZWKOTPCHSA-N 234459 US10004738, 12::US9353084, 12 Beta-secretase 1 Homo sapiens 29.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307962 340094447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801525 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17+/m0/s1 AZEVOUFIGCGOAJ-DLBZAZTESA-N 234460 US10004738, 13::US9353084, 13 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307965 340094448 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801526 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1 VXSCRCDTZOWMAO-DLBZAZTESA-N 234461 US10004738, 14::US9353084, 14 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307933 340094449 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801527 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F InChI=1S/C18H17F5N4OS/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1 NSOJAQHWGSHYBF-DLBZAZTESA-N 234462 US10004738, 15::US9353084, 15 Beta-secretase 1 Homo sapiens 46.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307915 340094450 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801528 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H17F6N5O/c1-17(23)8-19(24,25)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)13-7-27-12(6-28-13)14(21)22/h3-7,14H,8H2,1-2H3,(H2,26,30)(H,29,31)/t17-,18+/m0/s1 NGGJLXQTUJENAA-ZWKOTPCHSA-N 234463 US10004738, 16::US9353084, 16 Beta-secretase 1 Homo sapiens 58.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307906 340094451 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801529 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1 YWLRPFXPTFLZDK-RBUKOAKNSA-N 234464 US10004738, 48::US9353084, 17 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307943 340094452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801530 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 YQEYIBBJTJIMBM-VQTJNVASSA-N 234465 US10004738, 18::US9353084, 18 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91827634 340094453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801531 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)n1 InChI=1S/C20H21F4N5O2/c1-10-15(26-8-14(27-10)31-4)16(30)28-11-5-6-13(21)12(7-11)19(3)20(23,24)9-18(2,22)17(25)29-19/h5-8H,9H2,1-4H3,(H2,25,29)(H,28,30)/t18-,19+/m0/s1 QIJVGCAOVFBXFY-RBUKOAKNSA-N 234466 US10004738, 19::US9353084, 19 Beta-secretase 1 Homo sapiens 32.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307959 340094454 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801532 Cc1nnc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C17H17F4N5O2/c1-8-25-26-13(28-8)12(27)23-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)24-16/h4-6H,7H2,1-3H3,(H2,22,24)(H,23,27)/t15-,16+/m0/s1 ZXEUQJAXUTWMOI-JKSUJKDBSA-N 234467 US10004738, 20::US9353084, 20 Beta-secretase 1 Homo sapiens 1600 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307982 340094455 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801533 Cc1noc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C17H17F4N5O2/c1-8-23-13(28-26-8)12(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16+/m0/s1 SUTNBTCNHDOKDD-JKSUJKDBSA-N 234468 US10004738, 21::US9353084, 21 Beta-secretase 1 Homo sapiens 58.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307904 340094456 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801534 Cn1cnc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C17H18F4N6O/c1-15(19)7-17(20,21)16(2,25-14(15)22)10-6-9(4-5-11(10)18)24-13(28)12-23-8-27(3)26-12/h4-6,8H,7H2,1-3H3,(H2,22,25)(H,24,28)/t15-,16+/m0/s1 ZADSHEURMUBVAC-JKSUJKDBSA-N 234469 US10004738, 22::US9353084, 22 Beta-secretase 1 Homo sapiens 110 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307985 340094457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801535 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F InChI=1S/C18H17F6N5O/c1-16(22)8-18(23,24)17(2,27-14(16)25)10-7-9(3-4-11(10)19)26-13(30)12-5-6-29(28-12)15(20)21/h3-7,15H,8H2,1-2H3,(H2,25,27)(H,26,30)/t16-,17-/m1/s1 NHAKNDZGVHHIEX-IAGOWNOFSA-N 234470 US10004738, 23::US9353084, 23 Beta-secretase 1 Homo sapiens 71.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307920 340094458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801536 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H17F6N5O/c1-17(23)8-19(24,25)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)13-7-27-12(6-28-13)14(21)22/h3-7,14H,8H2,1-2H3,(H2,26,30)(H,29,31)/t17-,18-/m1/s1 NGGJLXQTUJENAA-QZTJIDSGSA-N 234471 US10004738, 24::US9353084, 24 Beta-secretase 1 Homo sapiens 420 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307911 340094459 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801537 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(30-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1 HFGDZWAAFQJTRL-QZTJIDSGSA-N 234472 US10004738, 25::US9353084, 25 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307917 340094460 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801538 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)12-6-10(4-5-13(12)20)27-15(29)14-25-7-11(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1 RFYVGRKMWIRDAM-QZTJIDSGSA-N 234473 US10004738, 26::US9353084, 26 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307958 340094461 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801539 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4OS/c1-9-7-28-14(24-9)13(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1 JOQPMLZUFXKUND-IAGOWNOFSA-N 234474 US10004738, 27::US9353084, 27 Beta-secretase 1 Homo sapiens 140 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307951 340094462 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801540 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H17F7N4O/c1-17(22)9-19(23,24)18(2,31-16(17)28)12-7-11(4-5-13(12)21)30-15(32)14-6-3-10(8-29-14)20(25,26)27/h3-8H,9H2,1-2H3,(H2,28,31)(H,30,32)/t17-,18-/m1/s1 ZAMLOFZOUSOLCR-QZTJIDSGSA-N 234475 US10004738, 28::US9353084, 28 Beta-secretase 1 Homo sapiens 170 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307938 340094463 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801541 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17-/m1/s1 AZEVOUFIGCGOAJ-IAGOWNOFSA-N 234476 US10004738, 29::US9353084, 29 Beta-secretase 1 Homo sapiens 92.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234476&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307978 340094464 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801542 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17-/m1/s1 VXSCRCDTZOWMAO-IAGOWNOFSA-N 234477 US10004738, 30::US9353084, 30 Beta-secretase 1 Homo sapiens 260 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307955 340094465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801543 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F InChI=1S/C18H17F5N4OS/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17-/m1/s1 NSOJAQHWGSHYBF-IAGOWNOFSA-N 234478 US10004738, 31::US9353084, 31 Beta-secretase 1 Homo sapiens 92.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307913 340094466 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801544 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m1/s1 VCVSZIBVXNPLJH-RTBURBONSA-N 234479 US10004738, 32::US9353084, 32 Beta-secretase 1 Homo sapiens 51.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307990 340094467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801545 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1 OTPYSIDSJNTMOG-QZTJIDSGSA-N 234480 US10004738, 33::US9353084, 33 Beta-secretase 1 Homo sapiens 62.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307925 340094468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801546 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-24-13(7-28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1 UFLNEUNQYILWEH-IAGOWNOFSA-N 234481 US10004738, 34::US9353084, 34 Beta-secretase 1 Homo sapiens 210 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307954 340094469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801547 Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C17H17F4N5O2/c1-8-23-12(26-28-8)13(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16-/m1/s1 WMKOPKSKWBVFKU-HZPDHXFCSA-N 234482 US10004738, 35::US9353084, 35 Beta-secretase 1 Homo sapiens 680 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307989 340094470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801548 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F InChI=1S/C17H16F4N4OS/c1-15(19)8-17(20,21)16(2,25-14(15)22)10-7-9(3-4-11(10)18)24-12(26)13-23-5-6-27-13/h3-7H,8H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16-/m1/s1 PZMYIHWMYVSDEE-HZPDHXFCSA-N 234483 US10004738, 36::US9353084, 36 Beta-secretase 1 Homo sapiens 390 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307914 340094471 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801549 Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17-/m1/s1 HOESHHMMCCAKCR-IAGOWNOFSA-N 234484 US10004738, 37::US9353084, 37 Beta-secretase 1 Homo sapiens 420 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307981 340094472 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801550 Cc1cn(C)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H21F4N5O/c1-10-8-28(4)14(25-10)15(29)26-11-5-6-13(20)12(7-11)18(3)19(22,23)9-17(2,21)16(24)27-18/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,29)/t17-,18-/m1/s1 BXYUHPWNQCGGDU-QZTJIDSGSA-N 234485 US10004738, 38::US9353084, 38 Beta-secretase 1 Homo sapiens 1000 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307952 340094473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801551 Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H19F4N5O/c1-16(20)9-18(21,22)17(2,25-15(16)23)11-8-10(4-5-12(11)19)24-14(28)13-6-7-27(3)26-13/h4-8H,9H2,1-3H3,(H2,23,25)(H,24,28)/t16-,17-/m1/s1 RRZWWULQZFQDCP-IAGOWNOFSA-N 234486 US10004738, 39::US9353084, 39 Beta-secretase 1 Homo sapiens 4800 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307984 340094474 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801552 Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-6-13(28-26-9)14(27)24-10-4-5-12(19)11(7-10)17(3)18(21,22)8-16(2,20)15(23)25-17/h4-7H,8H2,1-3H3,(H2,23,25)(H,24,27)/t16-,17-/m1/s1 CHSNPRBZZZJYHX-IAGOWNOFSA-N 234487 US10004738, 40::US9353084, 40 Beta-secretase 1 Homo sapiens 8200 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307977 340094475 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801553 Cc1ccc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C19H19F4N3O2/c1-10-4-7-14(28-10)15(27)25-11-5-6-13(20)12(8-11)18(3)19(22,23)9-17(2,21)16(24)26-18/h4-8H,9H2,1-3H3,(H2,24,26)(H,25,27)/t17-,18-/m1/s1 UMBJREUTONPUSK-QZTJIDSGSA-N 234488 US10004738, 41::US9353084, 41 Beta-secretase 1 Homo sapiens 520 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307909 340094476 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801554 Cc1ncc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C18H18F4N4O2/c1-9-24-7-13(28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1 VBCSAZLAPMXFSR-IAGOWNOFSA-N 234489 US10004738, 42::US9353084, 42 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307950 340094477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801555 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19-/m1/s1 YWLRPFXPTFLZDK-RTBURBONSA-N 401022 N-(3-((2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-(methoxy-d3)picolinamide::US10004738, 43 Beta-secretase 1 Homo sapiens 91.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=401022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=401022&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146047491 405261023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801556 C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F InChI=1S/C20H18ClF4N3O/c1-18(23)10-20(24,25)19(2,28-17(18)26)14-9-13(7-8-15(14)22)27-16(29)11-3-5-12(21)6-4-11/h3-9H,10H2,1-2H3,(H2,26,28)(H,27,29)/t18-,19-/m1/s1 MGSJYJDBSCSZJE-RTBURBONSA-N 234490 US10004738, 44::US9353084, 44 Beta-secretase 1 Homo sapiens 740 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307964 340094478 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801557 C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C20H18F6N4O2/c1-18(24)9-20(25,26)19(2,30-16(18)27)12-7-10(3-5-13(12)21)29-15(31)14-6-4-11(8-28-14)32-17(22)23/h3-8,17H,9H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1 ISOMMQYAKXKVIU-RBUKOAKNSA-N 234491 US10004738, 45::US9353084, 45 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307967 340094479 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801558 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(F)c1 InChI=1S/C20H19F5N4O2/c1-18(23)9-20(24,25)19(2,29-17(18)26)12-6-10(4-5-13(12)21)28-16(30)15-14(22)7-11(31-3)8-27-15/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 KGWKKESEYVBROW-RBUKOAKNSA-N 234492 US10004738, 46::US9353084, 46 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307916 340094480 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801559 Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)o1 InChI=1S/C19H20F4N4O2/c1-9-14(25-10(2)29-9)15(28)26-11-5-6-13(20)12(7-11)18(4)19(22,23)8-17(3,21)16(24)27-18/h5-7H,8H2,1-4H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 ANSIAVPOQGVLFC-ZWKOTPCHSA-N 234493 US10004738, 47::US9353084, 47 Beta-secretase 1 Homo sapiens 65.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307972 340094481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801560 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1 YWLRPFXPTFLZDK-RBUKOAKNSA-N 234464 US10004738, 48::US9353084, 17 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307943 340094452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 801561 Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F InChI=1S/C20H19F5N4O/c1-10-6-11(21)8-27-15(10)16(30)28-12-4-5-14(22)13(7-12)19(3)20(24,25)9-18(2,23)17(26)29-19/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 JZWNILHOEJVHHZ-RBUKOAKNSA-N 234494 US10004738, 49::US9353084, 49 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2B85BGS aid1799285 US10004738 Juhl, K; Marigo, M; Tagmose, L; Jensen, T H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118307926 340094482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989635 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)COC1=C(F)F InChI=1S/C18H16F3N5O3/c1-18(15(16(20)21)29-8-13(22)26-18)10-5-9(3-4-11(10)19)25-17(27)12-6-24-14(28-2)7-23-12/h3-7H,8H2,1-2H3,(H2,22,26)(H,25,27)/t18-/m1/s1 UQVVDBVREMLAII-GOSISDBHSA-N 50280404 CHEMBL4170106 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955110 104122108 ZINC06524391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989636 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(17(20)27-9-15(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,17H,9H2,1H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 XHHSQAOCTYSLLM-ZWKOTPCHSA-N 50131809 CHEMBL3634342 Beta-secretase 1 Homo sapiens 8.3 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 81689770 321903401 CHEMBL3634342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989638 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)N2CCC2)ccc1F InChI=1S/C20H20F4N6O2/c1-19(18(20(22,23)24)32-10-15(25)29-19)12-7-11(3-4-13(12)21)28-17(31)14-8-27-16(9-26-14)30-5-2-6-30/h3-4,7-9,18H,2,5-6,10H2,1H3,(H2,25,29)(H,28,31)/t18-,19-/m1/s1 OQRSXZZTAADKFM-RTBURBONSA-N 50280449 CHEMBL4160644 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145957650 104122153 ZINC03799963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989640 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F InChI=1S/C18H14F3N5O2/c1-18(17(21)28-8-14(23)26-18)11-5-10(2-3-12(11)19)25-16(27)15-13(20)4-9(6-22)7-24-15/h2-5,7,17H,8H2,1H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1 PASVPQXUHXFXJX-ZWKOTPCHSA-N 50280452 CHEMBL4175845 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971201 104122156 ZINC14714904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989641 C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2cncnc2)ccc1F InChI=1S/C16H16FN5O2/c1-16(8-24-7-14(18)22-16)12-4-11(2-3-13(12)17)21-15(23)10-5-19-9-20-6-10/h2-6,9H,7-8H2,1H3,(H2,18,22)(H,21,23)/t16-/m0/s1 YFTVSHJEIOBWOX-INIZCTEOSA-N 50280453 CHEMBL4167898 Beta-secretase 1 Homo sapiens 1862 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955939 104122157 ZINC27524293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989642 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C34H40F2N4OS/c1-2-3-4-5-14-23-40(30-21-20-28(35)25-29(30)36)34(41)37-22-13-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39) AQNDICLLSTUPNE-UHFFFAOYSA-N 50280423 CHEMBL4165225 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127255875 104122127 ZINC36331467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989643 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F InChI=1S/C18H17F4N5O3/c1-17(16(18(20,21)22)30-8-13(23)27-17)10-5-9(3-4-11(10)19)26-15(28)12-6-25-14(29-2)7-24-12/h3-7,16H,8H2,1-2H3,(H2,23,27)(H,26,28)/t16-,17-/m1/s1 YWZJCVZZWKAFAZ-IAGOWNOFSA-N 50280462 CHEMBL4165629 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54761221 104122166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989644 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F InChI=1S/C19H17F7N6O2/c1-17(16(19(24,25)26)34-7-13(27)32-17)10-4-9(2-3-11(10)20)31-15(33)12-5-29-14(6-28-12)30-8-18(21,22)23/h2-6,16H,7-8H2,1H3,(H2,27,32)(H,29,30)(H,31,33)/t16-,17-/m1/s1 JPVBNXPAEVLLBW-IAGOWNOFSA-N 50280468 CHEMBL4164046 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960781 104122172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989645 C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ncccc2C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(10-26-9-15(21)24-18)13-7-12(4-5-14(13)19)23-17(25)16-11(8-20)3-2-6-22-16/h2-7H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 MUPYNNYQWKFHDL-SFHVURJKSA-N 50280472 CHEMBL4173236 Beta-secretase 1 Homo sapiens 129 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145949506 104122176 ZINC12504047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989646 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF4N5O2/c1-18(17(19(22,23)24)31-8-14(26)29-18)11-5-10(2-3-13(11)21)28-16(30)15-12(20)4-9(6-25)7-27-15/h2-5,7,17H,8H2,1H3,(H2,26,29)(H,28,30)/t17-,18-/m1/s1 YXZJAQWZKFLQLN-QZTJIDSGSA-N 50280473 CHEMBL4169060 Beta-secretase 1 Homo sapiens 6.4 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145954147 104122177 ZINC27657442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989647 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)F InChI=1S/C18H18F3N5O3/c1-18(15(16(20)21)29-8-13(22)26-18)10-5-9(3-4-11(10)19)25-17(27)12-6-24-14(28-2)7-23-12/h3-7,15-16H,8H2,1-2H3,(H2,22,26)(H,25,27)/t15-,18+/m0/s1 UTGAHEBFVPQOGI-MAUKXSAKSA-N 50280451 CHEMBL4162197 Beta-secretase 1 Homo sapiens 4.9 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117700435 104122155 ZINC13447673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989648 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NC3CC3)cn2)ccc1F InChI=1S/C20H20F4N6O2/c1-19(18(20(22,23)24)32-9-15(25)30-19)12-6-11(4-5-13(12)21)29-17(31)14-7-27-16(8-26-14)28-10-2-3-10/h4-8,10,18H,2-3,9H2,1H3,(H2,25,30)(H,27,28)(H,29,31)/t18-,19-/m1/s1 PGWONOYPSIDCQI-RTBURBONSA-N 50280481 CHEMBL4171250 Beta-secretase 1 Homo sapiens 603 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145951346 104122185 ZINC27657184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989744 COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F InChI=1S/C20H21F4N5O4/c1-19(18(20(22,23)24)33-10-15(25)29-19)12-7-11(3-4-13(12)21)28-17(30)14-8-27-16(9-26-14)32-6-5-31-2/h3-4,7-9,18H,5-6,10H2,1-2H3,(H2,25,29)(H,28,30)/t18-,19-/m1/s1 AANLQBIDWIHDGD-RTBURBONSA-N 50280517 CHEMBL4159574 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145956622 104122221 ZINC27871817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989779 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(17(20)27-9-15(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,17H,9H2,1H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1 XHHSQAOCTYSLLM-ZWKOTPCHSA-N 50131809 CHEMBL3634342 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 81689770 321903401 CHEMBL3634342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989780 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17+/m0/s1 VDDPPIGLCDMNCU-DLBZAZTESA-N 50131799 CHEMBL3634125 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195839 321903391 CHEMBL3634125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989781 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF4N5O2/c1-18(17(19(22,23)24)31-8-14(26)29-18)11-5-10(2-3-13(11)21)28-16(30)15-12(20)4-9(6-25)7-27-15/h2-5,7,17H,8H2,1H3,(H2,26,29)(H,28,30)/t17-,18-/m1/s1 YXZJAQWZKFLQLN-QZTJIDSGSA-N 50280473 CHEMBL4169060 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145954147 104122177 ZINC27657442 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989782 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1 KUEUDMYMTXDGEE-IAGOWNOFSA-N 50012669 CHEMBL3261072 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656194 242058161 CHEMBL3261072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989783 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)F InChI=1S/C18H18F3N5O3/c1-18(15(16(20)21)29-8-13(22)26-18)10-5-9(3-4-11(10)19)25-17(27)12-6-24-14(28-2)7-23-12/h3-7,15-16H,8H2,1-2H3,(H2,22,26)(H,25,27)/t15-,18+/m0/s1 UTGAHEBFVPQOGI-MAUKXSAKSA-N 50280451 CHEMBL4162197 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117700435 104122155 ZINC13447673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989784 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H16F7N5O3/c1-17(16(19(24,25)26)33-7-13(27)31-17)10-4-9(2-3-11(10)20)30-15(32)12-5-29-14(6-28-12)34-8-18(21,22)23/h2-6,16H,7-8H2,1H3,(H2,27,31)(H,30,32)/t16-,17-/m1/s1 DYQCALXAUPNZMM-IAGOWNOFSA-N 50280518 CHEMBL4167487 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145952957 104122222 ZINC13900741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989785 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OC(F)(F)C(F)(F)F)cn2)ccc1F InChI=1S/C19H14F9N5O3/c1-16(15(17(21,22)23)35-7-12(29)33-16)9-4-8(2-3-10(9)20)32-14(34)11-5-31-13(6-30-11)36-19(27,28)18(24,25)26/h2-6,15H,7H2,1H3,(H2,29,33)(H,32,34)/t15-,16-/m1/s1 NUPDMUKKVYYVHE-HZPDHXFCSA-N 50280519 CHEMBL4174699 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145952557 104122223 ZINC13776002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989786 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NC3CC3)cn2)ccc1F InChI=1S/C20H20F4N6O2/c1-19(18(20(22,23)24)32-9-15(25)30-19)12-6-11(4-5-13(12)21)29-17(31)14-7-27-16(8-26-14)28-10-2-3-10/h4-8,10,18H,2-3,9H2,1H3,(H2,25,30)(H,27,28)(H,29,31)/t18-,19-/m1/s1 PGWONOYPSIDCQI-RTBURBONSA-N 50280481 CHEMBL4171250 Beta-secretase 1 Homo sapiens 3020 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145951346 104122185 ZINC27657184 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989787 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)N2CCC2)ccc1F InChI=1S/C20H20F4N6O2/c1-19(18(20(22,23)24)32-10-15(25)29-19)12-7-11(3-4-13(12)21)28-17(31)14-8-27-16(9-26-14)30-5-2-6-30/h3-4,7-9,18H,2,5-6,10H2,1H3,(H2,25,29)(H,28,31)/t18-,19-/m1/s1 OQRSXZZTAADKFM-RTBURBONSA-N 50280449 CHEMBL4160644 Beta-secretase 1 Homo sapiens 457 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145957650 104122153 ZINC03799963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989788 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C34H40F2N4OS/c1-2-3-4-5-14-23-40(30-21-20-28(35)25-29(30)36)34(41)37-22-13-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39) AQNDICLLSTUPNE-UHFFFAOYSA-N 50280423 CHEMBL4165225 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280423&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127255875 104122127 ZINC36331467 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989789 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F InChI=1S/C18H14F3N5O2/c1-18(17(21)28-8-14(23)26-18)11-5-10(2-3-12(11)19)25-16(27)15-13(20)4-9(6-22)7-24-15/h2-5,7,17H,8H2,1H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1 PASVPQXUHXFXJX-ZWKOTPCHSA-N 50280452 CHEMBL4175845 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971201 104122156 ZINC14714904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989790 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17+/m0/s1 VDDPPIGLCDMNCU-DLBZAZTESA-N 50131799 CHEMBL3634125 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122195839 321903391 CHEMBL3634125 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989791 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F InChI=1S/C18H17F4N5O3/c1-17(16(18(20,21)22)30-8-13(23)27-17)10-5-9(3-4-11(10)19)26-15(28)12-6-25-14(29-2)7-24-12/h3-7,16H,8H2,1-2H3,(H2,23,27)(H,26,28)/t16-,17-/m1/s1 YWZJCVZZWKAFAZ-IAGOWNOFSA-N 50280462 CHEMBL4165629 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54761221 104122166 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989792 COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F InChI=1S/C20H21F4N5O4/c1-19(18(20(22,23)24)33-10-15(25)29-19)12-7-11(3-4-13(12)21)28-17(30)14-8-27-16(9-26-14)32-6-5-31-2/h3-4,7-9,18H,5-6,10H2,1-2H3,(H2,25,29)(H,28,30)/t18-,19-/m1/s1 AANLQBIDWIHDGD-RTBURBONSA-N 50280517 CHEMBL4159574 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145956622 104122221 ZINC27871817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989793 C[C@]1(COCC(N)=N1)c1cc(N\C=C\c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18FN5O/c1-19(12-26-11-18(22)25-19)16-8-15(4-5-17(16)20)23-7-6-14-3-2-13(9-21)10-24-14/h2-8,10,23H,11-12H2,1H3,(H2,22,25)/b7-6+/t19-/m0/s1 NVOFJZVDBJHVHB-GHOSXJJBSA-N 50280520 CHEMBL4175758 Beta-secretase 1 Homo sapiens 2344 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971440 104122224 ZINC13776004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989794 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1 KUEUDMYMTXDGEE-IAGOWNOFSA-N 50012669 CHEMBL3261072 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90656194 242058161 CHEMBL3261072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989795 C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2cncnc2)ccc1F InChI=1S/C16H16FN5O2/c1-16(8-24-7-14(18)22-16)12-4-11(2-3-13(12)17)21-15(23)10-5-19-9-20-6-10/h2-6,9H,7-8H2,1H3,(H2,18,22)(H,21,23)/t16-/m0/s1 YFTVSHJEIOBWOX-INIZCTEOSA-N 50280453 CHEMBL4167898 Beta-secretase 1 Homo sapiens 631 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955939 104122157 ZINC27524293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989796 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H14ClF2N5O2/c1-18(17(21)28-8-14(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,17H,8H2,1H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1 FIONNDWMDHTQML-ZWKOTPCHSA-N 50280525 CHEMBL4161795 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960187 104122229 ZINC02038241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989797 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)COC1=C(F)F InChI=1S/C18H16F3N5O3/c1-18(15(16(20)21)29-8-13(22)26-18)10-5-9(3-4-11(10)19)25-17(27)12-6-24-14(28-2)7-23-12/h3-7H,8H2,1-2H3,(H2,22,26)(H,25,27)/t18-/m1/s1 UQVVDBVREMLAII-GOSISDBHSA-N 50280404 CHEMBL4170106 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145955110 104122108 ZINC06524391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989798 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H16F7N5O3/c1-17(16(19(24,25)26)33-7-13(27)31-17)10-4-9(2-3-11(10)20)30-15(32)12-5-29-14(6-28-12)34-8-18(21,22)23/h2-6,16H,7-8H2,1H3,(H2,27,31)(H,30,32)/t16-,17-/m1/s1 DYQCALXAUPNZMM-IAGOWNOFSA-N 50280518 CHEMBL4167487 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145952957 104122222 ZINC13900741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989800 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OC(F)(F)C(F)(F)F)cn2)ccc1F InChI=1S/C19H14F9N5O3/c1-16(15(17(21,22)23)35-7-12(29)33-16)9-4-8(2-3-10(9)20)32-14(34)11-5-31-13(6-30-11)36-19(27,28)18(24,25)26/h2-6,15H,7H2,1H3,(H2,29,33)(H,32,34)/t15-,16-/m1/s1 NUPDMUKKVYYVHE-HZPDHXFCSA-N 50280519 CHEMBL4174699 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145952557 104122223 ZINC13776002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989801 C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F InChI=1S/C19H17F7N6O2/c1-17(16(19(24,25)26)34-7-13(27)32-17)10-4-9(2-3-11(10)20)31-15(33)12-5-29-14(6-28-12)30-8-18(21,22)23/h2-6,16H,7-8H2,1H3,(H2,27,32)(H,29,30)(H,31,33)/t16-,17-/m1/s1 JPVBNXPAEVLLBW-IAGOWNOFSA-N 50280468 CHEMBL4164046 Beta-secretase 1 Homo sapiens 4500 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960781 104122172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989802 C[C@]1(COCC(N)=N1)c1cc(N\C=C\c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18FN5O/c1-19(12-26-11-18(22)25-19)16-8-15(4-5-17(16)20)23-7-6-14-3-2-13(9-21)10-24-14/h2-8,10,23H,11-12H2,1H3,(H2,22,25)/b7-6+/t19-/m0/s1 NVOFJZVDBJHVHB-GHOSXJJBSA-N 50280520 CHEMBL4175758 Beta-secretase 1 Homo sapiens 251 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971440 104122224 ZINC13776004 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989803 C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ncccc2C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(10-26-9-15(21)24-18)13-7-12(4-5-14(13)19)23-17(25)16-11(8-20)3-2-6-22-16/h2-7H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 MUPYNNYQWKFHDL-SFHVURJKSA-N 50280472 CHEMBL4173236 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145949506 104122176 ZINC12504047 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50989810 C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H14ClF2N5O2/c1-18(17(21)28-8-14(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,17H,8H2,1H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1 FIONNDWMDHTQML-ZWKOTPCHSA-N 50280525 CHEMBL4161795 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.8b00304 10.7270/Q2J38W46 29809004 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Janssen Pharmaceutica NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145960187 104122229 ZINC02038241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50987553 Brc1ccc(NCc2cn(CCCN3C(=O)c4ccccc4C3=O)nn2)c(NC(=O)c2cc3ccccc3oc2=N)c1 InChI=1S/C30H24BrN7O4/c31-19-10-11-24(25(15-19)34-28(39)23-14-18-6-1-4-9-26(18)42-27(23)32)33-16-20-17-37(36-35-20)12-5-13-38-29(40)21-7-2-3-8-22(21)30(38)41/h1-4,6-11,14-15,17,32-33H,5,12-13,16H2,(H,34,39) NAISHGIHNSCIEB-UHFFFAOYSA-N 50279514 CHEMBL4167503 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1016/j.ejmech.2017.09.057 10.7270/Q2DJ5J45 29107423 Iraji, A; Firuzi, O; Khoshneviszadeh, M; Tavakkoli, M; Mahdavi, M; Nadri, H; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145953623 406793798 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50987555 Brc1ccc(NCc2cn(CCCCN3C(=O)c4ccccc4C3=O)nn2)c(NC(=O)c2cc3ccccc3oc2=N)c1 InChI=1S/C31H26BrN7O4/c32-20-11-12-25(26(16-20)35-29(40)24-15-19-7-1-4-10-27(19)43-28(24)33)34-17-21-18-38(37-36-21)13-5-6-14-39-30(41)22-8-2-3-9-23(22)31(39)42/h1-4,7-12,15-16,18,33-34H,5-6,13-14,17H2,(H,35,40) UZOQXZCCIUNLHD-UHFFFAOYSA-N 50279515 CHEMBL4160274 Beta-secretase 1 Homo sapiens 6800 ChEMBL 10.1016/j.ejmech.2017.09.057 10.7270/Q2DJ5J45 29107423 Iraji, A; Firuzi, O; Khoshneviszadeh, M; Tavakkoli, M; Mahdavi, M; Nadri, H; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145957885 406793799 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50987556 Clc1ccc(Cn2cc(CNc3ccc(Br)cc3NC(=O)c3cc4ccccc4oc3=N)nn2)cc1Cl InChI=1S/C26H19BrCl2N6O2/c27-17-6-8-22(31-12-18-14-35(34-33-18)13-15-5-7-20(28)21(29)9-15)23(11-17)32-26(36)19-10-16-3-1-2-4-24(16)37-25(19)30/h1-11,14,30-31H,12-13H2,(H,32,36) YJQUMCNRFCDDQJ-UHFFFAOYSA-N 50279516 CHEMBL4167095 Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.ejmech.2017.09.057 10.7270/Q2DJ5J45 29107423 Iraji, A; Firuzi, O; Khoshneviszadeh, M; Tavakkoli, M; Mahdavi, M; Nadri, H; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145954300 406793800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50987557 Brc1ccc(Cn2cc(CNc3ccc(Br)cc3NC(=O)c3cc4ccccc4oc3=N)nn2)cc1 InChI=1S/C26H20Br2N6O2/c27-18-7-5-16(6-8-18)14-34-15-20(32-33-34)13-30-22-10-9-19(28)12-23(22)31-26(35)21-11-17-3-1-2-4-24(17)36-25(21)29/h1-12,15,29-30H,13-14H2,(H,31,35) RQUNKORAOTTWOS-UHFFFAOYSA-N 50279521 CHEMBL4173515 Beta-secretase 1 Homo sapiens 6400 ChEMBL 10.1016/j.ejmech.2017.09.057 10.7270/Q2DJ5J45 29107423 Iraji, A; Firuzi, O; Khoshneviszadeh, M; Tavakkoli, M; Mahdavi, M; Nadri, H; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145950148 406793801 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50987559 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.ejmech.2017.09.057 10.7270/Q2DJ5J45 29107423 Iraji, A; Firuzi, O; Khoshneviszadeh, M; Tavakkoli, M; Mahdavi, M; Nadri, H; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50987561 Clc1cccc(Cn2cc(CNc3ccc(Br)cc3NC(=O)c3cc4ccccc4oc3=N)nn2)c1Cl InChI=1S/C26H19BrCl2N6O2/c27-17-8-9-21(31-12-18-14-35(34-33-18)13-16-5-3-6-20(28)24(16)29)22(11-17)32-26(36)19-10-15-4-1-2-7-23(15)37-25(19)30/h1-11,14,30-31H,12-13H2,(H,32,36) LXBLTQMMLRZVBE-UHFFFAOYSA-N 50279522 CHEMBL4159178 Beta-secretase 1 Homo sapiens 15600 ChEMBL 10.1016/j.ejmech.2017.09.057 10.7270/Q2DJ5J45 29107423 Iraji, A; Firuzi, O; Khoshneviszadeh, M; Tavakkoli, M; Mahdavi, M; Nadri, H; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145959085 406793802 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51095934 Cc1c(O)cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c1O InChI=1S/C17H12O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,17-20,22H,1H3 NCWLTPKGFNPAMP-UHFFFAOYSA-N 50321308 Boeravinone E Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1021/acs.jnatprod.7b00826 10.7270/Q27S7RBZ 29762033 Lee, W; Lee, D; Lee, Y; Lee, T; Song, KS; Yang, EJ; Bae, JS Kyungpook National University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11537197 104142837 ZINC53296263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120675 COC(=O)[C@@H]1[C@@]2(C)CC(=O)[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2CC(=C)[C@@]1(C)C(=O)[C@](C)(O)C(=O)OC InChI=1S/C27H38O8/c1-14-12-16-24(4)11-10-17(29)23(2,3)18(24)15(28)13-25(16,5)19(20(30)34-8)26(14,6)21(31)27(7,33)22(32)35-9/h16,18-19,33H,1,10-13H2,2-9H3/t16-,18+,19+,24-,25-,26+,27-/m0/s1 SRZXYFCAKRTTNY-JJAZPSFLSA-N 50459481 CHEMBL4204943 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459481&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590118 433926746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120676 COC(=O)[C@@H]1[C@@]2(C)[C@H](O)C(=O)[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC(=C)[C@@]1(C)C(=O)[C@](C)(O)C(=O)OC InChI=1S/C27H40O9/c1-13-12-14-24(4)11-10-15(28)23(2,3)17(24)16(29)19(30)26(14,6)18(20(31)35-8)25(13,5)21(32)27(7,34)22(33)36-9/h14-15,17-19,28,30,34H,1,10-12H2,2-9H3/t14-,15+,17+,18-,19+,24-,25+,26-,27-/m0/s1 IIUYCUAFSQXIAZ-XNCNABBASA-N 50459482 CHEMBL4218151 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590116 433926747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120677 COC(=O)[C@@]1(C)OC(=O)[C@H]2[C@@](C)(C(=C)C[C@@]3(O)[C@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@]23C)C1=O InChI=1S/C26H32O9/c1-12-11-26(33)22(4)10-9-13(27)21(2,3)15(22)14(28)17(29)24(26,6)16-18(30)35-25(7,20(32)34-8)19(31)23(12,16)5/h16,28,33H,1,9-11H2,2-8H3/t16-,22+,23+,24-,25-,26+/m0/s1 CYHGEJACRPDZDP-RSQIKLETSA-N 50459483 CHEMBL4208768 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 109374149 433926748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120678 C[C@@H]1OC(=O)[C@@H]2[C@@]3(C)[C@H](O)C(=O)[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC(=C)[C@@]2(C)C1=O InChI=1S/C24H32O6/c1-11-10-13-22(5)9-8-14(25)21(3,4)16(22)15(26)19(28)24(13,7)17-20(29)30-12(2)18(27)23(11,17)6/h12-13,16-17,19,28H,1,8-10H2,2-7H3/t12-,13-,16-,17-,19+,22-,23+,24-/m0/s1 OJCUHOMXXINHDN-ZKRXJUSPSA-N 50459484 CHEMBL4216181 Beta-secretase 1 Homo sapiens 5850 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590113 433926749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120679 C[C@@H]1OC(=O)[C@@H]2[C@@]3(C)[C@H](O)C(=O)[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC(=C)[C@@]2(C)C1=O InChI=1S/C24H32O6/c1-11-10-13-22(5)9-8-14(25)21(3,4)16(22)15(26)19(28)24(13,7)17-20(29)30-12(2)18(27)23(11,17)6/h12-13,16-17,19,28H,1,8-10H2,2-7H3/t12-,13-,16+,17-,19+,22-,23+,24-/m0/s1 OJCUHOMXXINHDN-HSPKRFAFSA-N 50459485 CHEMBL4218091 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129011631 433926750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120680 COC(=O)[C@@]1(C)OC(=O)[C@H]2[C@@](C)(C(=C)[C@@H]3O[C@@]33[C@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@]23C)C1=O InChI=1S/C26H30O9/c1-11-17-26(34-17)22(4)10-9-12(27)21(2,3)14(22)13(28)16(29)24(26,6)15-18(30)35-25(7,20(32)33-8)19(31)23(11,15)5/h15,17,28H,1,9-10H2,2-8H3/t15-,17-,22+,23+,24-,25-,26+/m0/s1 TUFJOFANNIXESE-QPEYRODOSA-N 50459486 CHEMBL4211731 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590111 433926751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120681 COC(=O)[C@@]1(C)OC(=O)[C@@H]2[C@@]3(C)[C@H](O)C(=O)[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC(=C)[C@@]2(C)C1=O InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16-,17-,18+,23-,24+,25-,26-/m0/s1 VOCWMGRIYMFSCC-FQDVDLAHSA-N 50459487 CHEMBL4211219 Beta-secretase 1 Homo sapiens 3320 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590112 433926752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120682 CCOC(=O)[C@@]1(C)OC(=O)[C@@H]2[C@@]3(C)[C@H](O)C(=O)[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC(=C)[C@@]2(C)C1=O InChI=1S/C27H36O8/c1-9-34-22(33)27(8)21(32)25(6)13(2)12-14-24(5)11-10-15(28)23(3,4)17(24)16(29)19(30)26(14,7)18(25)20(31)35-27/h14,17-19,30H,2,9-12H2,1,3-8H3/t14-,17+,18-,19+,24-,25+,26-,27-/m0/s1 OTOPJMIRVXJOPK-DIEBFMLZSA-N 50459488 CHEMBL4203972 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590115 433926753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120683 COC(=O)[C@@H]1[C@@]2(C)[C@H](O)C(=O)[C@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2CC(=C)[C@@]1(C)C(=O)[C@](C)(O)C(=O)OC InChI=1S/C27H38O9/c1-13-12-14-24(4)11-10-15(28)23(2,3)17(24)16(29)19(30)26(14,6)18(20(31)35-8)25(13,5)21(32)27(7,34)22(33)36-9/h14,17-19,30,34H,1,10-12H2,2-9H3/t14-,17-,18-,19+,24-,25+,26-,27-/m0/s1 QKXFADNZXOBAQQ-KVFBYCLNSA-N 50459489 CHEMBL4206426 Beta-secretase 1 Homo sapiens 31680 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590117 433926754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120684 COC(=O)[C@@H]1[C@]2(C)[C@@H](CC(=C)[C@@]1(C)C(=O)[C@](C)(O)C(=O)OC)[C@]1(C)CCC(=O)C(C)(C)C1=C(O)C2=O InChI=1S/C27H36O9/c1-13-12-14-24(4)11-10-15(28)23(2,3)17(24)16(29)19(30)26(14,6)18(20(31)35-8)25(13,5)21(32)27(7,34)22(33)36-9/h14,18,29,34H,1,10-12H2,2-9H3/t14-,18-,24-,25+,26-,27-/m0/s1 KLBQENYQBDKIGM-HLPFSFFKSA-N 50459490 CHEMBL4216625 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590119 433926755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120685 COC(=O)[C@@]1(C)OC(=O)[C@@H]2[C@@]3(C)[C@H](O)C(=O)[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC(=C)[C@@]2(C)C1=O InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1 VOCWMGRIYMFSCC-MVORVNTJSA-N 50459491 CHEMBL4204435 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7MI 5WQG 129011640 433926756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120686 COC(=O)[C@@]1(C)OC(=O)[C@@H]2[C@]3(C)[C@@H](CC(=C)[C@@]2(C)C1=O)[C@]1(C)CCC(=O)C(C)(C)C1=C(O)C3=O InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3/t13-,17-,23-,24+,25-,26-/m0/s1 GTEJJXOFLPCZGJ-DJFMQIRFSA-N 50459492 CHEMBL4213706 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965821 433926757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120687 COC(=O)[C@@]12C(=O)[C@@](C)(O)C(=O)[C@]1(C)C(=C)C[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]21C InChI=1S/C26H36O6/c1-14-13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-23(16,5)26(20(30)32-8)19(29)25(7,31)18(28)24(14,26)6/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23+,24+,25+,26-/m1/s1 YFLYHTKEBQQZOC-JXKNLEPBSA-N 50459493 CHEMBL4205875 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459493&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145975161 433926758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120688 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 620 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120689 COC(=O)[C@@]1(C)OC(=O)[C@H]2[C@@]3(C)[C@H](O)C(=O)[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC(=C)[C@@]2(C)C1=O InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17+,18+,23-,24+,25-,26-/m0/s1 VOCWMGRIYMFSCC-IVJJYCIESA-N 50459494 CHEMBL4215650 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459494&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590114 433926759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120690 COC(=O)[C@@]12C(=O)[C@H](C)OC(=O)[C@]1(C)C(=C)C[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)C[C@]21C InChI=1S/C26H34O7/c1-13-11-16-23(5)10-9-17(28)22(3,4)18(23)15(27)12-24(16,6)26(21(31)32-8)19(29)14(2)33-20(30)25(13,26)7/h14,16,18H,1,9-12H2,2-8H3/t14-,16-,18+,23-,24-,25-,26+/m0/s1 LQQAQOUQLWJDIL-ZHZKRVOISA-N 50459495 CHEMBL4209304 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139590110 433926760 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51120691 COC(=O)[C@@H]1[C@@]2(C)[C@H](O)C(=O)[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2CC(=C)[C@@]1(C)C(=O)[C@](C)(O)C(=O)OC InChI=1S/C27H38O9/c1-13-12-14-24(4)11-10-15(28)23(2,3)17(24)16(29)19(30)26(14,6)18(20(31)35-8)25(13,5)21(32)27(7,34)22(33)36-9/h14,17-19,30,34H,1,10-12H2,2-9H3/t14-,17+,18-,19+,24-,25+,26-,27-/m0/s1 QKXFADNZXOBAQQ-DIEBFMLZSA-N 50459496 CHEMBL4213164 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.1021/acs.jnatprod.7b01050 10.7270/Q2R78HV9 30207465 Qi, C; Liu, M; Zhou, Q; Gao, W; Chen, C; Lai, Y; Hu, Z; Xue, Y; Zhang, J; Li, D; Li, XN; Zhang, Q; Wang, J; Zhu, H; Zhang, Y Huazhong University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50459496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50459496&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145964643 433926761 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116742 O=C1N(CCCOc2ccc(cc2)-c2nc3ccccn3c2NC2CCCCC2)C(=O)c2ccccc12 InChI=1S/C30H30N4O3/c35-29-24-11-4-5-12-25(24)30(36)34(29)19-8-20-37-23-16-14-21(15-17-23)27-28(31-22-9-2-1-3-10-22)33-18-7-6-13-26(33)32-27/h4-7,11-18,22,31H,1-3,8-10,19-20H2 DIUNUCMXDITTTQ-UHFFFAOYSA-N 50456667 CHEMBL4206562 Beta-secretase 1 Homo sapiens 105 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456667&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145975664 433923934 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116743 COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Br)cn2c1NC(C)(C)C InChI=1S/C29H29BrN4O4/c1-29(2,3)32-26-25(31-24-13-11-19(30)17-34(24)26)18-10-12-22(23(16-18)37-4)38-15-7-14-33-27(35)20-8-5-6-9-21(20)28(33)36/h5-6,8-13,16-17,32H,7,14-15H2,1-4H3 JAYGBOWICFYTPB-UHFFFAOYSA-N 50456668 CHEMBL4204959 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456668&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977083 433923935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116744 Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-9-7-14-27-33-28(29(35(21)27)32-23-10-3-2-4-11-23)22-15-17-24(18-16-22)38-20-8-19-34-30(36)25-12-5-6-13-26(25)31(34)37/h5-7,9,12-18,23,32H,2-4,8,10-11,19-20H2,1H3 JOLPXSKHAOPNGG-UHFFFAOYSA-N 50456669 CHEMBL4203158 Beta-secretase 1 Homo sapiens 5930 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977509 433923936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116745 Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-12-17-27-33-28(29(35(27)20-21)32-23-8-3-2-4-9-23)22-13-15-24(16-14-22)38-19-7-18-34-30(36)25-10-5-6-11-26(25)31(34)37/h5-6,10-17,20,23,32H,2-4,7-9,18-19H2,1H3 DYZAVWUONBQKCB-UHFFFAOYSA-N 50456670 CHEMBL4210406 Beta-secretase 1 Homo sapiens 29420 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145964995 433923937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116746 Cc1ccn2c(NC3CCCCC3)c(nc2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-16-18-34-27(20-21)33-28(29(34)32-23-8-3-2-4-9-23)22-12-14-24(15-13-22)38-19-7-17-35-30(36)25-10-5-6-11-26(25)31(35)37/h5-6,10-16,18,20,23,32H,2-4,7-9,17,19H2,1H3 CPKUUCBGSVSQHH-UHFFFAOYSA-N 50456671 CHEMBL4215348 Beta-secretase 1 Homo sapiens 2840 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974623 433923938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116747 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116748 Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-9-7-14-27-33-28(29(35(21)27)32-23-10-3-2-4-11-23)22-15-17-24(18-16-22)38-20-8-19-34-30(36)25-12-5-6-13-26(25)31(34)37/h5-7,9,12-18,23,32H,2-4,8,10-11,19-20H2,1H3 JOLPXSKHAOPNGG-UHFFFAOYSA-N 50456669 CHEMBL4203158 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456669&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977509 433923936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116749 Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-12-17-27-33-28(29(35(27)20-21)32-23-8-3-2-4-9-23)22-13-15-24(16-14-22)38-19-7-18-34-30(36)25-10-5-6-11-26(25)31(34)37/h5-6,10-17,20,23,32H,2-4,7-9,18-19H2,1H3 DYZAVWUONBQKCB-UHFFFAOYSA-N 50456670 CHEMBL4210406 Beta-secretase 1 Homo sapiens 2.7 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145964995 433923937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116750 Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-9-7-18-34-28(21)33-27(29(34)32-23-10-3-2-4-11-23)22-14-16-24(17-15-22)38-20-8-19-35-30(36)25-12-5-6-13-26(25)31(35)37/h5-7,9,12-18,23,32H,2-4,8,10-11,19-20H2,1H3 WRCJCRPHSOQAEZ-UHFFFAOYSA-N 50456672 CHEMBL4211862 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145967185 433923939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116751 Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C30H29ClN4O3/c31-21-13-16-26-33-27(28(35(26)19-21)32-22-7-2-1-3-8-22)20-11-14-23(15-12-20)38-18-6-17-34-29(36)24-9-4-5-10-25(24)30(34)37/h4-5,9-16,19,22,32H,1-3,6-8,17-18H2 BQTDOIWKMBWQSQ-UHFFFAOYSA-N 50456673 CHEMBL4213285 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965575 433923940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116752 CC(C)(C)Nc1c(nc2ccc(Cl)cn12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C28H27ClN4O3/c1-28(2,3)31-25-24(30-23-14-11-19(29)17-33(23)25)18-9-12-20(13-10-18)36-16-6-15-32-26(34)21-7-4-5-8-22(21)27(32)35/h4-5,7-14,17,31H,6,15-16H2,1-3H3 OBYIMGFCIDWTAS-UHFFFAOYSA-N 50456674 CHEMBL4217695 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145973792 433923941 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116753 COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Cl)cn2c1NC(C)(C)C InChI=1S/C29H29ClN4O4/c1-29(2,3)32-26-25(31-24-13-11-19(30)17-34(24)26)18-10-12-22(23(16-18)37-4)38-15-7-14-33-27(35)20-8-5-6-9-21(20)28(33)36/h5-6,8-13,16-17,32H,7,14-15H2,1-4H3 OXSVJHPVPHVOFH-UHFFFAOYSA-N 50456675 CHEMBL4212743 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965555 433923942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116754 COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Br)cn2c1NC1CCCCC1 InChI=1S/C31H31BrN4O4/c1-39-26-18-20(28-29(33-22-8-3-2-4-9-22)36-19-21(32)13-15-27(36)34-28)12-14-25(26)40-17-7-16-35-30(37)23-10-5-6-11-24(23)31(35)38/h5-6,10-15,18-19,22,33H,2-4,7-9,16-17H2,1H3 DSBGDVLIELEKOH-UHFFFAOYSA-N 50456676 CHEMBL4217172 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974484 433923943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116755 COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccccn2c1NC1CCCCC1 InChI=1S/C31H32N4O4/c1-38-26-20-21(28-29(32-22-10-3-2-4-11-22)34-17-8-7-14-27(34)33-28)15-16-25(26)39-19-9-18-35-30(36)23-12-5-6-13-24(23)31(35)37/h5-8,12-17,20,22,32H,2-4,9-11,18-19H2,1H3 NNUHLQLANVYROQ-UHFFFAOYSA-N 50456677 CHEMBL4214810 Beta-secretase 1 Homo sapiens 2.8 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971568 433923944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116756 Brc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C30H29BrN4O3/c31-21-13-16-26-33-27(28(35(26)19-21)32-22-7-2-1-3-8-22)20-11-14-23(15-12-20)38-18-6-17-34-29(36)24-9-4-5-10-25(24)30(34)37/h4-5,9-16,19,22,32H,1-3,6-8,17-18H2 PBXJJOYBSKEJPC-UHFFFAOYSA-N 50456678 CHEMBL4205452 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976856 433923945 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116757 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116758 Cc1ccn2c(NC(C)(C)C)c(nc2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C29H30N4O3/c1-19-14-16-32-24(18-19)30-25(26(32)31-29(2,3)4)20-10-12-21(13-11-20)36-17-7-15-33-27(34)22-8-5-6-9-23(22)28(33)35/h5-6,8-14,16,18,31H,7,15,17H2,1-4H3 BBTGVNUNXWXFLO-UHFFFAOYSA-N 50456679 CHEMBL4206975 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976179 433923946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116759 COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Cl)cn2c1NC1CCCCC1 InChI=1S/C31H31ClN4O4/c1-39-26-18-20(28-29(33-22-8-3-2-4-9-22)36-19-21(32)13-15-27(36)34-28)12-14-25(26)40-17-7-16-35-30(37)23-10-5-6-11-24(23)31(35)38/h5-6,10-15,18-19,22,33H,2-4,7-9,16-17H2,1H3 JESQIAFLRIJREG-UHFFFAOYSA-N 50456680 CHEMBL4208354 Beta-secretase 1 Homo sapiens 14900 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976222 433923947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116760 Cc1ccn2c(NC3CCCCC3)c(nc2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C31H32N4O3/c1-21-16-18-34-27(20-21)33-28(29(34)32-23-8-3-2-4-9-23)22-12-14-24(15-13-22)38-19-7-17-35-30(36)25-10-5-6-11-26(25)31(35)37/h5-6,10-16,18,20,23,32H,2-4,7-9,17,19H2,1H3 CPKUUCBGSVSQHH-UHFFFAOYSA-N 50456671 CHEMBL4215348 Beta-secretase 1 Homo sapiens 4.4 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974623 433923938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116761 COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Cl)cn2c1NC1CCCCC1 InChI=1S/C31H31ClN4O4/c1-39-26-18-20(28-29(33-22-8-3-2-4-9-22)36-19-21(32)13-15-27(36)34-28)12-14-25(26)40-17-7-16-35-30(37)23-10-5-6-11-24(23)31(35)38/h5-6,10-15,18-19,22,33H,2-4,7-9,16-17H2,1H3 JESQIAFLRIJREG-UHFFFAOYSA-N 50456680 CHEMBL4208354 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976222 433923947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116762 CC(C)(C)Nc1c(nc2ccc(Br)cn12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 InChI=1S/C28H27BrN4O3/c1-28(2,3)31-25-24(30-23-14-11-19(29)17-33(23)25)18-9-12-20(13-10-18)36-16-6-15-32-26(34)21-7-4-5-8-22(21)27(32)35/h4-5,7-14,17,31H,6,15-16H2,1-3H3 HDONDFSDNAMWJF-UHFFFAOYSA-N 50456681 CHEMBL4209831 Beta-secretase 1 Homo sapiens 209 ChEMBL 10.1016/j.ejmech.2017.06.040 10.7270/Q2NC63S4 28728105 Azimi, S; Zonouzi, A; Firuzi, O; Iraji, A; Saeedi, M; Mahdavi, M; Edraki, N University of Tehran http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145966611 433923948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51116783 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 8960 (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one::2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one::Aricept::Aricept odt::CHEMBL1678::CHEMBL2337271::CHEMBL502::DONEPEZIL HYDROCHLORIDE::Donepezil::Donepzil::E2020::US8999994, Donepezil::US9346818, DPH::US9586925, Donepezil::US9663465, Donepezil Beta-secretase 1 Homo sapiens 169 ChEMBL 10.1016/j.ejmech.2017.07.006 10.7270/Q2HM5C2T 28728106 Zhao, XJ; Gong, DM; Jiang, YR; Guo, D; Zhu, Y; Deng, YC Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E20 1EVE,4EY7,7E3H,6O4W 3152 46509735 53289 CHEMBL502CHEMBL1678CHEMBL2337271 DB00843 6599 ZINC00897251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51118966 NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1 MRXBCEQZNKUUIP-DEOSSOPVSA-N 50398264 CHEMBL2177913 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.8b00180 10.7270/Q2DJ5J62 29620890 Young, RJ; Leeson, PD GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 32D 4B05 46202416 163347288 CHEMBL2177913 ZINC68205977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113831 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m0/s1 LUOFRFUNXXGHFC-UCMVZMLTSA-N 171819 US9085576, 320 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EJ7 6C2I 90411858 312528470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113832 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m1/s1 LUOFRFUNXXGHFC-VZSAFFHGSA-N 171690 US9085576, 319 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412858 312528350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113833 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18-/m1/s1 LUOFRFUNXXGHFC-CDNVCLAFSA-N 171817 US9085576, 2b-A Beta-secretase 1 Homo sapiens 370 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412860 312528469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113834 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18-/m0/s1 LUOFRFUNXXGHFC-FVMIAERFSA-N 171816 US9085576, 2b-B::US9085576, 2b-rac Beta-secretase 1 Homo sapiens 41000 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90411856 312528468 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113835 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H]2C[C@@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18-/m1/s1 LUOFRFUNXXGHFC-CDNVCLAFSA-N 171817 US9085576, 2b-A Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90412860 312528469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113836 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m0/s1 LUOFRFUNXXGHFC-UCMVZMLTSA-N 171819 US9085576, 320 Beta-secretase 1 Homo sapiens 81 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EJ7 6C2I 90411858 312528470 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113837 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCOC(N)=N1 InChI=1S/C17H18FN5O3/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 RSGRPJAQVUZAJL-KRWDZBQOSA-N 153630 US8999980, I-10 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71502737 253650749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51113838 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCOC(N)=N1 InChI=1S/C17H18FN5O3/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 RSGRPJAQVUZAJL-KRWDZBQOSA-N 153630 US8999980, I-10 Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2018.01.056 10.7270/Q2QN69CM 29426770 Low, JD; Bartberger, MD; Cheng, Y; Whittington, D; Xue, Q; Wood, S; Allen, JR; Minatti, AE Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71502737 253650749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119376 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119377 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(CF)n2)ccc1F InChI=1S/C17H15F3N4O3/c1-17(5-10(6-18)27-16(21)24-17)11-4-9(2-3-12(11)20)22-15(25)13-8-26-14(7-19)23-13/h2-5,8H,6-7H2,1H3,(H2,21,24)(H,22,25)/t17-/m0/s1 IJYGDLPFIPYGRW-KRWDZBQOSA-N 50457587 CHEMBL4207430 Beta-secretase 1 Homo sapiens 5.8 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974871 433924852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119384 CC1=COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2/c1-11-10-27-18(22)25-19(11,2)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(8-21)9-23-16/h3-7,9-10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 FCIHJZOGSZYLII-IBGZPJMESA-N 50457589 CHEMBL4205130 Beta-secretase 1 Homo sapiens 408 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976106 433924854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119385 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-8,10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LLUIVDBCIQNSNG-IBGZPJMESA-N 153632 US8999980, I-54 Beta-secretase 1 Homo sapiens 66 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252201 253650751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119386 COCC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18FN5O3/c1-20(8-14(11-28-2)29-19(23)26-20)15-7-13(4-5-16(15)21)25-18(27)17-6-3-12(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1 PBAGMXJDUUVRJA-FQEVSTJZSA-N 50457590 CHEMBL4217881 Beta-secretase 1 Homo sapiens 74 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71466346 433924855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119387 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N InChI=1S/C20H16F3N5O2/c1-10-5-11(8-24)9-26-16(10)18(29)27-12-3-4-14(21)13(6-12)20(2)7-15(17(22)23)30-19(25)28-20/h3-7,9,17H,1-2H3,(H2,25,28)(H,27,29)/t20-/m0/s1 DSZGYBZHOVZDKX-FQEVSTJZSA-N 50457591 CHEMBL4216412 Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457591 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119388 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N InChI=1S/C20H17F2N5O2/c1-11-5-12(9-23)10-25-17(11)18(28)26-13-3-4-16(22)15(6-13)20(2)7-14(8-21)29-19(24)27-20/h3-7,10H,8H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1 JJMGWWLDRBWVOL-FQEVSTJZSA-N 50457592 CHEMBL4204742 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974892 433924857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119389 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 InChI=1S/C18H17F2N5O3/c1-18(6-11(7-19)28-17(21)25-18)12-5-10(3-4-13(12)20)24-16(26)14-8-23-15(27-2)9-22-14/h3-6,8-9H,7H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1 SPJCTRRFHZHVDF-SFHVURJKSA-N 50457593 CHEMBL4203599 Beta-secretase 1 Homo sapiens 241 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974906 433924858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119390 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H15F4N5O2/c1-18(5-10(6-19)29-17(23)27-18)11-4-9(2-3-12(11)20)26-16(28)14-8-24-13(7-25-14)15(21)22/h2-5,7-8,15H,6H2,1H3,(H2,23,27)(H,26,28)/t18-/m0/s1 YOCCHFJQUBFRGO-SFHVURJKSA-N 50457594 CHEMBL4215276 Beta-secretase 1 Homo sapiens 313 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974886 433924859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119391 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(OCF)nc2N)ccc1F InChI=1S/C18H17F3N6O3/c1-18(5-10(6-19)30-17(23)27-18)11-4-9(2-3-12(11)21)25-16(28)14-15(22)26-13(7-24-14)29-8-20/h2-5,7H,6,8H2,1H3,(H2,22,26)(H2,23,27)(H,25,28)/t18-/m0/s1 AZIJTOLXZWPJMO-SFHVURJKSA-N 50457595 CHEMBL4211790 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89976659 433924860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119392 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(CF)n2)ccc1F InChI=1S/C17H15F3N4O3/c1-17(5-10(6-18)27-16(21)24-17)11-4-9(2-3-12(11)20)22-15(25)13-8-26-14(7-19)23-13/h2-5,8H,6-7H2,1H3,(H2,21,24)(H,22,25)/t17-/m0/s1 IJYGDLPFIPYGRW-KRWDZBQOSA-N 50457587 CHEMBL4207430 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974871 433924852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119393 C[C@]1(C=COC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VHDJWZVMMKIYKN-SFHVURJKSA-N 50457596 CHEMBL4205656 Beta-secretase 1 Homo sapiens 7.9 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71466347 433924861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119394 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 ORHZQSYKGHHDOP-IBGZPJMESA-N 50457586 CHEMBL4213486 Beta-secretase 1 Homo sapiens 3.6 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B6 5YGY 71466345 433924851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119395 NC1=N[C@](C=C(CF)O1)(C1CC1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F2N5O2/c22-9-15-8-21(13-2-3-13,28-20(25)30-15)16-7-14(4-5-17(16)23)27-19(29)18-6-1-12(10-24)11-26-18/h1,4-8,11,13H,2-3,9H2,(H2,25,28)(H,27,29)/t21-/m1/s1 VKWQNQRJHNZEHZ-OAQYLSRUSA-N 50457597 CHEMBL4212939 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78319722 433924862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119396 COCC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H18FN5O3/c1-20(8-14(11-28-2)29-19(23)26-20)15-7-13(4-5-16(15)21)25-18(27)17-6-3-12(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1 PBAGMXJDUUVRJA-FQEVSTJZSA-N 50457590 CHEMBL4217881 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457590 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119397 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N InChI=1S/C20H17F2N5O2/c1-11-5-12(9-23)10-25-17(11)18(28)26-13-3-4-16(22)15(6-13)20(2)7-14(8-21)29-19(24)27-20/h3-7,10H,8H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1 JJMGWWLDRBWVOL-FQEVSTJZSA-N 50457592 CHEMBL4204742 Beta-secretase 1 Homo sapiens 8.4 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974892 433924857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119398 COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N InChI=1S/C20H17F2N5O3/c1-20(7-13(8-21)30-19(24)27-20)14-6-12(3-4-15(14)22)26-18(28)17-16(29-2)5-11(9-23)10-25-17/h3-7,10H,8H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1 BFVXGVDFXLOOLI-FQEVSTJZSA-N 50457598 CHEMBL4203079 Beta-secretase 1 Homo sapiens 56 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974894 433924863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119399 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 InChI=1S/C18H17F2N5O3/c1-18(6-11(7-19)28-17(21)25-18)12-5-10(3-4-13(12)20)24-16(26)14-8-23-15(27-2)9-22-14/h3-6,8-9H,7H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1 SPJCTRRFHZHVDF-SFHVURJKSA-N 50457593 CHEMBL4203599 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974906 433924858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119400 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C17H14F4N4O3/c1-17(5-9(6-18)28-16(22)25-17)10-4-8(2-3-11(10)19)23-14(26)12-7-27-15(24-12)13(20)21/h2-5,7,13H,6H2,1H3,(H2,22,25)(H,23,26)/t17-/m0/s1 SCMVSVKVGVGMJP-KRWDZBQOSA-N 50457599 CHEMBL4212335 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974884 433924864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119401 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 0.840000 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119402 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H16F3N5O3/c1-18(5-11(6-19)29-17(22)26-18)12-4-10(2-3-13(12)21)25-16(27)14-7-24-15(8-23-14)28-9-20/h2-5,7-8H,6,9H2,1H3,(H2,22,26)(H,25,27)/t18-/m0/s1 RIZAKNLPEQHQEV-SFHVURJKSA-N 50457600 CHEMBL4216758 Beta-secretase 1 Homo sapiens 139 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974885 433924865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119403 CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-8,10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 LLUIVDBCIQNSNG-IBGZPJMESA-N 153632 US8999980, I-54 Beta-secretase 1 Homo sapiens 4.4 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=153632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252201 253650751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119404 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c1-19(6-12(7-21)29-18(24)27-19)13-5-11(2-3-15(13)22)26-17(28)16-14(20)4-10(8-23)9-25-16/h2-6,9H,7H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 IVXNPNJKLCMFDG-IBGZPJMESA-N 50457601 CHEMBL4207962 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974905 433924866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119405 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 118 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119406 C[C@]1(C=COC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VHDJWZVMMKIYKN-SFHVURJKSA-N 50457596 CHEMBL4205656 Beta-secretase 1 Homo sapiens 218 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71466347 433924861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119407 COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N InChI=1S/C20H17F2N5O3/c1-20(7-13(8-21)30-19(24)27-20)14-6-12(3-4-15(14)22)26-18(28)17-16(29-2)5-11(9-23)10-25-17/h3-7,10H,8H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1 BFVXGVDFXLOOLI-FQEVSTJZSA-N 50457598 CHEMBL4203079 Beta-secretase 1 Homo sapiens 238 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974894 433924863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119408 CC1=C[C@](CF)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c1-11-7-19(10-20,26-18(23)28-11)14-6-13(3-4-15(14)21)25-17(27)16-5-2-12(8-22)9-24-16/h2-7,9H,10H2,1H3,(H2,23,26)(H,25,27)/t19-/m1/s1 DBVVGCITZAIBBQ-LJQANCHMSA-N 50457588 CHEMBL4208552 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78319724 433924853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119409 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H16F3N5O3/c1-18(5-11(6-19)29-17(22)26-18)12-4-10(2-3-13(12)21)25-16(27)14-7-24-15(8-23-14)28-9-20/h2-5,7-8H,6,9H2,1H3,(H2,22,26)(H,25,27)/t18-/m0/s1 RIZAKNLPEQHQEV-SFHVURJKSA-N 50457600 CHEMBL4216758 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974885 433924865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119410 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(OCF)nc2N)ccc1F InChI=1S/C18H17F3N6O3/c1-18(5-10(6-19)30-17(23)27-18)11-4-9(2-3-12(11)21)25-16(28)14-15(22)26-13(7-24-14)29-8-20/h2-5,7H,6,8H2,1H3,(H2,22,26)(H2,23,27)(H,25,28)/t18-/m0/s1 AZIJTOLXZWPJMO-SFHVURJKSA-N 50457595 CHEMBL4211790 Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89976659 433924860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119413 NC1=N[C@](C=C(CF)O1)(C1CC1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F2N5O2/c22-9-15-8-21(13-2-3-13,28-20(25)30-15)16-7-14(4-5-17(16)23)27-19(29)18-6-1-12(10-24)11-26-18/h1,4-8,11,13H,2-3,9H2,(H2,25,28)(H,27,29)/t21-/m1/s1 VKWQNQRJHNZEHZ-OAQYLSRUSA-N 50457597 CHEMBL4212939 Beta-secretase 1 Homo sapiens 329 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78319722 433924862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119414 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 6.7 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119415 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 ORHZQSYKGHHDOP-IBGZPJMESA-N 50457586 CHEMBL4213486 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B6 5YGY 71466345 433924851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119416 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c1-19(6-12(7-21)29-18(24)27-19)13-5-11(2-3-15(13)22)26-17(28)16-14(20)4-10(8-23)9-25-16/h2-6,9H,7H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 IVXNPNJKLCMFDG-IBGZPJMESA-N 50457601 CHEMBL4207962 Beta-secretase 1 Homo sapiens 95 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974905 433924866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119417 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C17H14F4N4O3/c1-17(5-9(6-18)28-16(22)25-17)10-4-8(2-3-11(10)19)23-14(26)12-7-27-15(24-12)13(20)21/h2-5,7,13H,6H2,1H3,(H2,22,25)(H,23,26)/t17-/m0/s1 SCMVSVKVGVGMJP-KRWDZBQOSA-N 50457599 CHEMBL4212335 Beta-secretase 1 Homo sapiens 94 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974884 433924864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119418 CC1=COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5O2/c1-11-10-27-18(22)25-19(11,2)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(8-21)9-23-16/h3-7,9-10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 FCIHJZOGSZYLII-IBGZPJMESA-N 50457589 CHEMBL4205130 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457589&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976106 433924854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119419 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N InChI=1S/C20H16F3N5O2/c1-10-5-11(8-24)9-26-16(10)18(29)27-12-3-4-14(21)13(6-12)20(2)7-15(17(22)23)30-19(25)28-20/h3-7,9,17H,1-2H3,(H2,25,28)(H,27,29)/t20-/m0/s1 DSZGYBZHOVZDKX-FQEVSTJZSA-N 50457591 CHEMBL4216412 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89976592 433924856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119420 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H15F4N5O2/c1-18(5-10(6-19)29-17(23)27-18)11-4-9(2-3-12(11)20)26-16(28)14-8-24-13(7-25-14)15(21)22/h2-5,7-8,15H,6H2,1H3,(H2,23,27)(H,26,28)/t18-/m0/s1 YOCCHFJQUBFRGO-SFHVURJKSA-N 50457594 CHEMBL4215276 Beta-secretase 1 Homo sapiens 72 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974886 433924859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51119421 CC1=C[C@](CF)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c1-11-7-19(10-20,26-18(23)28-11)14-6-13(3-4-15(14)21)25-17(27)16-5-2-12(8-22)9-24-16/h2-7,9H,10H2,1H3,(H2,23,26)(H,25,27)/t19-/m1/s1 DBVVGCITZAIBBQ-LJQANCHMSA-N 50457588 CHEMBL4208552 Beta-secretase 1 Homo sapiens 103 ChEMBL 10.1021/acs.jmedchem.8b00002 10.7270/Q27W6FSQ 29733614 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78319724 433924853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51101702 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.ejmech.2018.05.031 10.7270/Q2765HWM 29857276 Ghobadian, R; Mahdavi, M; Nadri, H; Moradi, A; Edraki, N; Akbarzadeh, T; Sharifzadeh, M; Bukhari, SNA; Amini, M Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103931 Clc1ccc2c(NCCNC(=O)c3cnccn3)ccnc2c1 InChI=1S/C16H14ClN5O/c17-11-1-2-12-13(3-4-19-14(12)9-11)20-7-8-22-16(23)15-10-18-5-6-21-15/h1-6,9-10H,7-8H2,(H,19,20)(H,22,23) RJIOWNNFOHEDRN-UHFFFAOYSA-N 50450082 CHEMBL4159379 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145959864 433919620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103932 Cl.Nc1ncnc2n(CCNCC\N=C\c3ccc(O)cc3O)cnc12 InChI=1S/C16H19N7O2/c17-15-14-16(21-9-20-15)23(10-22-14)6-5-18-3-4-19-8-11-1-2-12(24)7-13(11)25/h1-2,7-10,18,24-25H,3-6H2,(H2,17,20,21)/b19-8+ QDDLHFCNRILEHL-UFWORHAWSA-N 50450083 CHEMBL4166588 Beta-secretase 1 Homo sapiens 42000 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450083&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145953144 433919621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103933 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 173 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103934 Cl.Oc1ccc(\C=N\CCNCCn2cnc3ccccc23)c(O)c1 InChI=1S/C18H20N4O2/c23-15-6-5-14(18(24)11-15)12-20-8-7-19-9-10-22-13-21-16-3-1-2-4-17(16)22/h1-6,11-13,19,23-24H,7-10H2/b20-12+ ZFPWILOOBMLTDA-UDWIEESQSA-N 50450088 CHEMBL4166192 Beta-secretase 1 Homo sapiens 15600 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145954965 433919622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109500 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1C(F)(F)F InChI=1S/C15H17F3N2OS/c1-9-6-10-7-22-13(19)20-14(10,8-21-9)11-4-2-3-5-12(11)15(16,17)18/h2-5,9-10H,6-8H2,1H3,(H2,19,20)/t9-,10-,14-/m0/s1 UASXOTVJCSRYMT-BHDSKKPTSA-N 50452873 CHEMBL4209994 Beta-secretase 1 Homo sapiens 2920 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145966369 433921687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109502 COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H20N6O3S2/c1-9-3-10-6-28-16(18)23-17(10,8-26-9)15-22-12(7-27-15)21-14(24)11-4-20-13(25-2)5-19-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,18,23)(H,21,24)/t9-,10-,17-/m0/s1 OWMWOBMERLAIGE-YMNVWFMLSA-N 223323 US9315520, 10::US9605007, Example 10::US9744173, Example 10 Beta-secretase 1 Homo sapiens 536 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435506 336285198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109504 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C17H18F2N6O3S2/c1-8-2-9-5-30-16(20)25-17(9,7-27-8)14-24-11(6-29-14)23-13(26)10-3-22-12(4-21-10)28-15(18)19/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 DVDAZKKMTJRHDZ-GSRNSYJJSA-N 312934 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyrazine-2-carboxamide::US9605007, Example 2 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435382 383539883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109505 COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H21N5O3S2/c1-10-5-11-7-28-17(19)23-18(11,9-26-10)16-22-14(8-27-16)21-15(24)13-4-3-12(25-2)6-20-13/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,19,23)(H,21,24)/t10-,11-,18-/m0/s1 FAOQHMUWUIPURU-FHGNATFXSA-N 223332 US9315520, 19::US9605007, Example 19::US9744173, Example 19 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435601 336285207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109507 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 7.3 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109508 CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25+,26-/m0/s1 WKDNQONLGXOZRG-DFCKQENNSA-N 50452874 CHEMBL4217620 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 433921688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109510 COc1cccc(NC(=O)c2cnc(s2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n1 InChI=1S/C18H21N5O3S2/c1-10-6-11-8-27-17(19)23-18(11,9-26-10)16-20-7-12(28-16)15(24)22-13-4-3-5-14(21-13)25-2/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,19,23)(H,21,22,24)/t10-,11-,18-/m0/s1 JQPUNKDGBVSSQO-FHGNATFXSA-N 50452875 CHEMBL4212046 Beta-secretase 1 Homo sapiens 0.033000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145967429 433921689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109511 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C18H18N6O2S2/c1-10-4-12-7-28-17(20)24-18(12,9-26-10)16-23-14(8-27-16)22-15(25)13-3-2-11(5-19)6-21-13/h2-3,6,8,10,12H,4,7,9H2,1H3,(H2,20,24)(H,22,25)/t10-,12-,18-/m0/s1 TYNXFCODUDWTAD-RSNWOKGLSA-N 312940 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-cyanopyridine-2-carboxamide::US9605007, Example 5 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435403 383539889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109512 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1 OLZWOORXDWFBII-FZNYLWTLSA-N 50078349 CHEMBL3414707::US9260455, 3 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507167 313073631 CHEMBL3414707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109515 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 InChI=1S/C17H18F2N6O3S2/c1-8-2-9-5-30-16(20)25-17(9,7-27-8)14-24-11(6-29-14)23-13(26)10-3-22-12(4-21-10)28-15(18)19/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,20,25)(H,23,26)/t8-,9-,17-/m0/s1 DVDAZKKMTJRHDZ-GSRNSYJJSA-N 312934 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyrazine-2-carboxamide::US9605007, Example 2 Beta-secretase 1 Homo sapiens 73 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435382 383539883 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109516 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 InChI=1S/C18H18F3N5O2S2/c1-9-4-11-6-30-16(22)26-17(11,8-28-9)15-25-13(7-29-15)24-14(27)12-3-2-10(5-23-12)18(19,20)21/h2-3,5,7,9,11H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,11-,17-/m0/s1 ZZHRZUNUORUAKI-NSTVUXKKSA-N 223330 US9315520, 17::US9605007, Example 17::US9744173, Example 17 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435560 336285205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109517 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccsc1 InChI=1S/C12H16N2OS2/c1-8-4-10-6-17-11(13)14-12(10,7-15-8)9-2-3-16-5-9/h2-3,5,8,10H,4,6-7H2,1H3,(H2,13,14)/t8-,10-,12+/m0/s1 MBYUXUMDDRLYIE-PTOFAABTSA-N 50452876 CHEMBL4203347 Beta-secretase 1 Homo sapiens 5170 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977020 433921690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109521 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens <2.2 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51039270 251971813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109522 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1 OLZWOORXDWFBII-FZNYLWTLSA-N 50078349 CHEMBL3414707::US9260455, 3 Beta-secretase 1 Homo sapiens 704 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73507167 313073631 CHEMBL3414707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109523 NC1=N[C@]2(CCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4OS/c20-12-3-6-16(23-9-12)17(26)24-13-4-5-15(21)14(8-13)19-7-1-2-11(19)10-27-18(22)25-19/h3-6,8-9,11H,1-2,7,10H2,(H2,22,25)(H,24,26)/t11-,19-/m0/s1 UIAVKAKVAXWNHJ-WLRWDXFRSA-N 50452877 CHEMBL4205912 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44198935 433921691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109524 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 InChI=1S/C16H18F2N6O2S2/c1-8-4-9-5-28-15(19)22-16(9,7-26-8)13-21-11(6-27-13)20-12(25)10-2-3-24(23-10)14(17)18/h2-3,6,8-9,14H,4-5,7H2,1H3,(H2,19,22)(H,20,25)/t8-,9-,16-/m0/s1 RODMHPIORBBNPR-BEPCFFQHSA-N 312938 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide::US9605007, Example 4 Beta-secretase 1 Homo sapiens 0.640000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435363 383539887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109525 COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C17H20N6O3S2/c1-9-3-10-6-28-16(18)23-17(10,8-26-9)15-22-12(7-27-15)21-14(24)11-4-20-13(25-2)5-19-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,18,23)(H,21,24)/t9-,10-,17-/m0/s1 OWMWOBMERLAIGE-YMNVWFMLSA-N 223323 US9315520, 10::US9605007, Example 10::US9744173, Example 10 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435506 336285198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109526 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O3S2/c1-9-3-12(29-17(20)21)5-23-14(9)15(27)24-13-7-30-16(25-13)19-8-28-10(2)4-11(19)6-31-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 CHAGAOAUIITKPC-ADWYPQAOSA-N 223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45 Beta-secretase 1 Homo sapiens 2.9 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435524 336285273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109527 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 InChI=1S/C18H18F3N5O2S2/c1-9-4-11-6-30-16(22)26-17(11,8-28-9)15-25-13(7-29-15)24-14(27)12-3-2-10(5-23-12)18(19,20)21/h2-3,5,7,9,11H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,11-,17-/m0/s1 ZZHRZUNUORUAKI-NSTVUXKKSA-N 223330 US9315520, 17::US9605007, Example 17::US9744173, Example 17 Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435560 336285205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109528 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 InChI=1S/C18H20FN5O2S2/c1-9-3-12(19)5-21-14(9)15(25)22-13-7-27-16(23-13)18-8-26-10(2)4-11(18)6-28-17(20)24-18/h3,5,7,10-11H,4,6,8H2,1-2H3,(H2,20,24)(H,22,25)/t10-,11-,18-/m0/s1 MKJNGYHYSXIWAW-FHGNATFXSA-N 223326 US9315520, 13::US9605007, Example 13::US9744173, Example 13 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435617 336285201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109529 COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C18H21N5O3S2/c1-10-5-11-7-28-17(19)23-18(11,9-26-10)16-22-14(8-27-16)21-15(24)13-4-3-12(25-2)6-20-13/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,19,23)(H,21,24)/t10-,11-,18-/m0/s1 FAOQHMUWUIPURU-FHGNATFXSA-N 223332 US9315520, 19::US9605007, Example 19::US9744173, Example 19 Beta-secretase 1 Homo sapiens 0.014000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435601 336285207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109530 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nccs1 InChI=1S/C11H15N3OS2/c1-7-4-8-5-17-10(12)14-11(8,6-15-7)9-13-2-3-16-9/h2-3,7-8H,4-6H2,1H3,(H2,12,14)/t7-,8-,11-/m0/s1 YOPGYXJUSAZXEE-LAEOZQHASA-N 50452878 CHEMBL4214785 Beta-secretase 1 Homo sapiens 2050 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974600 433921692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109531 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cccs1 InChI=1S/C12H16N2OS2/c1-8-5-9-6-17-11(13)14-12(9,7-15-8)10-3-2-4-16-10/h2-4,8-9H,5-7H2,1H3,(H2,13,14)/t8-,9-,12-/m0/s1 XHKFJNRNJSGHFB-AUTRQRHGSA-N 50452880 CHEMBL4204215 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977049 433921693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109532 COc1ccccc1[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C15H20N2O2S/c1-10-7-11-8-20-14(16)17-15(11,9-19-10)12-5-3-4-6-13(12)18-2/h3-6,10-11H,7-9H2,1-2H3,(H2,16,17)/t10-,11-,15-/m0/s1 SPCKMVYZWVCNSY-PGUXBMHVSA-N 50452881 CHEMBL4209354 Beta-secretase 1 Homo sapiens 850 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965420 433921694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109533 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1 InChI=1S/C14H18N2OS/c1-10-7-12-8-18-13(15)16-14(12,9-17-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,15,16)/t10-,12-,14+/m0/s1 BUDLPOJDPXTXBI-VHRBIJSZSA-N 50452882 CHEMBL4207711 Beta-secretase 1 Homo sapiens 820 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978628 433921695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109534 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens <0.540000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51039270 251971813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109546 NC1=N[C@]2(CCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4OS/c20-12-3-6-16(23-9-12)17(26)24-13-4-5-15(21)14(8-13)19-7-1-2-11(19)10-27-18(22)25-19/h3-6,8-9,11H,1-2,7,10H2,(H2,22,25)(H,24,26)/t11-,19-/m0/s1 UIAVKAKVAXWNHJ-WLRWDXFRSA-N 50452877 CHEMBL4205912 Beta-secretase 1 Homo sapiens 42 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44198935 433921691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109547 COc1cccc(NC(=O)c2cnc(s2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n1 InChI=1S/C18H21N5O3S2/c1-10-6-11-8-27-17(19)23-18(11,9-26-10)16-20-7-12(28-16)15(24)22-13-4-3-5-14(21-13)25-2/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,19,23)(H,21,22,24)/t10-,11-,18-/m0/s1 JQPUNKDGBVSSQO-FHGNATFXSA-N 50452875 CHEMBL4212046 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452875&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145967429 433921689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109548 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O3S2/c1-9-3-12(29-17(20)21)5-23-14(9)15(27)24-13-7-30-16(25-13)19-8-28-10(2)4-11(19)6-31-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 CHAGAOAUIITKPC-ADWYPQAOSA-N 223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435524 336285273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109549 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 37 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109550 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 InChI=1S/C18H18N6O2S2/c1-10-4-12-7-28-17(20)24-18(12,9-26-10)16-23-14(8-27-16)22-15(25)13-3-2-11(5-19)6-21-13/h2-3,6,8,10,12H,4,7,9H2,1H3,(H2,20,24)(H,22,25)/t10-,12-,18-/m0/s1 TYNXFCODUDWTAD-RSNWOKGLSA-N 312940 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-cyanopyridine-2-carboxamide::US9605007, Example 5 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435403 383539889 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109551 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H18ClN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 UFKMIVRYLMOXNT-YMNVWFMLSA-N 223396 US9315520, 7::US9315520, Example 7::US9605007, Example 7 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435407 336285271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109552 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 InChI=1S/C18H20FN5O2S2/c1-9-3-12(19)5-21-14(9)15(25)22-13-7-27-16(23-13)18-8-26-10(2)4-11(18)6-28-17(20)24-18/h3,5,7,10-11H,4,6,8H2,1-2H3,(H2,20,24)(H,22,25)/t10-,11-,18-/m0/s1 MKJNGYHYSXIWAW-FHGNATFXSA-N 223326 US9315520, 13::US9605007, Example 13::US9744173, Example 13 Beta-secretase 1 Homo sapiens 178 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435617 336285201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109553 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 InChI=1S/C17H18FN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 QQBRRRLRJBDPNK-YMNVWFMLSA-N 223322 US9315520, 9::US9605007, Example 9::US9744173, Example 9 Beta-secretase 1 Homo sapiens 229 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435412 336285197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109554 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cccs1 InChI=1S/C12H16N2OS2/c1-8-5-9-6-17-11(13)14-12(9,7-15-8)10-3-2-4-16-10/h2-4,8-9H,5-7H2,1H3,(H2,13,14)/t8-,9-,12-/m0/s1 XHKFJNRNJSGHFB-AUTRQRHGSA-N 50452880 CHEMBL4204215 Beta-secretase 1 Homo sapiens 1920 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452880&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977049 433921693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109555 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ncccc1F InChI=1S/C13H16FN3OS/c1-8-5-9-6-19-12(15)17-13(9,7-18-8)11-10(14)3-2-4-16-11/h2-4,8-9H,5-7H2,1H3,(H2,15,17)/t8-,9-,13-/m0/s1 KMVBXMWOGDYHIS-RVBZMBCESA-N 50452885 CHEMBL4214603 Beta-secretase 1 Homo sapiens 9160 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974594 433921698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109556 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1C(F)(F)F InChI=1S/C15H17F3N2OS/c1-9-6-10-7-22-13(19)20-14(10,8-21-9)11-4-2-3-5-12(11)15(16,17)18/h2-5,9-10H,6-8H2,1H3,(H2,19,20)/t9-,10-,14-/m0/s1 UASXOTVJCSRYMT-BHDSKKPTSA-N 50452873 CHEMBL4209994 Beta-secretase 1 Homo sapiens >79300 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452873&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145966369 433921687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103935 Cl.Nc1ncnc2n(CCNCC\N=C\c3ccc(O)cc3O)cnc12 InChI=1S/C16H19N7O2/c17-15-14-16(21-9-20-15)23(10-22-14)6-5-18-3-4-19-8-11-1-2-12(24)7-13(11)25/h1-2,7-10,18,24-25H,3-6H2,(H2,17,20,21)/b19-8+ QDDLHFCNRILEHL-UFWORHAWSA-N 50450083 CHEMBL4166588 Beta-secretase 1 Homo sapiens 41400 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450083&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145953144 433919621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103936 Oc1ccc(\C=N\CCn2ccc3ccccc23)c(O)c1 InChI=1S/C17H16N2O2/c20-15-6-5-14(17(21)11-15)12-18-8-10-19-9-7-13-3-1-2-4-16(13)19/h1-7,9,11-12,20-21H,8,10H2/b18-12+ HXDQMGCDIOQLMB-LDADJPATSA-N 50450089 CHEMBL4174503 Beta-secretase 1 Homo sapiens 4400 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145951471 433919623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103937 Oc1ccc(\C=N\CCn2ccc3cccnc23)c(O)c1 InChI=1S/C16H15N3O2/c20-14-4-3-13(15(21)10-14)11-17-7-9-19-8-5-12-2-1-6-18-16(12)19/h1-6,8,10-11,20-21H,7,9H2/b17-11+ WEURXPCNVXYFTR-GZTJUZNOSA-N 50450090 CHEMBL4170012 Beta-secretase 1 Homo sapiens 106700 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145953952 433919624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103938 Oc1ccccc1\C=N\CCNc1ccnc2cc(Cl)ccc12 InChI=1S/C18H16ClN3O/c19-14-5-6-15-16(7-8-21-17(15)11-14)22-10-9-20-12-13-3-1-2-4-18(13)23/h1-8,11-12,23H,9-10H2,(H,21,22)/b20-12+ SJUJATRAFIXKSB-UDWIEESQSA-N 50450091 CHEMBL4168528 Beta-secretase 1 Homo sapiens >160000 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136078846 433919625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103939 Cl.Oc1ccc(\C=N\CCNCCn2cnc3ccccc23)c(O)c1 InChI=1S/C18H20N4O2/c23-15-6-5-14(18(24)11-15)12-20-8-7-19-9-10-22-13-21-16-3-1-2-4-17(16)22/h1-6,11-13,19,23-24H,7-10H2/b20-12+ ZFPWILOOBMLTDA-UDWIEESQSA-N 50450088 CHEMBL4166192 Beta-secretase 1 Homo sapiens 18500 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450088&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145954965 433919622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103940 Oc1ccc(\C=N\CCn2ccc3ccccc23)c(O)c1 InChI=1S/C17H16N2O2/c20-15-6-5-14(17(21)11-15)12-18-8-10-19-9-7-13-3-1-2-4-16(13)19/h1-7,9,11-12,20-21H,8,10H2/b18-12+ HXDQMGCDIOQLMB-LDADJPATSA-N 50450089 CHEMBL4174503 Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450089&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145951471 433919623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51103941 Clc1ccc2c(NCCNC(=O)c3cnccn3)ccnc2c1 InChI=1S/C16H14ClN5O/c17-11-1-2-12-13(3-4-19-14(12)9-11)20-7-8-22-16(23)15-10-18-5-6-21-15/h1-6,9-10H,7-8H2,(H,19,20)(H,22,23) RJIOWNNFOHEDRN-UHFFFAOYSA-N 50450082 CHEMBL4159379 Beta-secretase 1 Homo sapiens 9900 ChEMBL 10.1016/j.bmc.2018.08.019 10.7270/Q29S1TK8 30181028 Martínez, A; Zahran, M; Gomez, M; Cooper, C; Guevara, J; Ekengard, E; Nordlander, E; Alcendor, R; Hambleton, S The City University of New York (CUNY) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145959864 433919620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109576 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens 6.4 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51039270 251971813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109577 NC1=N[C@]2(CCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4OS/c20-12-3-6-16(23-9-12)17(26)24-13-4-5-15(21)14(8-13)19-7-1-2-11(19)10-27-18(22)25-19/h3-6,8-9,11H,1-2,7,10H2,(H2,22,25)(H,24,26)/t11-,19-/m0/s1 UIAVKAKVAXWNHJ-WLRWDXFRSA-N 50452877 CHEMBL4205912 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44198935 433921691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109581 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109582 NC1=N[C@]2(CCC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C19H18F2N4OS/c20-12-3-6-16(23-9-12)17(26)24-13-4-5-15(21)14(8-13)19-7-1-2-11(19)10-27-18(22)25-19/h3-6,8-9,11H,1-2,7,10H2,(H2,22,25)(H,24,26)/t11-,19-/m0/s1 UIAVKAKVAXWNHJ-WLRWDXFRSA-N 50452877 CHEMBL4205912 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452877&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44198935 433921691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109583 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 BQFHTVUWPJXLOW-VQTJNVASSA-N 50012653 CHEMBL3261067 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SLK 7B1Q 66665322 103924906 CHEMBL3261067 ZINC29463978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109591 COc1cccc(NC(=O)c2cnc(s2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c1 InChI=1S/C19H22N4O3S2/c1-11-6-12-9-27-18(20)23-19(12,10-26-11)17-21-8-15(28-17)16(24)22-13-4-3-5-14(7-13)25-2/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,20,23)(H,22,24)/t11-,12-,19-/m0/s1 LVGAQNBDDLPKTG-ZKTNFTSUSA-N 50452883 CHEMBL4203860 Beta-secretase 1 Homo sapiens 0.110000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978250 433921696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109592 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H18ClN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 UFKMIVRYLMOXNT-YMNVWFMLSA-N 223396 US9315520, 7::US9315520, Example 7::US9605007, Example 7 Beta-secretase 1 Homo sapiens 3.8 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435407 336285271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109593 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 InChI=1S/C17H18FN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 QQBRRRLRJBDPNK-YMNVWFMLSA-N 223322 US9315520, 9::US9605007, Example 9::US9744173, Example 9 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435412 336285197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109594 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccsc1 InChI=1S/C12H16N2OS2/c1-8-4-10-6-17-11(13)14-12(10,7-15-8)9-2-3-16-5-9/h2-3,5,8,10H,4,6-7H2,1H3,(H2,13,14)/t8-,10-,12+/m0/s1 MBYUXUMDDRLYIE-PTOFAABTSA-N 50452876 CHEMBL4203347 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977020 433921690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109600 COc1cccc(NC(=O)c2cnc(s2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c1 InChI=1S/C19H22N4O3S2/c1-11-6-12-9-27-18(20)23-19(12,10-26-11)17-21-8-15(28-17)16(24)22-13-4-3-5-14(7-13)25-2/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,20,23)(H,22,24)/t11-,12-,19-/m0/s1 LVGAQNBDDLPKTG-ZKTNFTSUSA-N 50452883 CHEMBL4203860 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978250 433921696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109601 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 InChI=1S/C18H18F3N5O3S2/c1-9-4-10-6-31-16(22)26-17(10,8-28-9)15-25-13(7-30-15)24-14(27)12-3-2-11(5-23-12)29-18(19,20)21/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,10-,17-/m0/s1 JGHWELLXLGSIDW-YMNVWFMLSA-N 223333 US9315520, 20::US9605007, Example 20::US9744173, Example 20 Beta-secretase 1 Homo sapiens 107 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435414 336285208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109602 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nccs1 InChI=1S/C11H15N3OS2/c1-7-4-8-5-17-10(12)14-11(8,6-15-7)9-13-2-3-16-9/h2-3,7-8H,4-6H2,1H3,(H2,12,14)/t7-,8-,11-/m0/s1 YOPGYXJUSAZXEE-LAEOZQHASA-N 50452878 CHEMBL4214785 Beta-secretase 1 Homo sapiens 23900 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452878&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974600 433921692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109603 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1 InChI=1S/C14H18N2OS/c1-10-7-12-8-18-13(15)16-14(12,9-17-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,15,16)/t10-,12-,14+/m0/s1 BUDLPOJDPXTXBI-VHRBIJSZSA-N 50452882 CHEMBL4207711 Beta-secretase 1 Homo sapiens 1330 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978628 433921695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109609 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 239 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109610 COc1ccc(cc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H22N4O3S2/c1-11-7-13-8-28-18(20)23-19(13,10-26-11)17-22-15(9-27-17)21-16(24)12-3-5-14(25-2)6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H2,20,23)(H,21,24)/t11-,13-,19-/m0/s1 GXIAISRUEUDWOT-BLWXERESSA-N 50452884 CHEMBL4217023 Beta-secretase 1 Homo sapiens 0.034000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971666 433921697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109613 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 InChI=1S/C19H21F2N5O3S2/c1-9-3-12(29-17(20)21)5-23-14(9)15(27)24-13-7-30-16(25-13)19-8-28-10(2)4-11(19)6-31-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1 CHAGAOAUIITKPC-ADWYPQAOSA-N 223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45 Beta-secretase 1 Homo sapiens 8.7 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435524 336285273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109614 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 5.1 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109615 COc1ccccc1[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C15H20N2O2S/c1-10-7-11-8-20-14(16)17-15(11,9-19-10)12-5-3-4-6-13(12)18-2/h3-6,10-11H,7-9H2,1-2H3,(H2,16,17)/t10-,11-,15-/m0/s1 SPCKMVYZWVCNSY-PGUXBMHVSA-N 50452881 CHEMBL4209354 Beta-secretase 1 Homo sapiens 6060 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452881&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965420 433921694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109619 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 InChI=1S/C17H18ClN5O2S2/c1-9-4-10-6-27-16(19)23-17(10,8-25-9)15-22-13(7-26-15)21-14(24)12-3-2-11(18)5-20-12/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,19,23)(H,21,24)/t9-,10-,17-/m0/s1 UFKMIVRYLMOXNT-YMNVWFMLSA-N 223396 US9315520, 7::US9315520, Example 7::US9605007, Example 7 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435407 336285271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109623 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 VBWPFVMZZPWFMD-KRWDZBQOSA-N 143218 US8940748, 34::US9029362, 34::US9687494, 34 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=143218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 51039270 251971813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109625 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 InChI=1S/C18H18F3N5O3S2/c1-9-4-10-6-31-16(22)26-17(10,8-28-9)15-25-13(7-30-15)24-14(27)12-3-2-11(5-23-12)29-18(19,20)21/h2-3,5,7,9-10H,4,6,8H2,1H3,(H2,22,26)(H,24,27)/t9-,10-,17-/m0/s1 JGHWELLXLGSIDW-YMNVWFMLSA-N 223333 US9315520, 20::US9605007, Example 20::US9744173, Example 20 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435414 336285208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109626 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 InChI=1S/C16H18F2N6O2S2/c1-8-4-9-5-28-15(19)22-16(9,7-26-8)13-21-11(6-27-13)20-12(25)10-2-3-24(23-10)14(17)18/h2-3,6,8-9,14H,4-5,7H2,1H3,(H2,19,22)(H,20,25)/t8-,9-,16-/m0/s1 RODMHPIORBBNPR-BEPCFFQHSA-N 312938 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide::US9605007, Example 4 Beta-secretase 1 Homo sapiens 9.3 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312938&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435363 383539887 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109627 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ncccc1F InChI=1S/C13H16FN3OS/c1-8-5-9-6-19-12(15)17-13(9,7-18-8)11-10(14)3-2-4-16-11/h2-4,8-9H,5-7H2,1H3,(H2,15,17)/t8-,9-,13-/m0/s1 KMVBXMWOGDYHIS-RVBZMBCESA-N 50452885 CHEMBL4214603 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145974594 433921698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51109630 COc1ccc(cc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 InChI=1S/C19H22N4O3S2/c1-11-7-13-8-28-18(20)23-19(13,10-26-11)17-22-15(9-27-17)21-16(24)12-3-5-14(25-2)6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H2,20,23)(H,21,24)/t11-,13-,19-/m0/s1 GXIAISRUEUDWOT-BLWXERESSA-N 50452884 CHEMBL4217023 Beta-secretase 1 Homo sapiens 990 ChEMBL 10.1021/acs.jmedchem.8b00246 10.7270/Q23J3GJ5 29613789 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145971666 433921697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106736 OC(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H29ClN2O3S/c28-20-14-16-23(17-15-20)34(32,33)30(21-8-2-1-3-9-21)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h4-7,10-17,21-22,31H,1-3,8-9,18-19H2 NZVRFPZGBITYCQ-UHFFFAOYSA-N 50451400 CHEMBL4212215 Beta-secretase 1 Homo sapiens 6500 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451400&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145966948 433920603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106737 OC(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H27ClN2O3S/c30-23-14-16-25(17-15-23)36(34,35)31(19-18-22-8-2-1-3-9-22)20-24(33)21-32-28-12-6-4-10-26(28)27-11-5-7-13-29(27)32/h1-17,24,33H,18-21H2 FZUFQYYHFFFJNE-UHFFFAOYSA-N 50451401 CHEMBL4206331 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978340 433920604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106738 COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)S(=O)(=O)c2ccccc2)cc1 InChI=1S/C29H28N2O4S/c1-35-24-17-15-22(16-18-24)19-30(36(33,34)25-9-3-2-4-10-25)20-23(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,23,32H,19-21H2,1H3 RFNUTEOGMFDDIO-UHFFFAOYSA-N 50451402 CHEMBL4204985 Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451402&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978056 433920605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106739 OC(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H24N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h1-18,22,30H,19-20H2 XXXXUNMGBLAEHU-UHFFFAOYSA-N 114021 MLS000574307::N-(3-carbazol-9-yl-2-hydroxy-propyl)-N-phenyl-benzenesulfonamide::N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide::N-(3-carbazol-9-yl-2-oxidanyl-propyl)-N-phenyl-benzenesulfonamide::N-[3-(9-carbazolyl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide::N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide::SMR000195898::cid_2908418 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=114021&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2908418 252663541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106740 COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)C1CCCCC1 InChI=1S/C28H32N2O4S/c1-34-23-15-17-24(18-16-23)35(32,33)30(21-9-3-2-4-10-21)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-18,21-22,31H,2-4,9-10,19-20H2,1H3 UCCCKNGJKCIFEZ-UHFFFAOYSA-N 50451403 CHEMBL4217236 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451403&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145973319 433920606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106741 Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)C1CCCCC1 InChI=1S/C28H32N2O3S/c1-21-15-17-24(18-16-21)34(32,33)30(22-9-3-2-4-10-22)20-23(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-18,22-23,31H,2-4,9-10,19-20H2,1H3 MHKMCQOOPGDLSK-UHFFFAOYSA-N 50451404 CHEMBL4208507 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451404&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3129559 433920607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106742 OC(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H30N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h2,5-10,13-18,21-22,30H,1,3-4,11-12,19-20H2 CJSKZLMAYXRZPX-UHFFFAOYSA-N 50451405 CHEMBL4218591 Beta-secretase 1 Homo sapiens 4100 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451405&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145968008 433920608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106743 COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc12 InChI=1S/C30H30N2O4S/c1-36-25-15-17-26(18-16-25)37(34,35)31(20-19-23-9-3-2-4-10-23)21-24(33)22-32-29-13-7-5-11-27(29)28-12-6-8-14-30(28)32/h2-18,24,33H,19-22H2,1H3 SLKTXXCEMBOYSO-UHFFFAOYSA-N 50451406 CHEMBL4206849 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145975195 433920609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106744 Cc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc12 InChI=1S/C30H30N2O3S/c1-23-15-17-26(18-16-23)36(34,35)31(20-19-24-9-3-2-4-10-24)21-25(33)22-32-29-13-7-5-11-27(29)28-12-6-8-14-30(28)32/h2-18,25,33H,19-22H2,1H3 RBGIJMNPNUWEEN-UHFFFAOYSA-N 50451407 CHEMBL4211220 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451407&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965252 433920610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106745 OC(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C29H28N2O3S/c32-24(22-31-28-17-9-7-15-26(28)27-16-8-10-18-29(27)31)21-30(20-19-23-11-3-1-4-12-23)35(33,34)25-13-5-2-6-14-25/h1-18,24,32H,19-22H2 ZQHFFBHBUTWQFS-UHFFFAOYSA-N 50451408 CHEMBL4204309 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145969593 433920611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106746 OC(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H25ClN2O3S/c29-22-16-14-21(15-17-22)18-30(35(33,34)24-8-2-1-3-9-24)19-23(32)20-31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)31/h1-17,23,32H,18-20H2 KEJOUEONJHLPIU-UHFFFAOYSA-N 50451409 CHEMBL4204582 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145970482 433920612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106747 Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)S(=O)(=O)c2ccccc2)cc1 InChI=1S/C29H28N2O3S/c1-22-15-17-23(18-16-22)19-30(35(33,34)25-9-3-2-4-10-25)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3 GFIBFLXEHYNJAS-UHFFFAOYSA-N 50451410 CHEMBL4218977 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145970093 433920613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106748 COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 InChI=1S/C29H28N2O4S/c1-35-24-15-17-25(18-16-24)36(33,34)30(19-22-9-3-2-4-10-22)20-23(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,23,32H,19-21H2,1H3 OLSHLNADBKQHPW-UHFFFAOYSA-N 50451411 CHEMBL4205504 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145975379 433920614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106749 OC(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H25ClN2O3S/c29-22-14-16-24(17-15-22)35(33,34)30(18-21-8-2-1-3-9-21)19-23(32)20-31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)31/h1-17,23,32H,18-20H2 LYGKJTNCDHZVTM-UHFFFAOYSA-N 50451412 CHEMBL4211801 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145964592 433920615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106750 Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 InChI=1S/C29H28N2O3S/c1-22-15-17-25(18-16-22)35(33,34)30(19-23-9-3-2-4-10-23)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3 DYDLOWGVDJCVOV-UHFFFAOYSA-N 50451413 CHEMBL4218068 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451413&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3122846 433920616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106751 OC(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H26N2O3S/c31-23(21-30-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30)20-29(19-22-11-3-1-4-12-22)34(32,33)24-13-5-2-6-14-24/h1-18,23,31H,19-21H2 QWOGGKOXKDJAAS-UHFFFAOYSA-N 50451414 CHEMBL4208381 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451414&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145977228 433920617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106752 OC(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H23FN2O3S/c28-20-14-16-21(17-15-20)30(34(32,33)23-8-2-1-3-9-23)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,22,31H,18-19H2 MGGSPNAPOBJNCP-UHFFFAOYSA-N 50451415 CHEMBL4208920 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145965859 433920618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106753 OC(CN(c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H23N3O5S/c31-22(18-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28)19-29(20-14-16-21(17-15-20)30(32)33)36(34,35)23-8-2-1-3-9-23/h1-17,22,31H,18-19H2 IEVULEXMSQZDMG-UHFFFAOYSA-N 50451416 CHEMBL4204042 Beta-secretase 1 Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451416&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145978024 433920619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106754 OC(CN(c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C28H23F3N2O3S/c29-28(30,31)20-14-16-21(17-15-20)33(37(35,36)23-8-2-1-3-9-23)19-22(34)18-32-26-12-6-4-10-24(26)25-11-5-7-13-27(25)32/h1-17,22,34H,18-19H2 BWFORULQHLYIDV-UHFFFAOYSA-N 50451417 CHEMBL4202435 Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145976476 433920620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106755 OC(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H23ClN2O3S/c28-20-14-16-21(17-15-20)30(34(32,33)23-8-2-1-3-9-23)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,22,31H,18-19H2 NFEXSLLVKSDLGG-UHFFFAOYSA-N 50451418 CHEMBL4215297 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451418&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145972542 433920621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106756 Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)S(=O)(=O)c1ccccc1 InChI=1S/C28H26N2O3S/c1-21-15-17-22(18-16-21)30(34(32,33)24-9-3-2-4-10-24)20-23(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,23,31H,19-20H2,1H3 CFOJESBCSXQWGL-UHFFFAOYSA-N 50451419 CHEMBL4204085 Beta-secretase 1 Homo sapiens 7100 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2908827 433920622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106757 COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 InChI=1S/C28H26N2O4S/c1-34-23-15-17-24(18-16-23)35(32,33)30(21-9-3-2-4-10-21)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,22,31H,19-20H2,1H3 OQMPFTJPKOJUDQ-UHFFFAOYSA-N 50451420 CHEMBL4202984 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451420&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145969138 433920623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106758 OC(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 InChI=1S/C27H23ClN2O3S/c28-20-14-16-23(17-15-20)34(32,33)30(21-8-2-1-3-9-21)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,22,31H,18-19H2 SHAVBJGAKXYWNS-UHFFFAOYSA-N 50451421 CHEMBL4208775 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451421&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5214207 433920624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51106759 Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 InChI=1S/C28H26N2O3S/c1-21-15-17-24(18-16-21)34(32,33)30(22-9-3-2-4-10-22)20-23(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,23,31H,19-20H2,1H3 ANAYFCFDXZUBQW-UHFFFAOYSA-N 50451422 CHEMBL4207174 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2017.09.058 10.7270/Q2K076V7 28993050 Bertini, S; Ghilardi, E; Asso, V; Minutolo, F; Rapposelli, S; Digiacomo, M; Saccomanni, G; Salmaso, V; Sturlese, M; Moro, S; Macchia, M; Manera, C Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451422&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3122847 433920625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126357 COC[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O3/c1-20(17(22)16(10-29-2)30-19(24)27-20)13-7-12(4-5-14(13)21)26-18(28)15-6-3-11(8-23)9-25-15/h3-7,9,16-17H,10H2,1-2H3,(H2,24,27)(H,26,28)/t16-,17+,20-/m1/s1 RTRLKXJUOZLFHE-FUHIMQAGSA-N 204998 I-29 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204998&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399626 375976923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126358 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF3N5O2/c1-19(16(23)14(6-21)30-18(25)28-19)11-5-10(2-3-13(11)22)27-17(29)15-12(20)4-9(7-24)8-26-15/h2-5,8,14,16H,6H2,1H3,(H2,25,28)(H,27,29)/t14-,16+,19-/m1/s1 DEEDEKNDTOQSFH-SIXWZSSISA-N 50462001 CHEMBL4227054 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399605 433929266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126360 C[C@@H]1COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18FN5O2/c1-11-10-27-18(22)25-19(11,2)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(8-21)9-23-16/h3-7,9,11H,10H2,1-2H3,(H2,22,25)(H,24,26)/t11-,19+/m1/s1 ZSELQDURFUJHQZ-WYRIXSBYSA-N 50462003 CHEMBL4228841 Beta-secretase 1 Homo sapiens 72 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462003&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145989033 433929268 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126362 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 118 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126372 C[C@H]1COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18FN5O2/c1-11-10-27-18(22)25-19(11,2)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(8-21)9-23-16/h3-7,9,11H,10H2,1-2H3,(H2,22,25)(H,24,26)/t11-,19-/m0/s1 ZSELQDURFUJHQZ-WLRWDXFRSA-N 50462009 CHEMBL4229101 Beta-secretase 1 Homo sapiens 84 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462009&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988628 433929274 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126373 C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1 ALKHFUPBQSAGMS-CRAIPNDOSA-N 50432607 CHEMBL2347205::US8754075, 33 Beta-secretase 1 Homo sapiens 1170 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432607&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H6 4J0Y 66558858 164161482 CHEMBL2347205 ZINC95601492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126374 C[C@@]1(N=C(N)O[C@@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-19(16(22)15(7-20)29-18(24)27-19)12-6-11(3-4-13(12)21)26-17(28)14-5-2-10(8-23)9-25-14/h2-6,9,15-16H,7H2,1H3,(H2,24,27)(H,26,28)/t15-,16-,19+/m0/s1 WGFFOASKSASUPL-TXPKVOOTSA-N 50462010 CHEMBL4228010 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462010&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90147187 433929275 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126375 CO[C@H]1[C@@H](CF)OC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O3/c1-20(17(29-2)16(8-21)30-19(24)27-20)13-7-12(4-5-14(13)22)26-18(28)15-6-3-11(9-23)10-25-15/h3-7,10,16-17H,8H2,1-2H3,(H2,24,27)(H,26,28)/t16-,17+,20-/m1/s1 OKVDXCCPCFSPRO-FUHIMQAGSA-N 204996 I-28 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204996&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399566 375976922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126376 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F4N4O2/c1-18(15(22)14(7-19)28-17(23)26-18)11-6-10(3-4-12(11)21)25-16(27)13-5-2-9(20)8-24-13/h2-6,8,14-15H,7H2,1H3,(H2,23,26)(H,25,27)/t14-,15+,18-/m1/s1 BFEQDIQTMANSEQ-RVKKMQEKSA-N 50462011 CHEMBL4226467 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399787 433929276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126377 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H16F5N5O2/c1-18(14(21)13(5-19)30-17(24)28-18)9-4-8(2-3-10(9)20)27-16(29)12-7-25-11(6-26-12)15(22)23/h2-4,6-7,13-15H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,14+,18-/m1/s1 ASUXJKFZYWODQA-QWQRMKEZSA-N 50462006 CHEMBL4226730 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399635 433929271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126378 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)10-4-9(2-3-11(10)21)26-16(28)12-6-25-14(7-24-12)29-8-20/h2-4,6-7,13,15H,5,8H2,1H3,(H2,23,27)(H,26,28)/t13-,15+,18-/m1/s1 CZFHVTRHAUEYMV-QIIPPGSGSA-N 204994 I-27 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399612 375976921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126379 CC(F)(F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H18F5N5O3/c1-18(14(22)15(19(2,23)24)32-17(25)29-18)10-5-9(3-4-11(10)21)28-16(30)12-6-27-13(7-26-12)31-8-20/h3-7,14-15H,8H2,1-2H3,(H2,25,29)(H,28,30)/t14-,15-,18+/m0/s1 DKIWJWSKVCKJPV-RLFYNMQTSA-N 50462002 CHEMBL4226994 Beta-secretase 1 Homo sapiens 8.7 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B5 5YGX 118440826 433929267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126380 C[C@H](F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H19F4N5O3/c1-9(21)15-16(23)19(2,28-18(24)31-15)11-5-10(3-4-12(11)22)27-17(29)13-6-26-14(7-25-13)30-8-20/h3-7,9,15-16H,8H2,1-2H3,(H2,24,28)(H,27,29)/t9-,15+,16-,19+/m0/s1 XLLBJPJPZUZGIT-COHQNKDASA-N 50462007 CHEMBL4225154 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441135 433929272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126381 C[C@@H](F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H19F4N5O3/c1-9(21)15-16(23)19(2,28-18(24)31-15)11-5-10(3-4-12(11)22)27-17(29)13-6-26-14(7-25-13)30-8-20/h3-7,9,15-16H,8H2,1-2H3,(H2,24,28)(H,27,29)/t9-,15-,16+,19-/m1/s1 XLLBJPJPZUZGIT-KRAREHRYSA-N 50462004 CHEMBL4226007 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126693206 433929269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126382 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126383 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F4N4O2/c1-18(15(22)14(7-19)28-17(23)26-18)11-6-10(3-4-12(11)21)25-16(27)13-5-2-9(20)8-24-13/h2-6,8,14-15H,7H2,1H3,(H2,23,26)(H,25,27)/t14-,15+,18-/m1/s1 BFEQDIQTMANSEQ-RVKKMQEKSA-N 50462011 CHEMBL4226467 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462011&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399787 433929276 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126385 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H](CF)[C@@H]1F InChI=1S/C18H18F3N5O3/c1-18(15(21)13(6-19)29-17(22)26-18)10-5-9(3-4-11(10)20)25-16(27)12-7-24-14(28-2)8-23-12/h3-5,7-8,13,15H,6H2,1-2H3,(H2,22,26)(H,25,27)/t13-,15+,18-/m1/s1 QVFZVZFFEJQDAB-QIIPPGSGSA-N 50462005 CHEMBL4227313 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399643 433929270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126386 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)10-4-9(2-3-11(10)21)26-16(28)12-6-25-14(7-24-12)29-8-20/h2-4,6-7,13,15H,5,8H2,1H3,(H2,23,27)(H,26,28)/t13-,15+,18-/m1/s1 CZFHVTRHAUEYMV-QIIPPGSGSA-N 204994 I-27 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204994&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399612 375976921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126387 CC(F)(F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H18F5N5O3/c1-18(14(22)15(19(2,23)24)32-17(25)29-18)10-5-9(3-4-11(10)21)28-16(30)12-6-27-13(7-26-12)31-8-20/h3-7,14-15H,8H2,1-2H3,(H2,25,29)(H,28,30)/t14-,15-,18+/m0/s1 DKIWJWSKVCKJPV-RLFYNMQTSA-N 50462002 CHEMBL4226994 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462002&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B5 5YGX 118440826 433929267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126388 C[C@H](F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H19F4N5O3/c1-9(21)15-16(23)19(2,28-18(24)31-15)11-5-10(3-4-12(11)22)27-17(29)13-6-26-14(7-25-13)30-8-20/h3-7,9,15-16H,8H2,1-2H3,(H2,24,28)(H,27,29)/t9-,15+,16-,19+/m0/s1 XLLBJPJPZUZGIT-COHQNKDASA-N 50462007 CHEMBL4225154 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462007&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441135 433929272 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126389 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126390 C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C1(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O3/c1-19(15(23)16(20(24)4-5-20)32-18(25)29-19)11-6-10(2-3-12(11)22)28-17(30)13-7-27-14(8-26-13)31-9-21/h2-3,6-8,15-16H,4-5,9H2,1H3,(H2,25,29)(H,28,30)/t15-,16-,19+/m0/s1 IGZKUFGUJFXVMF-TXPKVOOTSA-N 50462008 CHEMBL4227851 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441142 433929273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126392 C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1 ALKHFUPBQSAGMS-MAUKXSAKSA-N 50432608 CHEMBL2347204::US8754075, 4 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H7 4J0V 66558601 164161483 CHEMBL2347204 ZINC95604687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126393 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-19(16(22)15(7-20)29-18(24)27-19)12-6-11(3-4-13(12)21)26-17(28)14-5-2-10(8-23)9-25-14/h2-6,9,15-16H,7H2,1H3,(H2,24,27)(H,26,28)/t15-,16+,19-/m1/s1 WGFFOASKSASUPL-JTDSTZFVSA-N 204940 I-25 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222429 375976920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126394 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H](CF)[C@@H]1F InChI=1S/C18H18F3N5O3/c1-18(15(21)13(6-19)29-17(22)26-18)10-5-9(3-4-11(10)20)25-16(27)12-7-24-14(28-2)8-23-12/h3-5,7-8,13,15H,6H2,1-2H3,(H2,22,26)(H,25,27)/t13-,15+,18-/m1/s1 QVFZVZFFEJQDAB-QIIPPGSGSA-N 50462005 CHEMBL4227313 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462005&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399643 433929270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126395 C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C1(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O3/c1-19(15(23)16(20(24)4-5-20)32-18(25)29-19)11-6-10(2-3-12(11)22)28-17(30)13-7-27-14(8-26-13)31-9-21/h2-3,6-8,15-16H,4-5,9H2,1H3,(H2,25,29)(H,28,30)/t15-,16-,19+/m0/s1 IGZKUFGUJFXVMF-TXPKVOOTSA-N 50462008 CHEMBL4227851 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462008&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441142 433929273 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126396 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2/c1-19(16(22)15(7-20)29-18(24)27-19)12-6-11(3-4-13(12)21)26-17(28)14-5-2-10(8-23)9-25-14/h2-6,9,15-16H,7H2,1H3,(H2,24,27)(H,26,28)/t15-,16+,19-/m1/s1 WGFFOASKSASUPL-JTDSTZFVSA-N 204940 I-25 Beta-secretase 1 Homo sapiens 0.580000 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204940&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74222429 375976920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126397 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H16F5N5O2/c1-18(14(21)13(5-19)30-17(24)28-18)9-4-8(2-3-10(9)20)27-16(29)12-7-25-11(6-26-12)15(22)23/h2-4,6-7,13-15H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,14+,18-/m1/s1 ASUXJKFZYWODQA-QWQRMKEZSA-N 50462006 CHEMBL4226730 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399635 433929271 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126398 C[C@@H](F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H19F4N5O3/c1-9(21)15-16(23)19(2,28-18(24)31-15)11-5-10(3-4-12(11)22)27-17(29)13-6-26-14(7-25-13)30-8-20/h3-7,9,15-16H,8H2,1-2H3,(H2,24,28)(H,27,29)/t9-,15-,16+,19-/m1/s1 XLLBJPJPZUZGIT-KRAREHRYSA-N 50462004 CHEMBL4226007 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462004&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126693206 433929269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126399 C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF3N5O2/c1-19(16(23)14(6-21)30-18(25)28-19)11-5-10(2-3-13(11)22)27-17(29)15-12(20)4-9(7-24)8-26-15/h2-5,8,14,16H,6H2,1H3,(H2,25,28)(H,27,29)/t14-,16+,19-/m1/s1 DEEDEKNDTOQSFH-SIXWZSSISA-N 50462001 CHEMBL4227054 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462001&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399605 433929266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51126400 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acs.jmedchem.8b00011 10.7270/Q2SB48DD 29775538 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135716 CN(C)Cc1ccccc1-c1ccc(NCCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-7-12-22-34-18-8-3-9-19-34)31(25-27)36-24-23-35-20-10-4-11-21-35/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3 ICOMXKVTPPPFIC-UHFFFAOYSA-N 50465753 CHEMBL4290806 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145986652 433933018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135717 CN(C)Cc1ccc(cc1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C30H46N4O/c1-32(2)25-26-10-12-27(13-11-26)28-14-15-29(31-16-9-21-33-17-5-3-6-18-33)30(24-28)35-23-22-34-19-7-4-8-20-34/h10-15,24,31H,3-9,16-23,25H2,1-2H3 XZPGJRJXFPHTDZ-UHFFFAOYSA-N 50465754 CHEMBL4293890 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145989240 433933019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135718 CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCCN2CCCCC2)c1 InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-23-35-20-9-4-10-21-35)31(25-27)36-24-12-11-22-34-18-7-3-8-19-34/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3 PBAOJRHKNGGZSX-UHFFFAOYSA-N 50465755 CHEMBL4282946 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145980230 433933020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135719 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccc(CN2CCCCC2)cc1)CN1CCCCC1 InChI=1S/C33H50N4O/c1-4-18-35(19-5-1)24-10-17-34-32-16-15-31(27-33(32)38-26-25-36-20-6-2-7-21-36)30-13-11-29(12-14-30)28-37-22-8-3-9-23-37/h11-16,27,34H,1-10,17-26,28H2 VRCXWVOKIOIRNA-UHFFFAOYSA-N 50465756 CHEMBL4282611 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979768 433933021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135720 CN(C)Cc1ccc(cc1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C30H46N4O/c1-32(2)25-26-10-12-27(13-11-26)28-14-15-29(31-16-9-21-33-17-5-3-6-18-33)30(24-28)35-23-22-34-19-7-4-8-20-34/h10-15,24,31H,3-9,16-23,25H2,1-2H3 XZPGJRJXFPHTDZ-UHFFFAOYSA-N 50465754 CHEMBL4293890 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145989240 433933019 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135721 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)cc1 InChI=1S/C23H33N3/c1-25(2)19-21-9-4-5-10-23(21)20-11-13-22(14-12-20)24-15-8-18-26-16-6-3-7-17-26/h4-5,9-14,24H,3,6-8,15-19H2,1-2H3 FHRGMALGBACXNK-UHFFFAOYSA-N 50465757 CHEMBL4288906 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988149 433933022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135722 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) WHTVZRBIWZFKQO-UHFFFAOYSA-N 22985 Aralen::CHEMBL76::CHLOROQUINE PHOSPHATE::Chlorochin::Chloroquine::Chloroquine, 17::med.21724, Compound 8::{4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0TX 7ER3,4FGK 2719 49846799 3638 CHEMBL76 DB00608 5535 C07625 ZINC01530861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135723 C(CNc1ccc(cc1OCCN1CCCCC1)-c1cccc(CN2CCCCC2)c1)CN1CCCCC1 InChI=1S/C33H50N4O/c1-4-17-35(18-5-1)23-11-16-34-32-15-14-31(27-33(32)38-25-24-36-19-6-2-7-20-36)30-13-10-12-29(26-30)28-37-21-8-3-9-22-37/h10,12-15,26-27,34H,1-9,11,16-25,28H2 DHZLVNXOHIHHEV-UHFFFAOYSA-N 50465758 CHEMBL4285991 Beta-secretase 1 Homo sapiens 4300 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145991995 433933023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135724 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCC2CCCCC2)c1 InChI=1S/C31H47N3O/c1-33(2)25-28-14-7-8-15-29(28)27-16-17-30(32-19-11-22-34-20-9-4-10-21-34)31(24-27)35-23-18-26-12-5-3-6-13-26/h7-8,14-17,24,26,32H,3-6,9-13,18-23,25H2,1-2H3 PVWNPHDOANLYNV-UHFFFAOYSA-N 50465759 CHEMBL4294633 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145993657 433933024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135725 C(CN1CCCCC1)Oc1cccc(c1)-c1ccccc1 InChI=1S/C19H23NO/c1-3-8-17(9-4-1)18-10-7-11-19(16-18)21-15-14-20-12-5-2-6-13-20/h1,3-4,7-11,16H,2,5-6,12-15H2 KTFWIJYXMMXKLO-UHFFFAOYSA-N 50465760 CHEMBL4287392 Beta-secretase 1 Homo sapiens 9100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58483782 433933025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135726 CC(C)CN(CCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1)CC(C)C InChI=1S/C25H44N6/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28) KLKKWCPJBTXWOV-UHFFFAOYSA-N 50134471 (1H-Benzoimidazol-2-yl)-{3-[4-(3-diisobutylamino-propyl)-piperazin-1-yl]-propyl}-amine::CHEMBL419432 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10252009 104025033 CHEMBL419432 ZINC27209228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135727 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCCCC1)CN1CCCCC1 InChI=1S/C33H50N4O/c1-6-18-35(19-7-1)24-12-17-34-32-16-15-29(27-33(32)38-26-25-36-20-8-2-9-21-36)31-14-5-4-13-30(31)28-37-22-10-3-11-23-37/h4-5,13-16,27,34H,1-3,6-12,17-26,28H2 MDRFJUZMMFKJPQ-UHFFFAOYSA-N 50465761 CHEMBL4278741 Beta-secretase 1 Homo sapiens 4100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145980947 433933026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135728 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCC2CCCCC2)c1 InChI=1S/C31H47N3O/c1-33(2)25-28-14-7-8-15-29(28)27-16-17-30(32-19-11-22-34-20-9-4-10-21-34)31(24-27)35-23-18-26-12-5-3-6-13-26/h7-8,14-17,24,26,32H,3-6,9-13,18-23,25H2,1-2H3 PVWNPHDOANLYNV-UHFFFAOYSA-N 50465759 CHEMBL4294633 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145993657 433933024 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135729 C(CN1CCCCC1)Oc1cccc(c1)-c1ccccc1 InChI=1S/C19H23NO/c1-3-8-17(9-4-1)18-10-7-11-19(16-18)21-15-14-20-12-5-2-6-13-20/h1,3-4,7-11,16H,2,5-6,12-15H2 KTFWIJYXMMXKLO-UHFFFAOYSA-N 50465760 CHEMBL4287392 Beta-secretase 1 Homo sapiens 13700 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 58483782 433933025 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135730 CC(C)CN(CCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1)CC(C)C InChI=1S/C25H44N6/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28) KLKKWCPJBTXWOV-UHFFFAOYSA-N 50134471 (1H-Benzoimidazol-2-yl)-{3-[4-(3-diisobutylamino-propyl)-piperazin-1-yl]-propyl}-amine::CHEMBL419432 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 10252009 104025033 CHEMBL419432 ZINC27209228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135731 Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 InChI=1S/C25H29ClN4O/c26-20-5-6-22-23(7-8-27-24(22)15-20)28-21-13-18(16-29-9-1-2-10-29)25(31)19(14-21)17-30-11-3-4-12-30/h5-8,13-15,31H,1-4,9-12,16-17H2,(H,27,28) UNJNCKMZXXZIBE-UHFFFAOYSA-N 50460929 CHEMBL167970 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160776 433928194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135732 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCOCC1)CN1CCCCC1 InChI=1S/C32H48N4O2/c1-5-15-34(16-6-1)19-9-14-33-31-13-12-28(26-32(31)38-25-22-35-17-7-2-8-18-35)30-11-4-3-10-29(30)27-36-20-23-37-24-21-36/h3-4,10-13,26,33H,1-2,5-9,14-25,27H2 JFSPQCBHIXWKED-UHFFFAOYSA-N 50465762 CHEMBL4289410 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145987057 433933027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135733 CN1CCN(Cc2ccccc2-c2ccc(NCCCN3CCCCC3)c(OCCN3CCCCC3)c2)CC1 InChI=1S/C33H51N5O/c1-35-21-23-38(24-22-35)28-30-11-4-5-12-31(30)29-13-14-32(34-15-10-20-36-16-6-2-7-17-36)33(27-29)39-26-25-37-18-8-3-9-19-37/h4-5,11-14,27,34H,2-3,6-10,15-26,28H2,1H3 CIIDMKJSFICQOJ-UHFFFAOYSA-N 50465763 CHEMBL4291976 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988521 433933028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135734 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C30H46N4O/c1-32(2)25-27-12-5-6-13-28(27)26-14-15-29(31-16-11-21-33-17-7-3-8-18-33)30(24-26)35-23-22-34-19-9-4-10-20-34/h5-6,12-15,24,31H,3-4,7-11,16-23,25H2,1-2H3 AETJKGSARAIFKB-UHFFFAOYSA-N 50465764 CHEMBL4284107 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145991917 433933029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135735 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCCN2CCCCC2)c1 InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-11-22-34-18-7-3-8-19-34)31(25-27)36-24-12-23-35-20-9-4-10-21-35/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3 DGMZEDVHZAUBCH-UHFFFAOYSA-N 50465765 CHEMBL4284039 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145992571 433933030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135736 CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C29H44N4O/c1-31(2)24-26-11-5-6-12-27(26)25-13-14-28(30-15-20-32-16-7-3-8-17-32)29(23-25)34-22-21-33-18-9-4-10-19-33/h5-6,11-14,23,30H,3-4,7-10,15-22,24H2,1-2H3 HSRNSTPKAZVUJH-UHFFFAOYSA-N 50465766 CHEMBL4291231 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988915 433933031 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135737 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1)CN1CCCCC1 InChI=1S/C27H39N3O/c1-4-11-24(12-5-1)25-13-14-26(28-15-10-20-29-16-6-2-7-17-29)27(23-25)31-22-21-30-18-8-3-9-19-30/h1,4-5,11-14,23,28H,2-3,6-10,15-22H2 QJJRZILWWXMMQK-UHFFFAOYSA-N 50465767 CHEMBL4279482 Beta-secretase 1 Homo sapiens 5200 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979410 433933032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135738 CN(C)Cc1ccccc1-c1cccc(OCCN2CCCCC2)c1 InChI=1S/C22H30N2O/c1-23(2)18-20-9-4-5-12-22(20)19-10-8-11-21(17-19)25-16-15-24-13-6-3-7-14-24/h4-5,8-12,17H,3,6-7,13-16,18H2,1-2H3 QPYQOROYFGTEMI-UHFFFAOYSA-N 50465768 CHEMBL4281005 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981738 433933033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135739 CN(C)Cc1ccn(c1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C28H45N5O/c1-30(2)23-25-12-19-33(24-25)26-10-11-27(29-13-9-18-31-14-5-3-6-15-31)28(22-26)34-21-20-32-16-7-4-8-17-32/h10-12,19,22,24,29H,3-9,13-18,20-21,23H2,1-2H3 CAVBMNQXVQHWNN-UHFFFAOYSA-N 50465769 CHEMBL4279857 Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979423 433933034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135740 Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 InChI=1S/C25H29ClN4O/c26-20-5-6-22-23(7-8-27-24(22)15-20)28-21-13-18(16-29-9-1-2-10-29)25(31)19(14-21)17-30-11-3-4-12-30/h5-8,13-15,31H,1-4,9-12,16-17H2,(H,27,28) UNJNCKMZXXZIBE-UHFFFAOYSA-N 50460929 CHEMBL167970 Beta-secretase 1 Homo sapiens 11200 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160776 433928194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135741 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccc(CN2CCCCC2)cc1)CN1CCCCC1 InChI=1S/C33H50N4O/c1-4-18-35(19-5-1)24-10-17-34-32-16-15-31(27-33(32)38-26-25-36-20-6-2-7-21-36)30-13-11-29(12-14-30)28-37-22-8-3-9-23-37/h11-16,27,34H,1-10,17-26,28H2 VRCXWVOKIOIRNA-UHFFFAOYSA-N 50465756 CHEMBL4282611 Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979768 433933021 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135742 C(CNc1ccc(cc1OCCN1CCCCC1)-c1cccc(CN2CCCCC2)c1)CN1CCCCC1 InChI=1S/C33H50N4O/c1-4-17-35(18-5-1)23-11-16-34-32-15-14-31(27-33(32)38-25-24-36-19-6-2-7-20-36)30-13-10-12-29(26-30)28-37-21-8-3-9-22-37/h10,12-15,26-27,34H,1-9,11,16-25,28H2 DHZLVNXOHIHHEV-UHFFFAOYSA-N 50465758 CHEMBL4285991 Beta-secretase 1 Homo sapiens 4800 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145991995 433933023 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135743 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCOCC1)CN1CCCCC1 InChI=1S/C32H48N4O2/c1-5-15-34(16-6-1)19-9-14-33-31-13-12-28(26-32(31)38-25-22-35-17-7-2-8-18-35)30-11-4-3-10-29(30)27-36-20-23-37-24-21-36/h3-4,10-13,26,33H,1-2,5-9,14-25,27H2 JFSPQCBHIXWKED-UHFFFAOYSA-N 50465762 CHEMBL4289410 Beta-secretase 1 Homo sapiens 4200 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145987057 433933027 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135744 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C30H46N4O/c1-32(2)25-27-12-5-6-13-28(27)26-14-15-29(31-16-11-21-33-17-7-3-8-18-33)30(24-26)35-23-22-34-19-9-4-10-20-34/h5-6,12-15,24,31H,3-4,7-11,16-23,25H2,1-2H3 AETJKGSARAIFKB-UHFFFAOYSA-N 50465764 CHEMBL4284107 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145991917 433933029 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135745 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCCN2CCCCC2)c1 InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-11-22-34-18-7-3-8-19-34)31(25-27)36-24-12-23-35-20-9-4-10-21-35/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3 DGMZEDVHZAUBCH-UHFFFAOYSA-N 50465765 CHEMBL4284039 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145992571 433933030 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135746 CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCN2CCCCC2)c1 InChI=1S/C30H46N4O/c1-32(2)25-27-12-5-6-13-28(27)26-14-15-29(31-16-22-34-19-9-4-10-20-34)30(24-26)35-23-11-21-33-17-7-3-8-18-33/h5-6,12-15,24,31H,3-4,7-11,16-23,25H2,1-2H3 KSRVAJZQMABNMZ-UHFFFAOYSA-N 50465770 CHEMBL4280586 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981718 433933035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135747 CN(C)Cc1ccccc1-c1ccc(NCCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-7-12-22-34-18-8-3-9-19-34)31(25-27)36-24-23-35-20-10-4-11-21-35/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3 ICOMXKVTPPPFIC-UHFFFAOYSA-N 50465753 CHEMBL4290806 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145986652 433933018 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135748 CN(C)Cc1ccccc1-c1cccc(OCCN2CCCCC2)c1 InChI=1S/C22H30N2O/c1-23(2)18-20-9-4-5-12-22(20)19-10-8-11-21(17-19)25-16-15-24-13-6-3-7-14-24/h4-5,8-12,17H,3,6-7,13-16,18H2,1-2H3 QPYQOROYFGTEMI-UHFFFAOYSA-N 50465768 CHEMBL4281005 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981738 433933033 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135749 CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)cc1 InChI=1S/C23H33N3/c1-25(2)19-21-9-4-5-10-23(21)20-11-13-22(14-12-20)24-15-8-18-26-16-6-3-7-17-26/h4-5,9-14,24H,3,6-8,15-19H2,1-2H3 FHRGMALGBACXNK-UHFFFAOYSA-N 50465757 CHEMBL4288906 Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988149 433933022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135750 CN(C)Cc1ccn(c1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C28H45N5O/c1-30(2)23-25-12-19-33(24-25)26-10-11-27(29-13-9-18-31-14-5-3-6-15-31)28(22-26)34-21-20-32-16-7-4-8-17-32/h10-12,19,22,24,29H,3-9,13-18,20-21,23H2,1-2H3 CAVBMNQXVQHWNN-UHFFFAOYSA-N 50465769 CHEMBL4279857 Beta-secretase 1 Homo sapiens 6500 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979423 433933034 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135751 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135752 CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCCN2CCCCC2)c1 InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-23-35-20-9-4-10-21-35)31(25-27)36-24-12-11-22-34-18-7-3-8-19-34/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3 PBAOJRHKNGGZSX-UHFFFAOYSA-N 50465755 CHEMBL4282946 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145980230 433933020 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135753 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) WHTVZRBIWZFKQO-UHFFFAOYSA-N 22985 Aralen::CHEMBL76::CHLOROQUINE PHOSPHATE::Chlorochin::Chloroquine::Chloroquine, 17::med.21724, Compound 8::{4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine Beta-secretase 1 Homo sapiens 12700 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0TX 7ER3,4FGK 2719 49846799 3638 CHEMBL76 DB00608 5535 C07625 ZINC01530861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135754 CN1CCN(Cc2ccccc2-c2ccc(NCCCN3CCCCC3)c(OCCN3CCCCC3)c2)CC1 InChI=1S/C33H51N5O/c1-35-21-23-38(24-22-35)28-30-11-4-5-12-31(30)29-13-14-32(34-15-10-20-36-16-6-2-7-17-36)33(27-29)39-26-25-37-18-8-3-9-19-37/h4-5,11-14,27,34H,2-3,6-10,15-26,28H2,1H3 CIIDMKJSFICQOJ-UHFFFAOYSA-N 50465763 CHEMBL4291976 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988521 433933028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135755 CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCN2CCCCC2)c1 InChI=1S/C30H46N4O/c1-32(2)25-27-12-5-6-13-28(27)26-14-15-29(31-16-22-34-19-9-4-10-20-34)30(24-26)35-23-11-21-33-17-7-3-8-18-33/h5-6,12-15,24,31H,3-4,7-11,16-23,25H2,1-2H3 KSRVAJZQMABNMZ-UHFFFAOYSA-N 50465770 CHEMBL4280586 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981718 433933035 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135756 CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCN2CCCCC2)c1 InChI=1S/C29H44N4O/c1-31(2)24-26-11-5-6-12-27(26)25-13-14-28(30-15-20-32-16-7-3-8-17-32)29(23-25)34-22-21-33-18-9-4-10-19-33/h5-6,11-14,23,30H,3-4,7-10,15-22,24H2,1-2H3 HSRNSTPKAZVUJH-UHFFFAOYSA-N 50465766 CHEMBL4291231 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988915 433933031 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135757 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCCCC1)CN1CCCCC1 InChI=1S/C33H50N4O/c1-6-18-35(19-7-1)24-12-17-34-32-16-15-29(27-33(32)38-26-25-36-20-8-2-9-21-36)31-14-5-4-13-30(31)28-37-22-10-3-11-23-37/h4-5,13-16,27,34H,1-3,6-12,17-26,28H2 MDRFJUZMMFKJPQ-UHFFFAOYSA-N 50465761 CHEMBL4278741 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145980947 433933026 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51135758 C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1)CN1CCCCC1 InChI=1S/C27H39N3O/c1-4-11-24(12-5-1)25-13-14-26(28-15-10-20-29-16-6-2-7-17-29)27(23-25)31-22-21-30-18-8-3-9-19-30/h1,4-5,11-14,23,28H,2-3,6-10,15-22H2 QJJRZILWWXMMQK-UHFFFAOYSA-N 50465767 CHEMBL4279482 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.ejmech.2018.08.092 10.7270/Q2JD50GW 30268822 Gay, M; Evrard, C; Descamps, F; Carato, P; Renault, N; Coevoet, M; Eddarkaoui, S; Baud, C; Larchanché, PE; Buée, L; El Bakali, J; Vingtdeux, V; Sergeant, N; Melnyk, P Universit£ de Lille http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50465767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50465767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979410 433933032 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128528 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C1=NO[C@H]2OCCC[C@@H]12)C(C)C InChI=1S/C30H53N5O9S/c1-16(2)12-21(23(36)13-19(7)26(37)34-24(18(5)6)28(39)31-14-17(3)4)32-27(38)22(15-45(8,41)42)33-29(40)25-20-10-9-11-43-30(20)44-35-25/h16-24,30,36H,9-15H2,1-8H3,(H,31,39)(H,32,38)(H,33,40)(H,34,37)/t19-,20+,21+,22+,23+,24+,30-/m1/s1 YPKPUXCHCUCZMD-JAKOTHEISA-N 50462835 CHEMBL4249165 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145983136 433930100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128529 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C1=NO[C@@H]2OCCC[C@H]12)C(C)C InChI=1S/C30H53N5O9S/c1-16(2)12-21(23(36)13-19(7)26(37)34-24(18(5)6)28(39)31-14-17(3)4)32-27(38)22(15-45(8,41)42)33-29(40)25-20-10-9-11-43-30(20)44-35-25/h16-24,30,36H,9-15H2,1-8H3,(H,31,39)(H,32,38)(H,33,40)(H,34,37)/t19-,20-,21+,22+,23+,24+,30+/m1/s1 YPKPUXCHCUCZMD-QCSAUSCTSA-N 50462836 CHEMBL4239838 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145984450 433930101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128530 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C2=NO[C@H]3OCC[C@@H]23)c1 InChI=1S/C28H36N4O8S/c1-38-20-10-6-9-19(13-20)15-29-16-24(33)22(14-18-7-4-3-5-8-18)30-26(34)23(17-41(2,36)37)31-27(35)25-21-11-12-39-28(21)40-32-25/h3-10,13,21-24,28-29,33H,11-12,14-17H2,1-2H3,(H,30,34)(H,31,35)/t21-,22-,23-,24+,28+/m0/s1 XBFTYIUJDHIRKZ-SXFUUEIQSA-N 50462837 CHEMBL4239247 Beta-secretase 1 Homo sapiens 28758 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145983971 433930102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128531 CSC[C@H](NC(=O)C1=NO[C@@H]2OCC[C@H]12)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C29H51N5O7S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-42-8)32-28(39)24-19-9-10-40-29(19)41-34-24/h15-23,29,35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19-,20+,21+,22+,23+,29+/m1/s1 PSTLLFNQSXWBDJ-JYJSRQELSA-N 50462838 CHEMBL4239092 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145985693 433930103 C03800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128532 CSC[C@H](NC(=O)C1=NO[C@H]2OCC[C@@H]12)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C29H51N5O7S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-42-8)32-28(39)24-19-9-10-40-29(19)41-34-24/h15-23,29,35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19+,20+,21+,22+,23+,29-/m1/s1 PSTLLFNQSXWBDJ-GTTQVDNWSA-N 50462839 CHEMBL4238400 Beta-secretase 1 Homo sapiens 554 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145984198 433930104 C03800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128533 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C1=NO[C@@H]2OCC[C@H]12)C(C)C InChI=1S/C29H51N5O9S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-44(8,40)41)32-28(39)24-19-9-10-42-29(19)43-34-24/h15-23,29,35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19-,20+,21+,22+,23+,29+/m1/s1 PCDYXIWTASWDHZ-JYJSRQELSA-N 50462840 CHEMBL4247466 Beta-secretase 1 Homo sapiens 111 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145983114 433930105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128534 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)C1=NO[C@@H]2OCC[C@H]12)C(C)C InChI=1S/C33H58N6O9/c1-17(2)13-22(24(40)14-20(7)27(41)38-25(19(5)6)29(43)34-15-18(3)4)36-28(42)23(16-35-32(45)47-33(8,9)10)37-30(44)26-21-11-12-46-31(21)48-39-26/h17-25,31,40H,11-16H2,1-10H3,(H,34,43)(H,35,45)(H,36,42)(H,37,44)(H,38,41)/t20-,21-,22+,23+,24+,25+,31+/m1/s1 PYLBUGZKLHPNGY-GAAJZYHYSA-N 50462841 CHEMBL4237697 Beta-secretase 1 Homo sapiens 809 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145986108 433930106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128535 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H]2OCC[C@@H]12)C(C)C InChI=1S/C33H58N6O9/c1-17(2)13-22(24(40)14-20(7)27(41)38-25(19(5)6)29(43)34-15-18(3)4)36-28(42)23(16-35-32(45)47-33(8,9)10)37-30(44)26-21-11-12-46-31(21)48-39-26/h17-25,31,40H,11-16H2,1-10H3,(H,34,43)(H,35,45)(H,36,42)(H,37,44)(H,38,41)/t20-,21+,22+,23+,24+,25+,31-/m1/s1 PYLBUGZKLHPNGY-IETWJJJSSA-N 50462842 CHEMBL4241442 Beta-secretase 1 Homo sapiens 4124 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145983023 433930107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128536 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C2=NO[C@@H]3OCC[C@H]23)c1 InChI=1S/C28H36N4O8S/c1-38-20-10-6-9-19(13-20)15-29-16-24(33)22(14-18-7-4-3-5-8-18)30-26(34)23(17-41(2,36)37)31-27(35)25-21-11-12-39-28(21)40-32-25/h3-10,13,21-24,28-29,33H,11-12,14-17H2,1-2H3,(H,30,34)(H,31,35)/t21-,22+,23+,24-,28+/m1/s1 XBFTYIUJDHIRKZ-SUWSLWCISA-N 50462843 CHEMBL4244219 Beta-secretase 1 Homo sapiens 41126 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145983065 433930108 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128537 CSC[C@H](NC(=O)C1=NO[C@@H]2OCC[C@H]12)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C InChI=1S/C29H51N5O7S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-42-8)32-28(39)24-19-9-10-40-29(19)41-34-24/h15-23,29,35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19-,20+,21+,22+,23+,29+/m1/s1 PSTLLFNQSXWBDJ-JYJSRQELSA-N 50462838 CHEMBL4239092 Beta-secretase 1 Homo sapiens 343 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145985693 433930103 C03800 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51128538 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C1=NO[C@H]2OCC[C@@H]12)C(C)C InChI=1S/C29H51N5O9S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-44(8,40)41)32-28(39)24-19-9-10-42-29(19)43-34-24/h15-23,29,35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19+,20+,21+,22+,23+,29-/m1/s1 PCDYXIWTASWDHZ-GTTQVDNWSA-N 50462844 CHEMBL4251397 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1016/j.bmcl.2018.06.045 10.7270/Q2571FNV 29970308 Ghosh, AK; Ghosh, K; Brindisi, M; Lendy, EK; Yen, YC; Kumaragurubaran, N; Huang, X; Tang, J; Mesecar, AD Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462844&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89836343 433930109 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826790 Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(OC(F)(F)F)ccc12 InChI=1S/C27H17F4N5O/c28-18-6-4-15(5-7-18)23-13-33-25(35-23)17-3-1-2-16(10-17)24-14-34-26(36-24)21-12-32-22-11-19(8-9-20(21)22)37-27(29,30)31/h1-14,32H,(H,33,35)(H,34,36) QKJJRVWABJXAAT-UHFFFAOYSA-N 50259798 CHEMBL4095483 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137654547 404339750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826800 Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12 InChI=1S/C26H17F2N5/c27-18-6-4-15(5-7-18)23-13-30-25(32-23)17-3-1-2-16(10-17)24-14-31-26(33-24)21-12-29-22-11-19(28)8-9-20(21)22/h1-14,29H,(H,30,32)(H,31,33) BITOXBRSWUNVGQ-UHFFFAOYSA-N 50259806 CHEMBL4100768 Beta-secretase 1 Homo sapiens 810 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137662155 404339758 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826802 O=C(Nc1ccccc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12 InChI=1S/C24H18N4O/c29-24(27-18-9-2-1-3-10-18)17-8-6-7-16(13-17)22-15-26-23(28-22)20-14-25-21-12-5-4-11-19(20)21/h1-15,25H,(H,26,28)(H,27,29) MDPUOISWUZKXMJ-UHFFFAOYSA-N 50259800 CHEMBL4062635 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637333 404339752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826803 Fc1ccc2c(c[nH]c2c1)-c1ncc([nH]1)-c1cccc(NC(=O)c2cccnc2)c1 InChI=1S/C23H16FN5O/c24-16-6-7-18-19(12-26-20(18)10-16)22-27-13-21(29-22)14-3-1-5-17(9-14)28-23(30)15-4-2-8-25-11-15/h1-13,26H,(H,27,29)(H,28,30) VSZDISKVTQNKQF-UHFFFAOYSA-N 50259797 CHEMBL4074001 Beta-secretase 1 Homo sapiens 130 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137641223 404339749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826804 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12 InChI=1S/C24H15F2N5/c25-15-4-6-17-18(11-27-20(17)9-15)24-28-12-22(31-24)13-2-1-3-14(8-13)23-29-19-7-5-16(26)10-21(19)30-23/h1-12,27H,(H,28,31)(H,29,30) OJIWNXRQHDHGKU-UHFFFAOYSA-N 50259804 CHEMBL4075051 Beta-secretase 1 Homo sapiens 85 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651107 404339756 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826805 Fc1ccc(NC(=O)c2cccc(c2)-c2cnc([nH]2)-c2c[nH]c3ccccc23)cc1 InChI=1S/C24H17FN4O/c25-17-8-10-18(11-9-17)28-24(30)16-5-3-4-15(12-16)22-14-27-23(29-22)20-13-26-21-7-2-1-6-19(20)21/h1-14,26H,(H,27,29)(H,28,30) SFQDRNVLKSMOHW-UHFFFAOYSA-N 50259801 CHEMBL4092083 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137655111 404339753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826806 O=C(Nc1ccncc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12 InChI=1S/C23H17N5O/c29-23(27-17-8-10-24-11-9-17)16-5-3-4-15(12-16)21-14-26-22(28-21)19-13-25-20-7-2-1-6-18(19)20/h1-14,25H,(H,26,28)(H,24,27,29) MHYVUOOIURXBCN-UHFFFAOYSA-N 50259802 CHEMBL4071284 Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638219 404339754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826809 O=C(Nc1cccnc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12 InChI=1S/C23H17N5O/c29-23(27-17-7-4-10-24-12-17)16-6-3-5-15(11-16)21-14-26-22(28-21)19-13-25-20-9-2-1-8-18(19)20/h1-14,25H,(H,26,28)(H,27,29) UFJMXZSKDQFGNB-UHFFFAOYSA-N 50259805 CHEMBL4065393 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137633338 404339757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826811 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(OC(F)(F)F)ccc12 InChI=1S/C25H15F4N5O/c26-15-4-7-19-21(9-15)33-23(32-19)14-3-1-2-13(8-14)22-12-31-24(34-22)18-11-30-20-10-16(5-6-17(18)20)35-25(27,28)29/h1-12,30H,(H,31,34)(H,32,33) LQXJWGPGXHISOC-UHFFFAOYSA-N 50259799 CHEMBL4078427 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651254 404339751 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50826813 O=C(Nc1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12)c1cccnc1 InChI=1S/C23H17N5O/c29-23(16-6-4-10-24-12-16)27-17-7-3-5-15(11-17)21-14-26-22(28-21)19-13-25-20-9-2-1-8-18(19)20/h1-14,25H,(H,26,28)(H,27,29) ZMWHRFKZIOKHMY-UHFFFAOYSA-N 50259803 CHEMBL4093064 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.ejmech.2016.11.021 10.7270/Q2251MN9 27871037 Tarazi, H; Odeh, RA; Al-Qawasmeh, R; Yousef, IA; Voelter, W; Al-Tel, TH University of Sharjah http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653970 404339755 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827714 C[C@]1(CCSC(N)=N1)c1cc(CNCC2CC2)c(F)cc1F InChI=1S/C16H21F2N3S/c1-16(4-5-22-15(19)21-16)12-6-11(13(17)7-14(12)18)9-20-8-10-2-3-10/h6-7,10,20H,2-5,8-9H2,1H3,(H2,19,21)/t16-/m0/s1 YWBPXKGASACQGY-INIZCTEOSA-N 50259971 CHEMBL4064148 Beta-secretase 1 Homo sapiens 15400 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259971&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637375 404339867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827717 CN(Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)CC(F)(F)F InChI=1S/C15H18F5N3S/c1-14(3-4-24-13(21)22-14)10-5-9(11(16)6-12(10)17)7-23(2)8-15(18,19)20/h5-6H,3-4,7-8H2,1-2H3,(H2,21,22)/t14-/m0/s1 RHXHFXVYZBDQQN-AWEZNQCLSA-N 50259969 CHEMBL4104527 Beta-secretase 1 Homo sapiens 1013 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259969&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137657646 404339865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827719 C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)F)c(F)cc1F InChI=1S/C14H17F4N3S/c1-14(2-3-22-13(19)21-14)9-4-8(6-20-7-12(17)18)10(15)5-11(9)16/h4-5,12,20H,2-3,6-7H2,1H3,(H2,19,21)/t14-/m0/s1 FYKSUJGCXDMRJR-AWEZNQCLSA-N 50259950 CHEMBL4066885 Beta-secretase 1 Homo sapiens 5890 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259950&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137633017 104109945 ZINC40408213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827724 C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1 XKONRMXLBXCJAM-AWEZNQCLSA-N 50259973 CHEMBL4098403 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search P6U 5T1U,5TFT 123132907 404339868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827836 CCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C14H19F2N3S/c1-3-18-8-9-6-10(12(16)7-11(9)15)14(2)4-5-20-13(17)19-14/h6-7,18H,3-5,8H2,1-2H3,(H2,17,19)/t14-/m0/s1 PKEKOGWSIXFEBA-AWEZNQCLSA-N 50259963 CHEMBL4061944 Beta-secretase 1 Homo sapiens 13900 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259963&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637780 404339859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827837 C[C@]1(CCSC(N)=N1)c1cc(CNC23CC(C2)C3)c(F)cc1F InChI=1S/C17H21F2N3S/c1-16(2-3-23-15(20)22-16)12-4-11(13(18)5-14(12)19)9-21-17-6-10(7-17)8-17/h4-5,10,21H,2-3,6-9H2,1H3,(H2,20,22)/t10?,16-,17?/m0/s1 TYGINIZGIMDBFT-KJWVSFLRSA-N 50259974 CHEMBL4102593 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137656577 404339869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827848 C[C@]1(CCSC(N)=N1)c1cc(CNC2CC2)c(F)cc1F InChI=1S/C15H19F2N3S/c1-15(4-5-21-14(18)20-15)11-6-9(8-19-10-2-3-10)12(16)7-13(11)17/h6-7,10,19H,2-5,8H2,1H3,(H2,18,20)/t15-/m0/s1 ORANLJDZFUCKMO-HNNXBMFYSA-N 50259957 CHEMBL4085715 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259957&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137641491 404339854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827855 C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F InChI=1S/C15H18F5N3S/c1-8(15(18,19)20)22-7-9-5-10(12(17)6-11(9)16)14(2)3-4-24-13(21)23-14/h5-6,8,22H,3-4,7H2,1-2H3,(H2,21,23)/t8-,14+/m1/s1 STUTWXRFWQRASH-CLAHSXSESA-N 50259970 CHEMBL4061602 Beta-secretase 1 Homo sapiens 64 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259970&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137635011 404339866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827860 C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F InChI=1S/C16H18F5N3OS/c1-14(2-3-26-13(22)24-14)10-4-9(11(17)5-12(10)18)6-23-15(7-25-8-15)16(19,20)21/h4-5,23H,2-3,6-8H2,1H3,(H2,22,24)/t14-/m0/s1 QAKZCMKEOGZLLP-AWEZNQCLSA-N 50259961 CHEMBL4080380 Beta-secretase 1 Homo sapiens 770 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259961&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137645221 404339857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827863 CC(C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C15H21F2N3S/c1-9(2)19-8-10-6-11(13(17)7-12(10)16)15(3)4-5-21-14(18)20-15/h6-7,9,19H,4-5,8H2,1-3H3,(H2,18,20)/t15-/m0/s1 SLAATTPDVKCXEQ-HNNXBMFYSA-N 50259964 CHEMBL4083698 Beta-secretase 1 Homo sapiens 2 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259964&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137648425 404339860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827865 CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1 JMOHXAUCSPMQGB-HNNXBMFYSA-N 50259954 CHEMBL4094377 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259954&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137653545 404339852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827867 COCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C15H21F2N3OS/c1-15(3-6-22-14(18)20-15)11-7-10(9-19-4-5-21-2)12(16)8-13(11)17/h7-8,19H,3-6,9H2,1-2H3,(H2,18,20)/t15-/m0/s1 MWGLFDPAWCGVCN-HNNXBMFYSA-N 50259966 CHEMBL4092406 Beta-secretase 1 Homo sapiens 6 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259966&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137652983 404339862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827913 Cc1ccc(NCc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)nc1 InChI=1S/C18H20F2N4S/c1-11-3-4-16(22-9-11)23-10-12-7-13(15(20)8-14(12)19)18(2)5-6-25-17(21)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,24)(H,22,23)/t18-/m0/s1 ZZYSRRFOAYTMKM-SFHVURJKSA-N 50259976 CHEMBL4091480 Beta-secretase 1 Homo sapiens 73500 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137654633 404339871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827914 C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C14H16F5N3S/c1-13(2-3-23-12(20)22-13)9-4-8(10(15)5-11(9)16)6-21-7-14(17,18)19/h4-5,21H,2-3,6-7H2,1H3,(H2,20,22)/t13-/m0/s1 OAANHBKIQRWYQJ-ZDUSSCGKSA-N 50259949 CHEMBL4086633 Beta-secretase 1 Homo sapiens 60 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137643369 404339851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827918 CO[C@@H]1CCN(Cc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)C1 InChI=1S/C17H23F2N3OS/c1-17(4-6-24-16(20)21-17)13-7-11(14(18)8-15(13)19)9-22-5-3-12(10-22)23-2/h7-8,12H,3-6,9-10H2,1-2H3,(H2,20,21)/t12-,17+/m1/s1 FSKVGYAMIKBJFU-PXAZEXFGSA-N 50259975 CHEMBL4073296 Beta-secretase 1 Homo sapiens 40800 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137640486 404339870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827919 C[C@]1(CCSC(N)=N1)c1cc(CNCCC(F)(F)F)c(F)cc1F InChI=1S/C15H18F5N3S/c1-14(3-5-24-13(21)23-14)10-6-9(11(16)7-12(10)17)8-22-4-2-15(18,19)20/h6-7,22H,2-5,8H2,1H3,(H2,21,23)/t14-/m0/s1 DCYWNJDSKJXMKI-AWEZNQCLSA-N 50259955 CHEMBL4084170 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259955&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646316 404339853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827924 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1 KXRWMDHPUURSND-USBNGQNGSA-N 160666 US9045498, 8 Beta-secretase 1 Homo sapiens 0.006000 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74B 5T1W 86762648 295369482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827926 CN(C)Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C14H19F2N3S/c1-14(4-5-20-13(17)18-14)10-6-9(8-19(2)3)11(15)7-12(10)16/h6-7H,4-5,8H2,1-3H3,(H2,17,18)/t14-/m0/s1 COYGMPIGIAMZNG-AWEZNQCLSA-N 50259965 CHEMBL4100140 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259965&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137662127 404339861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827928 COC[C@@H](C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C16H23F2N3OS/c1-10(9-22-3)20-8-11-6-12(14(18)7-13(11)17)16(2)4-5-23-15(19)21-16/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,19,21)/t10-,16+/m1/s1 HKFFPSFZJNYNQZ-HWPZZCPQSA-N 50259968 CHEMBL4084653 Beta-secretase 1 Homo sapiens 4 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259968&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137646126 404339864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827956 C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F InChI=1S/C16H18F2N4S/c1-15(4-5-23-14(20)22-15)11-6-10(12(17)7-13(11)18)8-21-16(9-19)2-3-16/h6-7,21H,2-5,8H2,1H3,(H2,20,22)/t15-/m0/s1 YHJPABZBDBCJQX-HNNXBMFYSA-N 50259960 CHEMBL4077211 Beta-secretase 1 Homo sapiens 952 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651451 404339856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827961 C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1 ZQULGQNNJUBPOZ-PSLIRLAXSA-N 50259962 CHEMBL4088234 Beta-secretase 1 Homo sapiens 0.024000 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259962&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search P6M 5TFU 123132915 404339858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827986 COCCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 InChI=1S/C16H23F2N3OS/c1-16(4-7-23-15(19)21-16)12-8-11(13(17)9-14(12)18)10-20-5-3-6-22-2/h8-9,20H,3-7,10H2,1-2H3,(H2,19,21)/t16-/m0/s1 GRUDLDUJVATURL-INIZCTEOSA-N 50259967 CHEMBL4064708 Beta-secretase 1 Homo sapiens 35100 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259967&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137635828 404339863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50827988 C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F InChI=1S/C16H19F4N3S/c1-15(4-5-24-14(21)23-15)10-6-9(11(17)7-12(10)18)8-22-16(2-3-16)13(19)20/h6-7,13,22H,2-5,8H2,1H3,(H2,21,23)/t15-/m0/s1 BZFHYEXJWOLTQN-HNNXBMFYSA-N 50259959 CHEMBL4062728 Beta-secretase 1 Homo sapiens 335 ChEMBL 10.1021/acs.jmedchem.6b01451 10.7270/Q2154KHX 27997172 Butler, CR; Ogilvie, K; Martinez-Alsina, L; Barreiro, G; Beck, EM; Nolan, CE; Atchison, K; Benvenuti, E; Buzon, L; Doran, S; Gonzales, C; Helal, CJ; Hou, X; Hsu, MH; Johnson, EF; Lapham, K; Lanyon, L; Parris, K; O'Neill, BT; Riddell, D; Robshaw, A; Vajdos, F; Brodney, MA The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259959&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137634377 404339855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784425 Cl.CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CC[C@H](CN1)OCC1CCCCC1 InChI=1S/C23H34F2N2O3.ClH/c1-15(28)27-22(11-17-9-18(24)12-19(25)10-17)23(29)21-8-7-20(13-26-21)30-14-16-5-3-2-4-6-16;/h9-10,12,16,20-23,26,29H,2-8,11,13-14H2,1H3,(H,27,28);1H/t20-,21-,22+,23-;/m1./s1 XNTSUUAJWGQAKA-IDWCSQIQSA-N 50250528 CHEMBL4062101 Beta-secretase 1 Homo sapiens 1320 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250528&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637305 401962195 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784426 Cl.C[C@@H]1N[C@H](CO[C@H]1OCC(C)(C)C)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1 PJQGOUVTIKZTOU-QUQQOIKDSA-N 50250536 CHEMBL4077530 Beta-secretase 1 Homo sapiens 90 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11669598 401962200 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784431 Cl.CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 InChI=1S/C27H37N3O3.ClH/c1-3-15-30(16-4-2)27(33)22-12-8-11-21(18-22)26(32)29-24(17-20-9-6-5-7-10-20)25(31)19-28-23-13-14-23;/h5-12,18,23-25,28,31H,3-4,13-17,19H2,1-2H3,(H,29,32);1H/t24-,25+;/m0./s1 PZRURKATEIHBEZ-CLSOAGJSSA-N 50250534 CHEMBL4069747 Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137638295 401962198 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784433 Cl.CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CCCN1 InChI=1S/C27H37N3O3.ClH/c1-3-16-30(17-4-2)27(33)22-13-8-12-21(19-22)26(32)29-24(18-20-10-6-5-7-11-20)25(31)23-14-9-15-28-23;/h5-8,10-13,19,23-25,28,31H,3-4,9,14-18H2,1-2H3,(H,29,32);1H/t23-,24+,25-;/m1./s1 SHBJFWVCFPVGDX-HIYIHDMKSA-N 50250525 CHEMBL4059546 Beta-secretase 1 Homo sapiens 1670 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137637682 401962192 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784434 Cl.CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCC1CCCCC1 InChI=1S/C22H32F2N2O3.ClH/c1-14(27)26-21(9-16-7-17(23)10-18(24)8-16)22(28)20-11-19(12-25-20)29-13-15-5-3-2-4-6-15;/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27);1H/t19-,20-,21+,22-;/m1./s1 KLKCUKNYRHNOHV-YGRUNEGGSA-N 50250535 CHEMBL4092459 Beta-secretase 1 Homo sapiens 800 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137655356 401962199 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784438 Cl.CC[C@H](C)Nc1cc(cc(n1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CCCN1 InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19+,20-,23+;/m0./s1 GBLRRACOKGGFKV-KFRMPOMZSA-N 50250527 CHEMBL4066837 Beta-secretase 1 Homo sapiens 101 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250527&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137634151 401962194 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784439 Cl.CC[C@H](C)Nc1cc(cc(n1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1CCCN1 InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19-,20-,23+;/m0./s1 GBLRRACOKGGFKV-AXLPPOLRSA-N 50250526 CHEMBL4076855 Beta-secretase 1 Homo sapiens >10000000 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137651879 401962193 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784445 OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@H](CN1)OCC1CCCCC1 InChI=1S/C22H32F2N2O4.C2HF3O2/c1-14(27)26-19(9-16-7-17(23)10-18(24)8-16)22(28)20-13-30-21(11-25-20)29-12-15-5-3-2-4-6-15;3-2(4,5)1(6)7/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27);(H,6,7)/t19-,20+,21+,22-;/m0./s1 IMJXMNMVKGTMTI-ITHQHCIYSA-N 50250529 CHEMBL4089395 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250529&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137642336 401962196 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50784451 Cl.C[C@@H]1N[C@H](CO[C@H]1OCC1CCCCC1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O InChI=1S/C23H34F2N2O4.ClH/c1-14-23(30-12-16-6-4-3-5-7-16)31-13-21(26-14)22(29)20(27-15(2)28)10-17-8-18(24)11-19(25)9-17;/h8-9,11,14,16,20-23,26,29H,3-7,10,12-13H2,1-2H3,(H,27,28);1H/t14-,20-,21+,22-,23+;/m0./s1 AIVAMFNNYVSLIS-OYRYOUQPSA-N 50250530 CHEMBL4081363 Beta-secretase 1 Homo sapiens 99 ChEMBL 10.1021/acs.jmedchem.7b01304 10.7270/Q29S1TGX 29088532 Bueno, AB; Agejas, J; Broughton, H; Dally, R; Durham, TB; Espinosa, JF; González, R; Hahn, PJ; Marcos, A; Rodríguez, R; Sanz, G; Soriano, JF; Timm, D; Vidal, P; Yang, HC; McCarthy, JR Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250530&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137648801 401962197 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51144525 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCOCC2)o1 InChI=1S/C25H21ClFN7O4/c26-20-7-1-15(13-19(20)22(35)36)21-8-6-18(38-21)14-28-33-24-30-23(29-17-4-2-16(27)3-5-17)31-25(32-24)34-9-11-37-12-10-34/h1-8,13H,9-12,14H2,(H,35,36)(H,29,30,31,32) YUZREPBNHALMTP-UHFFFAOYSA-N 50320629 2-chloro-5-(5-((2-(4-(4-fluorophenylamino)-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)furan-2-yl)benzoic acid::CHEMBL1164540 Beta-secretase 1 Homo sapiens 7000 ChEMBL 10.1016/j.ejmech.2018.07.042 10.7270/Q26W9DRP 30064119 Marchand, JR; Caflisch, A University of Z£rich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50320629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50320629&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91933478 104142158 CHEMBL1164540 ZINC49808058 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140365 COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+ LPMOTUSFDTTWJL-UDWIEESQSA-N 50280646 2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5,6-dimethoxy-indan-1-one::CHEMBL168938 Beta-secretase 1 Homo sapiens 697 ChEMBL 10.1016/j.ejmech.2018.09.031 10.7270/Q26H4M3Z 30243151 Li, Q; He, S; Chen, Y; Feng, F; Qu, W; Sun, H China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50280646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50280646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DZ7 5NAP 10762160 104122350 CHEMBL168938 ZINC00597028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140376 COc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2ccccc2)CC1 InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+ CNIWTTNRVIMZIP-DEDYPNTBSA-N 50182435 CHEMBL3818084 Beta-secretase 1 Homo sapiens 333 ChEMBL 10.1016/j.ejmech.2018.09.031 10.7270/Q26H4M3Z 30243151 Li, Q; He, S; Chen, Y; Feng, F; Qu, W; Sun, H China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DZ0 5NAU 10521609 346550046 CHEMBL3818084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140746 CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccccc1 InChI=1S/C23H22N2O5/c1-25(2)12-13-29-22(27)11-9-16-8-10-20-18(14-16)19(26)15-21(30-20)23(28)24-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,28)/b11-9+ JCGRBDHQHKNQJU-PKNBQFBNSA-N 50467511 CHEMBL4285714 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2018.07.056 10.7270/Q2F192DM 30245401 Reis, J; Cagide, F; Valencia, ME; Teixeira, J; Bagetta, D; Pérez, C; Uriarte, E; Oliveira, PJ; Ortuso, F; Alcaro, S; Rodríguez-Franco, MI; Borges, F University of Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145991508 433934776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140787 CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1 InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)22-15-20(27)19-14-17(6-10-21(19)31-22)7-11-23(28)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+ JRQGALQTHYTIML-YRNVUSSQSA-N 50467507 CHEMBL4292235 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2018.07.056 10.7270/Q2F192DM 30245401 Reis, J; Cagide, F; Valencia, ME; Teixeira, J; Bagetta, D; Pérez, C; Uriarte, E; Oliveira, PJ; Ortuso, F; Alcaro, S; Rodríguez-Franco, MI; Borges, F University of Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145988532 433934772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140788 CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1 InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)20-15-31-21-10-6-17(14-19(21)23(20)28)7-11-22(27)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+ FIOCFZWNVLEJQA-YRNVUSSQSA-N 50467509 CHEMBL4284235 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2018.07.056 10.7270/Q2F192DM 30245401 Reis, J; Cagide, F; Valencia, ME; Teixeira, J; Bagetta, D; Pérez, C; Uriarte, E; Oliveira, PJ; Ortuso, F; Alcaro, S; Rodríguez-Franco, MI; Borges, F University of Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145989946 433934774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140789 OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 InChI=1S/C19H13NO5/c21-17(22)9-7-12-6-8-16-14(10-12)18(23)15(11-25-16)19(24)20-13-4-2-1-3-5-13/h1-11H,(H,20,24)(H,21,22)/b9-7+ DLWNTPFPPXXHTP-VQHVLOKHSA-N 50467508 CHEMBL4284580 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2018.07.056 10.7270/Q2F192DM 30245401 Reis, J; Cagide, F; Valencia, ME; Teixeira, J; Bagetta, D; Pérez, C; Uriarte, E; Oliveira, PJ; Ortuso, F; Alcaro, S; Rodríguez-Franco, MI; Borges, F University of Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145989961 433934773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51140792 CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 InChI=1S/C23H22N2O5/c1-25(2)12-13-29-21(26)11-9-16-8-10-20-18(14-16)22(27)19(15-30-20)23(28)24-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,28)/b11-9+ LCTAOJAKRLVNOM-PKNBQFBNSA-N 50467518 CHEMBL4286556 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2018.07.056 10.7270/Q2F192DM 30245401 Reis, J; Cagide, F; Valencia, ME; Teixeira, J; Bagetta, D; Pérez, C; Uriarte, E; Oliveira, PJ; Ortuso, F; Alcaro, S; Rodríguez-Franco, MI; Borges, F University of Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145993326 433934783 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142011 COc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1 UKGROMSNWKWCLS-HJPURHCSSA-N 50164512 CHEMBL3800286 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164512 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142012 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1ccc(F)c(c1)C#N InChI=1S/C22H17F2N7OS/c1-30-19(32)16-9-31(21-27-7-15(23)8-28-21)11-22(16,29-20(30)26)18-5-14(10-33-18)12-2-3-17(24)13(4-12)6-25/h2-5,7-8,10,16H,9,11H2,1H3,(H2,26,29)/t16-,22-/m0/s1 RJJQIYMTQCGTNB-AOMKIAJQSA-N 50468036 CHEMBL4286732 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468036 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142018 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)c(n1)N1CCCC1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C26H25FN8OS/c1-33-23(36)19-13-35(25-30-12-20(27)22(31-25)34-7-2-3-8-34)15-26(19,32-24(33)29)21-10-18(14-37-21)17-6-4-5-16(9-17)11-28/h4-6,9-10,12,14,19H,2-3,7-8,13,15H2,1H3,(H2,29,32)/t19-,26-/m0/s1 JVJQSMKMSLCKCB-SIBVEZHUSA-N 50468035 CHEMBL4285940 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468035&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145993306 433935300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142019 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)c(C)n1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H20FN7OS/c1-13-18(24)9-27-22(28-13)31-10-17-20(32)30(2)21(26)29-23(17,12-31)19-7-16(11-33-19)15-5-3-4-14(6-15)8-25/h3-7,9,11,17H,10,12H2,1-2H3,(H2,26,29)/t17-,23-/m0/s1 MGPRPDLGSONHLQ-SBUREZEXSA-N 50468040 CHEMBL4289763 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145987073 433935305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142020 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(Br)cs1 InChI=1S/C15H14BrFN6OS/c1-22-12(24)10-5-23(14-19-3-9(17)4-20-14)7-15(10,21-13(22)18)11-2-8(16)6-25-11/h2-4,6,10H,5,7H2,1H3,(H2,18,21)/t10-,15-/m0/s1 HFCSZAOVLDCJFH-BONVTDFDSA-N 50468041 CHEMBL4282976 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981356 433935306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142021 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1ccc(Cl)c(c1)C#N InChI=1S/C22H17ClFN7OS/c1-30-19(32)16-9-31(21-27-7-15(24)8-28-21)11-22(16,29-20(30)26)18-5-14(10-33-18)12-2-3-17(23)13(4-12)6-25/h2-5,7-8,10,16H,9,11H2,1H3,(H2,26,29)/t16-,22-/m0/s1 KVFQKWRTWGKSCV-AOMKIAJQSA-N 50468042 CHEMBL4294969 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145993573 433935307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142025 CCc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22FN7OS/c1-3-19-18(25)10-28-23(29-19)32-11-17-21(33)31(2)22(27)30-24(17,13-32)20-8-16(12-34-20)15-6-4-5-14(7-15)9-26/h4-8,10,12,17H,3,11,13H2,1-2H3,(H2,27,30)/t17-,24-/m0/s1 SSCPZMVDBVQQMX-XDHUDOTRSA-N 50468044 CHEMBL4279084 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981185 433935309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142026 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cc(F)cc(c1)C#N InChI=1S/C22H17F2N7OS/c1-30-19(32)17-9-31(21-27-7-16(24)8-28-21)11-22(17,29-20(30)26)18-5-14(10-33-18)13-2-12(6-25)3-15(23)4-13/h2-5,7-8,10,17H,9,11H2,1H3,(H2,26,29)/t17-,22-/m0/s1 KFWFBVHLFWYWAY-JTSKRJEESA-N 50468045 CHEMBL4288644 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145991888 433935310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142038 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22FN7O2S/c1-13-19(25)20(34-3)29-23(28-13)32-10-17-21(33)31(2)22(27)30-24(17,12-32)18-8-16(11-35-18)15-6-4-5-14(7-15)9-26/h4-8,11,17H,10,12H2,1-3H3,(H2,27,30)/t17-,24-/m0/s1 CQZIPTUTHCRGDV-XDHUDOTRSA-N 50468037 CHEMBL4293298 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468037&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145989886 433935302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142039 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22FN7OS/c1-13-20(25)14(2)29-23(28-13)32-10-18-21(33)31(3)22(27)30-24(18,12-32)19-8-17(11-34-19)16-6-4-5-15(7-16)9-26/h4-8,11,18H,10,12H2,1-3H3,(H2,27,30)/t18-,24-/m0/s1 LOOFPBQFYLZCOE-UUOWRZLLSA-N 50468043 CHEMBL4288838 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145992760 433935308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142040 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)c(n1)N1CCOCC1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C26H25FN8O2S/c1-33-23(36)19-13-35(25-30-12-20(27)22(31-25)34-5-7-37-8-6-34)15-26(19,32-24(33)29)21-10-18(14-38-21)17-4-2-3-16(9-17)11-28/h2-4,9-10,12,14,19H,5-8,13,15H2,1H3,(H2,29,32)/t19-,26-/m0/s1 QLHYRAZSZFRLNH-SIBVEZHUSA-N 50468046 CHEMBL4278154 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468046&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145982062 433935311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142041 CCCOc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C25H24FN7O2S/c1-3-7-35-21-19(26)11-29-24(30-21)33-12-18-22(34)32(2)23(28)31-25(18,14-33)20-9-17(13-36-20)16-6-4-5-15(8-16)10-27/h4-6,8-9,11,13,18H,3,7,12,14H2,1-2H3,(H2,28,31)/t18-,25-/m0/s1 HCLCCOFJLSBGLZ-BVZFJXPGSA-N 50468047 CHEMBL4278011 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145980015 433935312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142042 CCOc1nc(ncc1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H22FN7O2S/c1-3-34-20-18(25)10-28-23(29-20)32-11-17-21(33)31(2)22(27)30-24(17,13-32)19-8-16(12-35-19)15-6-4-5-14(7-15)9-26/h4-8,10,12,17H,3,11,13H2,1-2H3,(H2,27,30)/t17-,24-/m0/s1 VKZQOAUIZVISCN-XDHUDOTRSA-N 50468038 CHEMBL4294236 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468038&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145994215 433935303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142043 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H19N7OS/c1-28-19(30)17-11-29(21-25-6-3-7-26-21)13-22(17,27-20(28)24)18-9-16(12-31-18)15-5-2-4-14(8-15)10-23/h2-9,12,17H,11,13H2,1H3,(H2,24,27)/t17-,22-/m0/s1 AAWSEFDIDJLXJF-JTSKRJEESA-N 50398696 CHEMBL2178717 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71460877 163347720 CHEMBL2178717 ZINC34787681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142044 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/m0/s1 QDOSQUWDMMMXHC-RDPSFJRHSA-N 50398680 CHEMBL2178150 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15947487 163347704 CHEMBL2178150 ZINC34785853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142045 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C23H19FN6OS/c1-29-21(31)18-11-30(20-6-5-17(24)10-27-20)13-23(18,28-22(29)26)19-8-16(12-32-19)15-4-2-3-14(7-15)9-25/h2-8,10,12,18H,11,13H2,1H3,(H2,26,28)/t18-,23-/m0/s1 CHTLTXJCMNCJSN-MBSDFSHPSA-N 50398687 CHEMBL2178714 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71455427 163347711 CHEMBL2178714 ZINC95574999 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142046 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(Cl)c1 InChI=1S/C21H18ClFN6OS/c1-28-18(30)16-9-29(20-25-7-15(23)8-26-20)11-21(16,27-19(28)24)17-6-13(10-31-17)12-3-2-4-14(22)5-12/h2-8,10,16H,9,11H2,1H3,(H2,24,27)/t16-,21-/m0/s1 CAGCKSBMCARSML-KKSFZXQISA-N 50468048 CHEMBL4280271 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145979438 433935313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142047 CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cc(F)cc(F)c1 InChI=1S/C21H17F3N6OS/c1-29-18(31)16-8-30(20-26-6-15(24)7-27-20)10-21(16,28-19(29)25)17-4-12(9-32-17)11-2-13(22)5-14(23)3-11/h2-7,9,16H,8,10H2,1H3,(H2,25,28)/t16-,21-/m0/s1 WTRKMRFHRMFCOI-KKSFZXQISA-N 50468049 CHEMBL4291347 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145986900 433935314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142048 COc1cc(cc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(=N)N2)c1ncc(F)cn1)C#N InChI=1S/C23H20FN7O2S/c1-30-20(32)18-10-31(22-27-8-16(24)9-28-22)12-23(18,29-21(30)26)19-6-15(11-34-19)14-3-13(7-25)4-17(5-14)33-2/h3-6,8-9,11,18H,10,12H2,1-2H3,(H2,26,29)/t18-,23-/m0/s1 GDMOHIQJNDBNLW-MBSDFSHPSA-N 50468039 CHEMBL4278329 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50468039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50468039&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145981628 433935304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51142049 CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 PTLJUNIICOHEHE-JTSKRJEESA-N 50398693 CHEMBL2178718 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.8b01326 10.7270/Q2VX0K6D 30388368 Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71457203 163347717 CHEMBL2178718 ZINC95576320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51183912 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H60N8O14/c1-18(2)12-24(43-36(57)25(16-29(41)49)45-38(59)32(19(3)4)47-35(56)23(40)15-30(50)51)28(48)13-20(5)33(54)42-21(6)34(55)44-26(17-31(52)53)37(58)46-27(39(60)61)14-22-10-8-7-9-11-22/h7-11,18-21,23-28,32,48H,12-17,40H2,1-6H3,(H2,41,49)(H,42,54)(H,43,57)(H,44,55)(H,45,59)(H,46,58)(H,47,56)(H,50,51)(H,52,53)(H,60,61)/t20-,21+,23+,24+,25+,26+,27+,28+,32+/m1/s1 JCNFYXCBSRPSLY-QYTLZHMISA-N 50380548 CHEMBL2019055 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1007/s00044-011-9885-9 10.7270/Q2ZK5KJ8 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 206031 160859631 CHEMBL2019055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51183913 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C36H57N7O11/c1-18(2)14-24(41-34(51)25(17-28(37)45)42-35(52)30(38)19(3)4)27(44)15-20(5)31(48)39-21(6)32(49)40-23(12-13-29(46)47)33(50)43-26(36(53)54)16-22-10-8-7-9-11-22/h7-11,18-21,23-27,30,44H,12-17,38H2,1-6H3,(H2,37,45)(H,39,48)(H,40,49)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,53,54)/t20-,21+,23+,24+,25+,26+,27+,30+/m1/s1 QLXGCRQIMMFYJL-RJVRHGFWSA-N 16772 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL509188::OM99-1::Val-Asn-LeuAla-Ala-Glu-Phe Beta-secretase 1 Homo sapiens 36 ChEMBL 10.1007/s00044-011-9885-9 10.7270/Q2ZK5KJ8 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918517 46516530 CHEMBL509188 ZINC95613651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51183914 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C39H60N8O14/c1-18(2)12-24(43-36(57)25(16-29(41)49)45-38(59)32(19(3)4)47-35(56)23(40)15-30(50)51)28(48)13-20(5)33(54)42-21(6)34(55)44-26(17-31(52)53)37(58)46-27(39(60)61)14-22-10-8-7-9-11-22/h7-11,18-21,23-28,32,48H,12-17,40H2,1-6H3,(H2,41,49)(H,42,54)(H,43,57)(H,44,55)(H,45,59)(H,46,58)(H,47,56)(H,50,51)(H,52,53)(H,60,61)/t20-,21+,23+,24+,25+,26+,27+,28+,32+/m1/s1 JCNFYXCBSRPSLY-QYTLZHMISA-N 50380548 CHEMBL2019055 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1007/s00044-011-9885-9 10.7270/Q2ZK5KJ8 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 206031 160859631 CHEMBL2019055 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194225 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1 CGFNKFZCIRBOAD-OAHLLOKOSA-N 186055 US9163011, 9 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273898 315658590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194226 COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1 PSPGXNMAHYIESQ-LJQANCHMSA-N 186050 US9163011, 4 Beta-secretase 1 Homo sapiens 100 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71273947 315658585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194227 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1 ZWUWGLTVWPXQQS-MRXNPFEDSA-N 186080 US9163011, 35 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186080&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529465 315658615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194231 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1 LOLRSSGXRIPFCB-OAHLLOKOSA-N 186053 US9163011, 7 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529262 315658588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194232 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1 FKUWIXCLOXGDMB-MRXNPFEDSA-N 186057 US9163011, 11 Beta-secretase 1 Homo sapiens 830 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529265 315658592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194235 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1 PUANGZKWYIUWGX-CQSZACIVSA-N 186075 US9163011, 30 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186075&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71529426 315658610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194236 CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1 VZKPBWICQCZMIB-GOSISDBHSA-N 186049 US9163011, 3 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274016 315658584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194240 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1 XZRLHXIFWZKMCO-MRXNPFEDSA-N 186048 US9163011, 2 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274019 315658583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193118 CCC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C20H18N4O/c1-2-20(24-19(21)17-8-3-4-9-18(17)25-20)16-7-5-6-14(10-16)15-11-22-13-23-12-15/h3-13H,2H2,1H3,(H2,21,24) LBKFHZJTQVZXBJ-UHFFFAOYSA-N 50491221 CHEMBL2380439 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71682752 433958486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193119 CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H15FN4O/c1-19(24-18(21)17-15(20)6-3-7-16(17)25-19)14-5-2-4-12(8-14)13-9-22-11-23-10-13/h2-11H,1H3,(H2,21,24) ASMXERROSSALJP-UHFFFAOYSA-N 50491222 CHEMBL2380440 Beta-secretase 1 Homo sapiens 32000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681468 433958487 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193120 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193121 COc1cccc(c1)-c1cccc(c1)C1(C)N=C(N)CN1C(C)=O InChI=1S/C19H21N3O2/c1-13(23)22-12-18(20)21-19(22,2)16-8-4-6-14(10-16)15-7-5-9-17(11-15)24-3/h4-11H,12H2,1-3H3,(H2,20,21) SQWQHNDHYHUWMQ-UHFFFAOYSA-N 50491224 CHEMBL2380457 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681015 433958489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193123 COc1cccc(c1)-c1cccc(c1)C1(C)OCCC(N)=N1 InChI=1S/C18H20N2O2/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20) KQMBMKYLPGWKDZ-UHFFFAOYSA-N 50491226 CHEMBL2380443 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681471 433958491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193128 COc1ccc(cc1)C1(CCC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H20N4O/c1-26-19-7-5-17(6-8-19)21(10-9-20(22)25-21)18-4-2-3-15(11-18)16-12-23-14-24-13-16/h2-8,11-14H,9-10H2,1H3,(H2,22,25) MLDNPVIFXVSEGX-UHFFFAOYSA-N 50491230 CHEMBL2380458 Beta-secretase 1 Homo sapiens 7900 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54M 4B77 71681166 433958495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193130 COc1cccc(c1)-c1cccc(c1)C1(C)SCC(N)=N1 InChI=1S/C17H18N2OS/c1-17(19-16(18)11-21-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,18,19) HQOFZPLMGHLAJL-UHFFFAOYSA-N 50491227 CHEMBL2380454 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680849 433958492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193131 CCC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C20H18N4O/c1-2-20(24-19(21)17-8-3-4-9-18(17)25-20)16-7-5-6-14(10-16)15-11-22-13-23-12-15/h3-13H,2H2,1H3,(H2,21,24) LBKFHZJTQVZXBJ-UHFFFAOYSA-N 50491221 CHEMBL2380439 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71682752 433958486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193134 COc1ccc(cc1)C1(CCC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H20N4O/c1-26-19-7-5-17(6-8-19)21(10-9-20(22)25-21)18-4-2-3-15(11-18)16-12-23-14-24-13-16/h2-8,11-14H,9-10H2,1H3,(H2,22,25) MLDNPVIFXVSEGX-UHFFFAOYSA-N 50491230 CHEMBL2380458 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 54M 4B77 71681166 433958495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193135 COc1cccc(c1)-c1cccc(c1)C1(C)CSCC(N)=N1 InChI=1S/C18H20N2OS/c1-18(12-22-11-17(19)20-18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)21-2/h3-10H,11-12H2,1-2H3,(H2,19,20) KTKIYDOZUNZLBC-UHFFFAOYSA-N 50491228 CHEMBL2380448 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71683048 433958493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199857 COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1 VDFBMQAUECXNKR-OAQYLSRUSA-N 50226448 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::(R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239857 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C27 2VA7 16040323 104097104 CHEMBL239857 DB07519 ZINC11536247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199858 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2cccc(c2)-c2ccccc2)N=C1N InChI=1S/C20H23N3O.C2HF3O2/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16;3-2(4,5)1(6)7/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22);(H,6,7)/t20-;/m1./s1 CLVLASVJMSNKRY-VEIFNGETSA-N 50493633 CHEMBL2437434 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493633&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73355601 433960898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199859 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(c1)-c1ccsc1 InChI=1S/C19H21N3OS.C2HF3O2/c1-19(10-17(23)22(2)18(20)21-19)16-9-15(16)13-5-3-4-12(8-13)14-6-7-24-11-14;3-2(4,5)1(6)7/h3-8,11,15-16H,9-10H2,1-2H3,(H2,20,21);(H,6,7)/t15-,16+,19-;/m0./s1 HXJXSFNWUJHEAR-YONMQPCQSA-N 50493634 CHEMBL2437438 Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204936 433960899 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199860 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(c1)-c1cccs1 InChI=1S/C19H21N3OS.C2HF3O2/c1-19(11-17(23)22(2)18(20)21-19)15-10-14(15)12-5-3-6-13(9-12)16-7-4-8-24-16;3-2(4,5)1(6)7/h3-9,14-15H,10-11H2,1-2H3,(H2,20,21);(H,6,7)/t14-,15+,19-;/m0./s1 HNMYWOLAXIWYDY-JYRFYKTESA-N 50493635 CHEMBL2437441 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493635&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204935 433960900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199861 OC(=O)C(F)(F)F.CN1C(N)=N[C@@](C)(CC1=O)[C@@H]1C[C@H]1c1cccc(c1)-c1cccc(CO)c1 InChI=1S/C22H25N3O2.C2HF3O2/c1-22(12-20(27)25(2)21(23)24-22)19-11-18(19)17-8-4-7-16(10-17)15-6-3-5-14(9-15)13-26;3-2(4,5)1(6)7/h3-10,18-19,26H,11-13H2,1-2H3,(H2,23,24);(H,6,7)/t18-,19+,22-;/m0./s1 SSVKTQAJNDNGHT-IVQNGODSSA-N 50493636 CHEMBL2437440 Beta-secretase 1 Homo sapiens 20800 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493636&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204761 433960901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199862 OC(=O)C(F)(F)F.CCCOc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@H]1[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C24H29N3O2.C2HF3O2/c1-4-11-29-19-10-6-8-17(13-19)16-7-5-9-18(12-16)20-14-21(20)24(2)15-22(28)27(3)23(25)26-24;3-2(4,5)1(6)7/h5-10,12-13,20-21H,4,11,14-15H2,1-3H3,(H2,25,26);(H,6,7)/t20-,21+,24-;/m0./s1 BMXDWIFTTOJSAB-FKMNGMTRSA-N 50493637 CHEMBL2437446 Beta-secretase 1 Homo sapiens 8400 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493637&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204760 433960902 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199863 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15+;/m1./s1 VIPUWRMLYGNACA-KXPLGKCESA-N 50493638 CHEMBL2437448 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493638&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73352584 433960903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199864 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(N=C1N)[C@@H]1C[C@@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15-;/m1./s1 VIPUWRMLYGNACA-KEMQUXJFSA-N 50493639 CHEMBL2437451 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493639&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72205117 433960904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199865 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(N=C1N)[C@H]1C[C@@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m1./s1 VIPUWRMLYGNACA-UMLIZJHQSA-N 50493640 CHEMBL2437455 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493640&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204940 433960905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199866 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m0./s1 VIPUWRMLYGNACA-SAEKRPGTSA-N 50493641 CHEMBL2437454 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204363 433960906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199867 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1 ZPTMMNXKBDAEFJ-PFEQFJNWSA-N 50493642 CHEMBL2437452 Beta-secretase 1 Homo sapiens 41400 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73351114 433960907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199868 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(c1)-c1ccccc1 InChI=1S/C21H23N3O.C2HF3O2/c1-21(13-19(25)24(2)20(22)23-21)18-12-17(18)16-10-6-9-15(11-16)14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-11,17-18H,12-13H2,1-2H3,(H2,22,23);(H,6,7)/t17-,18+,21-;/m0./s1 UVANSSGIUHVDSB-GGTCQWKLSA-N 50493643 CHEMBL2437442 Beta-secretase 1 Homo sapiens 9300 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493643&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204558 433960908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199869 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(\C=C\c2ccccc2)c1 InChI=1S/C23H25N3O.C2HF3O2/c1-23(15-21(27)26(2)22(24)25-23)20-14-19(20)18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-13,19-20H,14-15H2,1-2H3,(H2,24,25);(H,6,7)/b12-11+;/t19-,20+,23-;/m0./s1 DPGMGYDWSKSUNU-LMMFALHLSA-N 50493644 CHEMBL2437437 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493644&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204939 433960909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199870 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(N=C1N)[C@@H]1C[C@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15+;/m0./s1 VIPUWRMLYGNACA-LHFYREAPSA-N 50493645 CHEMBL2437456 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493645&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204552 433960910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199871 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@H]1C[C@@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15+;/m1./s1 VIPUWRMLYGNACA-LJZXGAKHSA-N 50493646 CHEMBL2437449 Beta-secretase 1 Homo sapiens 132000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493646&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72205116 433960911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199872 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(CCc2ccccc2)c1 InChI=1S/C23H27N3O.C2HF3O2/c1-23(15-21(27)26(2)22(24)25-23)20-14-19(20)18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-10,13,19-20H,11-12,14-15H2,1-2H3,(H2,24,25);(H,6,7)/t19-,20+,23-;/m0./s1 YRTXMTMVCLFETE-JOEGFDNXSA-N 50493647 CHEMBL2437436 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204938 433960912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199873 OC(=O)C(F)(F)F.COc1ccc(cc1)-c1cccc(c1)[C@@H]1C[C@H]1[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C22H25N3O2.C2HF3O2/c1-22(13-20(26)25(2)21(23)24-22)19-12-18(19)16-6-4-5-15(11-16)14-7-9-17(27-3)10-8-14;3-2(4,5)1(6)7/h4-11,18-19H,12-13H2,1-3H3,(H2,23,24);(H,6,7)/t18-,19+,22-;/m0./s1 XXBLABJCHODNSE-IVQNGODSSA-N 50493648 CHEMBL2437445 Beta-secretase 1 Homo sapiens 23300 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493648&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204759 433960913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199874 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m0./s1 VIPUWRMLYGNACA-SAEKRPGTSA-N 50493641 CHEMBL2437454 Beta-secretase 1 Homo sapiens 26800 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493641&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204363 433960906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199875 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(c1)-c1cccc(NC(C)=O)c1 InChI=1S/C23H26N4O2.C2HF3O2/c1-14(28)25-18-9-5-7-16(11-18)15-6-4-8-17(10-15)19-12-20(19)23(2)13-21(29)27(3)22(24)26-23;3-2(4,5)1(6)7/h4-11,19-20H,12-13H2,1-3H3,(H2,24,26)(H,25,28);(H,6,7)/t19-,20+,23-;/m0./s1 ZCBIYDXNKFMKDF-JOEGFDNXSA-N 50493649 CHEMBL2434994 Beta-secretase 1 Homo sapiens 16600 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493649&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204170 433960914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199876 OC(=O)C(F)(F)F.COc1ccccc1-c1cccc(c1)[C@@H]1C[C@H]1[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C22H25N3O2.C2HF3O2/c1-22(13-20(26)25(2)21(23)24-22)18-12-17(18)15-8-6-7-14(11-15)16-9-4-5-10-19(16)27-3;3-2(4,5)1(6)7/h4-11,17-18H,12-13H2,1-3H3,(H2,23,24);(H,6,7)/t17-,18+,22-;/m0./s1 HOINYAKZQIFIRK-HVAUNIHXSA-N 50493650 CHEMBL2437443 Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493650&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204757 433960915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199877 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@H]1C[C@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15-;/m0./s1 VIPUWRMLYGNACA-XIQFXCCNSA-N 50493651 CHEMBL2437450 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204554 433960916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199878 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(CCc2ccccc2)N=C1N InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m0./s1 ZPTMMNXKBDAEFJ-UQKRIMTDSA-N 50493652 CHEMBL2437453 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73346530 433960917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199879 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(N=C1N)[C@H]1C[C@H]1c1ccccc1 InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15+;/m0./s1 VIPUWRMLYGNACA-KBAXVOBLSA-N 50493653 CHEMBL2437447 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204556 433960918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199880 OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1 ZPTMMNXKBDAEFJ-PFEQFJNWSA-N 50493642 CHEMBL2437452 Beta-secretase 1 Homo sapiens 36600 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73351114 433960907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199881 OC(=O)C(F)(F)F.COc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@H]1[C@]1(C)CC(=O)N(C)C(N)=N1 InChI=1S/C22H25N3O2.C2HF3O2/c1-22(13-20(26)25(2)21(23)24-22)19-12-18(19)16-8-4-6-14(10-16)15-7-5-9-17(11-15)27-3;3-2(4,5)1(6)7/h4-11,18-19H,12-13H2,1-3H3,(H2,23,24);(H,6,7)/t18-,19+,22-;/m0./s1 BRMKKLHSPTYYSL-IVQNGODSSA-N 50493654 CHEMBL2437444 Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493654&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204758 433960919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51199882 OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(N=C1N)[C@@H]1C[C@H]1c1cccc(c1)-c1cccnc1 InChI=1S/C20H22N4O.C2HF3O2/c1-20(11-18(25)24(2)19(21)23-20)17-10-16(17)14-6-3-5-13(9-14)15-7-4-8-22-12-15;3-2(4,5)1(6)7/h3-9,12,16-17H,10-11H2,1-2H3,(H2,21,23);(H,6,7)/t16-,17+,20-;/m0./s1 NSOBEZRBPZPFLA-QYOIUNHHSA-N 50493655 CHEMBL2437439 Beta-secretase 1 Homo sapiens 11800 ChEMBL 10.1016/j.bmc.2013.08.036 10.7270/Q25H7K6Q 24051074 Yonezawa, S; Fujiwara, K; Yamamoto, T; Hattori, K; Yamakawa, H; Muto, C; Hosono, M; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50493655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50493655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72204937 433960920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202039 CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 InChI=1S/C36H39N3O6/c1-36(2,3)45-35(43)39(23-26-14-7-4-8-15-26)24-31(40)29-20-13-21-30(22-29)37-33(41)32(28-18-11-6-12-19-28)38-34(42)44-25-27-16-9-5-10-17-27/h4-22,31-32,40H,23-25H2,1-3H3,(H,37,41)(H,38,42)/t31-,32-/m1/s1 GNUADQAMBDJORV-ROJLCIKYSA-N 50494389 CHEMBL3086246 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335236 433961654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202040 CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)c2cccc3ccccc23)c1)Cc1ccccc1 InChI=1S/C31H32N2O4/c1-31(2,3)37-30(36)33(20-22-11-5-4-6-12-22)21-28(34)24-15-9-16-25(19-24)32-29(35)27-18-10-14-23-13-7-8-17-26(23)27/h4-19,28,34H,20-21H2,1-3H3,(H,32,35)/t28-/m0/s1 QHHKHVDYLSMOOG-NDEPHWFRSA-N 50494390 CHEMBL3086251 Beta-secretase 1 Homo sapiens 11000 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76313523 433961655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202041 CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)c2cccc3ccccc23)c1)Cc1ccccc1 InChI=1S/C31H32N2O4/c1-31(2,3)37-30(36)33(20-22-11-5-4-6-12-22)21-28(34)24-15-9-16-25(19-24)32-29(35)27-18-10-14-23-13-7-8-17-26(23)27/h4-19,28,34H,20-21H2,1-3H3,(H,32,35)/t28-/m0/s1 QHHKHVDYLSMOOG-NDEPHWFRSA-N 50494390 CHEMBL3086251 Beta-secretase 1 Homo sapiens >7000 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76313523 433961655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202042 CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)c2cccc3ccccc23)c1)Cc1ccccc1 InChI=1S/C31H32N2O4/c1-31(2,3)37-30(36)33(20-22-11-5-4-6-12-22)21-28(34)24-15-9-16-25(19-24)32-29(35)27-18-10-14-23-13-7-8-17-26(23)27/h4-19,28,34H,20-21H2,1-3H3,(H,32,35)/t28-/m0/s1 QHHKHVDYLSMOOG-NDEPHWFRSA-N 50494390 CHEMBL3086251 Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494390&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76313523 433961655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202043 OC[C@H](Cc1ccccc1)NC[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 InChI=1S/C33H35N3O5/c37-22-29(19-24-11-4-1-5-12-24)34-21-30(38)27-17-10-18-28(20-27)35-32(39)31(26-15-8-3-9-16-26)36-33(40)41-23-25-13-6-2-7-14-25/h1-18,20,29-31,34,37-38H,19,21-23H2,(H,35,39)(H,36,40)/t29-,30-,31-/m0/s1 NWTKRGUFJXSQJQ-CHQNGUEUSA-N 50494391 CHEMBL3086250 Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76317036 433961656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202044 CC(C)(C)OC(=O)N(C[C@H](O)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 InChI=1S/C43H43N3O7/c1-43(2,3)53-42(51)46(27-30-16-8-4-9-17-30)28-37(47)34-24-25-35(39(48)33-22-14-7-15-23-33)36(26-34)44-40(49)38(32-20-12-6-13-21-32)45-41(50)52-29-31-18-10-5-11-19-31/h4-26,37-38,47H,27-29H2,1-3H3,(H,44,49)(H,45,50)/t37-,38-/m0/s1 DMXMUAAYZLCDAF-UWXQCODUSA-N 50494392 CHEMBL3086244 Beta-secretase 1 Homo sapiens 14900 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494392&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335235 433961657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202045 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(-c2ccccc2)c(C=O)c1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1 InChI=1S/C45H44N4O6/c1-45(2,3)55-44(53)49-26-24-48(25-27-49)39-23-22-32(30-14-6-4-7-15-30)37(28-50)41(39)46-42(51)40(31-16-8-5-9-17-31)47-43(52)54-29-38-35-20-12-10-18-33(35)34-19-11-13-21-36(34)38/h4-23,28,38,40H,24-27,29H2,1-3H3,(H,46,51)(H,47,52)/t40-/m0/s1 IOCZWVPNAWVUQA-FAIXQHPJSA-N 50494393 CHEMBL3086242 Beta-secretase 1 Homo sapiens 14800 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494393&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76327955 433961658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202046 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(-c2ccccc2)c2C=N[C@@H](c3ccccc3)C(=O)Nc12 InChI=1S/C30H32N4O3/c1-30(2,3)37-29(36)34-18-16-33(17-19-34)25-15-14-23(21-10-6-4-7-11-21)24-20-31-26(28(35)32-27(24)25)22-12-8-5-9-13-22/h4-15,20,26H,16-19H2,1-3H3,(H,32,35)/t26-/m0/s1 JNFIBUJYPMYKTC-SANMLTNESA-N 50494394 CHEMBL3086238 Beta-secretase 1 Homo sapiens 12800 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494394&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76331607 433961659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202047 CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 InChI=1S/C36H39N3O6/c1-36(2,3)45-35(43)39(23-26-14-7-4-8-15-26)24-31(40)29-20-13-21-30(22-29)37-33(41)32(28-18-11-6-12-19-28)38-34(42)44-25-27-16-9-5-10-17-27/h4-22,31-32,40H,23-25H2,1-3H3,(H,37,41)(H,38,42)/t31-,32-/m1/s1 GNUADQAMBDJORV-ROJLCIKYSA-N 50494389 CHEMBL3086246 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335236 433961654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202048 CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 InChI=1S/C36H39N3O6/c1-36(2,3)45-35(43)39(23-26-14-7-4-8-15-26)24-31(40)29-20-13-21-30(22-29)37-33(41)32(28-18-11-6-12-19-28)38-34(42)44-25-27-16-9-5-10-17-27/h4-22,31-32,40H,23-25H2,1-3H3,(H,37,41)(H,38,42)/t31-,32+/m1/s1 GNUADQAMBDJORV-ZWXJPIIXSA-N 50494395 CHEMBL3086247 Beta-secretase 1 Homo sapiens 5200 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335237 433961660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202049 CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)[C@H](CO)c1ccccc1 InChI=1S/C37H41N3O7/c1-37(2,3)47-36(45)40(31(24-41)27-16-9-5-10-17-27)23-32(42)29-20-13-21-30(22-29)38-34(43)33(28-18-11-6-12-19-28)39-35(44)46-25-26-14-7-4-8-15-26/h4-22,31-33,41-42H,23-25H2,1-3H3,(H,38,43)(H,39,44)/t31-,32+,33+/m1/s1 HYYIBEDCUYICGV-CEUYOYMZSA-N 50494396 CHEMBL3086248 Beta-secretase 1 Homo sapiens 9200 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494396&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76320744 433961661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202050 CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 InChI=1S/C36H39N3O6/c1-36(2,3)45-35(43)39(23-26-14-7-4-8-15-26)24-31(40)29-20-13-21-30(22-29)37-33(41)32(28-18-11-6-12-19-28)38-34(42)44-25-27-16-9-5-10-17-27/h4-22,31-32,40H,23-25H2,1-3H3,(H,37,41)(H,38,42)/t31-,32-/m1/s1 GNUADQAMBDJORV-ROJLCIKYSA-N 50494389 CHEMBL3086246 Beta-secretase 1 Homo sapiens 4700 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494389&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335236 433961654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202051 CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(C=O)c1NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C32H36N4O6/c1-32(2,3)42-31(40)36-19-17-35(18-20-36)26-16-10-15-25(21-37)27(26)33-29(38)28(24-13-8-5-9-14-24)34-30(39)41-22-23-11-6-4-7-12-23/h4-16,21,28H,17-20,22H2,1-3H3,(H,33,38)(H,34,39)/t28-/m0/s1 FJCHXJBOGZKAST-NDEPHWFRSA-N 50494397 CHEMBL3086243 Beta-secretase 1 Homo sapiens 14300 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494397&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76331609 433961662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202052 CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)[C@H](CO)Cc1ccccc1 InChI=1S/C38H43N3O7/c1-38(2,3)48-37(46)41(32(25-42)22-27-14-7-4-8-15-27)24-33(43)30-20-13-21-31(23-30)39-35(44)34(29-18-11-6-12-19-29)40-36(45)47-26-28-16-9-5-10-17-28/h4-21,23,32-34,42-43H,22,24-26H2,1-3H3,(H,39,44)(H,40,45)/t32-,33-,34-/m0/s1 FLEBPNFYCLAFSM-AFEGWXKPSA-N 50494398 CHEMBL3086249 Beta-secretase 1 Homo sapiens 6400 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494398&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76320745 433961663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51202053 CC(C)(C)OC(=O)N(C[C@H](O)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 InChI=1S/C43H43N3O7/c1-43(2,3)53-42(51)46(27-30-16-8-4-9-17-30)28-37(47)34-24-25-35(39(48)33-22-14-7-15-23-33)36(26-34)44-40(49)38(32-20-12-6-13-21-32)45-41(50)52-29-31-18-10-5-11-19-31/h4-26,37-38,47H,27-29H2,1-3H3,(H,44,49)(H,45,50)/t37-,38+/m0/s1 DMXMUAAYZLCDAF-QPPIDDCLSA-N 50494399 CHEMBL3086245 Beta-secretase 1 Homo sapiens 18100 ChEMBL 10.1016/j.ejmech.2013.09.056 10.7270/Q29026Q2 24158015 Butini, S; Gabellieri, E; Brindisi, M; Giovani, S; Maramai, S; Kshirsagar, G; Guarino, E; Brogi, S; La Pietra, V; Giustiniano, M; Marinelli, L; Novellino, E; Campiani, G; Cappelli, A; Gemma, S University of Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76309803 433961664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193137 CC1(SCCC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C15H16N4S/c1-15(19-14(16)5-6-20-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19) JSYIAPKPQCPSGC-UHFFFAOYSA-N 50491232 CHEMBL2380445 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681634 433958497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193138 COc1cccc(c1)-c1cccc(c1)C1(C)OCCC(N)=N1 InChI=1S/C18H20N2O2/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20) KQMBMKYLPGWKDZ-UHFFFAOYSA-N 50491226 CHEMBL2380443 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681471 433958491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193139 COc1ccc(cc1)C1(N=C(N)c2nc(C)sc12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19N5OS/c1-14-27-20-21(30-14)23(28-22(20)24,17-6-8-19(29-2)9-7-17)18-5-3-4-15(10-18)16-11-25-13-26-12-16/h3-13H,1-2H3,(H2,24,28) YQFNSFOVYAQJAF-UHFFFAOYSA-N 50491233 CHEMBL2380450 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2FB 4B72 71680688 433958498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193140 CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23) PTJBVABYDJDHNC-UHFFFAOYSA-N 50491234 CHEMBL2380438 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681316 433958499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193141 COc1cccc(c1)-c1cccc(c1)C1(SCC(N)=N1)c1ccncc1 InChI=1S/C21H19N3OS/c1-25-19-7-3-5-16(13-19)15-4-2-6-18(12-15)21(24-20(22)14-26-21)17-8-10-23-11-9-17/h2-13H,14H2,1H3,(H2,22,24) PEXWMBKSLYMVGI-UHFFFAOYSA-N 50491235 CHEMBL2380456 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681010 433958500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193142 COc1cccc(c1)-c1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C18H20N2OS/c1-18(9-10-22-17(19)20-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20) XMHWIBGIDNZGAB-UHFFFAOYSA-N 50491236 CHEMBL2380449 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680685 433958501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193143 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193144 CC1(Sc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H16N4S/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23) LDYSTRCMWIEPSN-UHFFFAOYSA-N 50491237 CHEMBL2380442 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71682893 433958502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193145 COc1ccc(cc1)C1(N=C(N)n2nc(C)cc12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H20N6O/c1-15-10-21-23(27-22(24)29(21)28-15,18-6-8-20(30-2)9-7-18)19-5-3-4-16(11-19)17-12-25-14-26-13-17/h3-14H,1-2H3,(H2,24,27) RUUJDLSJAYXIRG-UHFFFAOYSA-N 50491238 CHEMBL2380451 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680844 433958503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193146 COc1cccc(c1)-c1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C18H20N2O2/c1-18(12-22-11-17(19)20-18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)21-2/h3-10H,11-12H2,1-2H3,(H2,19,20) UJJUBYHHIWOWQJ-UHFFFAOYSA-N 50491229 CHEMBL2380447 Beta-secretase 1 Homo sapiens 200 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71683044 433958494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193150 C[C@@]1(N=C(N)[C@@H]2CCCCN12)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C19H21FN4/c1-19(23-18(21)17-7-2-3-8-24(17)19)15-6-4-5-13(9-15)14-10-16(20)12-22-11-14/h4-6,9-12,17H,2-3,7-8H2,1H3,(H2,21,23)/t17-,19-/m0/s1 LXQPUHUACOXCSI-HKUYNNGSSA-N 50491240 CHEMBL2380452 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680846 433958505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193152 C[C@@]1(N=C(N)[C@H]2CCCCN12)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C19H21FN4/c1-19(23-18(21)17-7-2-3-8-24(17)19)15-6-4-5-13(9-15)14-10-16(20)12-22-11-14/h4-6,9-12,17H,2-3,7-8H2,1H3,(H2,21,23)/t17-,19+/m1/s1 LXQPUHUACOXCSI-MJGOQNOKSA-N 50491241 CHEMBL2380453 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681636 433958506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193153 CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H16FN3O/c1-20(24-19(22)18-16(21)8-3-9-17(18)25-20)15-7-2-5-13(11-15)14-6-4-10-23-12-14/h2-12H,1H3,(H2,22,24) IOXZOQBTPNNBOY-UHFFFAOYSA-N 50491242 CHEMBL2380441 Beta-secretase 1 Homo sapiens 32000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681469 433958507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193156 COc1cccc(c1)-c1cccc(c1)C1(SCC(N)=N1)c1ccncc1 InChI=1S/C21H19N3OS/c1-25-19-7-3-5-16(13-19)15-4-2-6-18(12-15)21(24-20(22)14-26-21)17-8-10-23-11-9-17/h2-13H,14H2,1H3,(H2,22,24) PEXWMBKSLYMVGI-UHFFFAOYSA-N 50491235 CHEMBL2380456 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681010 433958500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193157 COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H19N3OS/c1-25-19-9-7-17(8-10-19)21(24-20(22)14-26-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24) JFLAZALMCCYJTK-UHFFFAOYSA-N 50491239 CHEMBL2380455 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681009 433958504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193158 COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C21H19N3OS/c1-25-19-9-7-17(8-10-19)21(24-20(22)14-26-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24) JFLAZALMCCYJTK-UHFFFAOYSA-N 50491239 CHEMBL2380455 Beta-secretase 1 Homo sapiens 400 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681009 433958504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193159 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193160 C[C@@]1(N=C(N)[C@@H]2CCCCN12)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C19H21FN4/c1-19(23-18(21)17-7-2-3-8-24(17)19)15-6-4-5-13(9-15)14-10-16(20)12-22-11-14/h4-6,9-12,17H,2-3,7-8H2,1H3,(H2,21,23)/t17-,19-/m0/s1 LXQPUHUACOXCSI-HKUYNNGSSA-N 50491240 CHEMBL2380452 Beta-secretase 1 Homo sapiens 500 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680846 433958505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193161 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193162 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193163 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193165 COc1cccc(c1)-c1cccc(c1)C1(C)SCCC(N)=N1 InChI=1S/C18H20N2OS/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20) CCSFGKCXOLFWQZ-UHFFFAOYSA-N 50491225 CHEMBL2380446 Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681635 433958490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193166 CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H16N4O/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23) UDZOLWLMXRBGHJ-UHFFFAOYSA-N 50491231 CHEMBL2380461 Beta-secretase 1 Homo sapiens 1000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681315 433958496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193167 COc1ccc(cc1)C1(N=C(N)n2nc(C)cc12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H20N6O/c1-15-10-21-23(27-22(24)29(21)28-15,18-6-8-20(30-2)9-7-18)19-5-3-4-16(11-19)17-12-25-14-26-13-17/h3-14H,1-2H3,(H2,24,27) RUUJDLSJAYXIRG-UHFFFAOYSA-N 50491238 CHEMBL2380451 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680844 433958503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193168 COc1cccc(c1)-c1cccc(c1)C1(C)SCCC(N)=N1 InChI=1S/C18H20N2OS/c1-18(20-17(19)9-10-22-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20) CCSFGKCXOLFWQZ-UHFFFAOYSA-N 50491225 CHEMBL2380446 Beta-secretase 1 Homo sapiens 630 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681635 433958490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193169 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193170 COc1cccc(c1)-c1cccc(c1)C1(C)CSCC(N)=N1 InChI=1S/C18H20N2OS/c1-18(12-22-11-17(19)20-18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)21-2/h3-10H,11-12H2,1-2H3,(H2,19,20) KTKIYDOZUNZLBC-UHFFFAOYSA-N 50491228 CHEMBL2380448 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71683048 433958493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193171 COc1ccc(cc1)C1(N=C(N)c2nc(C)sc12)c1cccc(c1)-c1cncnc1 InChI=1S/C23H19N5OS/c1-14-27-20-21(30-14)23(28-22(20)24,17-6-8-19(29-2)9-7-17)18-5-3-4-15(10-18)16-11-25-13-26-12-16/h3-13H,1-2H3,(H2,24,28) YQFNSFOVYAQJAF-UHFFFAOYSA-N 50491233 CHEMBL2380450 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2FB 4B72 71680688 433958498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193173 CC1(Sc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H16N4S/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23) LDYSTRCMWIEPSN-UHFFFAOYSA-N 50491237 CHEMBL2380442 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71682893 433958502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193175 COc1cccc(c1)-c1cccc(c1)C1(C)SCC(N)=N1 InChI=1S/C17H18N2OS/c1-17(19-16(18)11-21-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,18,19) HQOFZPLMGHLAJL-UHFFFAOYSA-N 50491227 CHEMBL2380454 Beta-secretase 1 Homo sapiens 7900 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680849 433958492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193177 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193178 CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H16FN3O/c1-20(24-19(22)18-16(21)8-3-9-17(18)25-20)15-7-2-5-13(11-15)14-6-4-10-23-12-14/h2-12H,1H3,(H2,22,24) IOXZOQBTPNNBOY-UHFFFAOYSA-N 50491242 CHEMBL2380441 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681469 433958507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193179 COc1cccc(c1)-c1cccc(c1)C1(C)CCSC(N)=N1 InChI=1S/C18H20N2OS/c1-18(9-10-22-17(19)20-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20) XMHWIBGIDNZGAB-UHFFFAOYSA-N 50491236 CHEMBL2380449 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71680685 433958501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193181 CC1(SCCC(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C15H16N4S/c1-15(19-14(16)5-6-20-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19) JSYIAPKPQCPSGC-UHFFFAOYSA-N 50491232 CHEMBL2380445 Beta-secretase 1 Homo sapiens 40 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681634 433958497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193182 CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H16N4O/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23) UDZOLWLMXRBGHJ-UHFFFAOYSA-N 50491231 CHEMBL2380461 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681315 433958496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193183 CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C17H17ClN2O/c1-17(20-16(19)8-9-21-17)14-6-2-4-12(10-14)13-5-3-7-15(18)11-13/h2-7,10-11H,8-9H2,1H3,(H2,19,20) DAWFJSNCVYTRMO-UHFFFAOYSA-N 50491243 CHEMBL2380444 Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search WM9 4B70 71681473 433958508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193184 CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cncnc1 InChI=1S/C19H15FN4O/c1-19(24-18(21)17-15(20)6-3-7-16(17)25-19)14-5-2-4-12(8-14)13-9-22-11-23-10-13/h2-11H,1H3,(H2,21,24) ASMXERROSSALJP-UHFFFAOYSA-N 50491222 CHEMBL2380440 Beta-secretase 1 Homo sapiens 5000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681468 433958487 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193185 CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 InChI=1S/C17H17ClN2O/c1-17(20-16(19)8-9-21-17)14-6-2-4-12(10-14)13-5-3-7-15(18)11-13/h2-7,10-11H,8-9H2,1H3,(H2,19,20) DAWFJSNCVYTRMO-UHFFFAOYSA-N 50491243 CHEMBL2380444 Beta-secretase 1 Homo sapiens 790 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search WM9 4B70 71681473 433958508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193186 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193187 CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cccnc1 InChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23) PTJBVABYDJDHNC-UHFFFAOYSA-N 50491234 CHEMBL2380438 Beta-secretase 1 Homo sapiens 25000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681316 433958499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193188 C[C@@]1(N=C(N)[C@H]2CCCCN12)c1cccc(c1)-c1cncc(F)c1 InChI=1S/C19H21FN4/c1-19(23-18(21)17-7-2-3-8-24(17)19)15-6-4-5-13(9-15)14-10-16(20)12-22-11-14/h4-6,9-12,17H,2-3,7-8H2,1H3,(H2,21,23)/t17-,19+/m1/s1 LXQPUHUACOXCSI-MJGOQNOKSA-N 50491241 CHEMBL2380453 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71681636 433958506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193190 COc1cccc(c1)-c1cccc(c1)C1(C)COCC(N)=N1 InChI=1S/C18H20N2O2/c1-18(12-22-11-17(19)20-18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)21-2/h3-10H,11-12H2,1-2H3,(H2,19,20) UJJUBYHHIWOWQJ-UHFFFAOYSA-N 50491229 CHEMBL2380447 Beta-secretase 1 Homo sapiens 3200 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71683044 433958494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193192 COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H23N3O2/c1-27-20-10-8-18(9-11-20)23(14-21(28-2)22(24)26-23)19-7-3-5-16(13-19)17-6-4-12-25-15-17/h3-13,15,21H,14H2,1-2H3,(H2,24,26) XBWQSEBJKSPBBV-UHFFFAOYSA-N 50491223 CHEMBL2380459 Beta-secretase 1 Homo sapiens 40000 ChEMBL 10.1021/jm3011349 10.7270/Q2MS3WP0 23126626 Ginman, T; Viklund, J; Malmström, J; Blid, J; Emond, R; Forsblom, R; Johansson, A; Kers, A; Lake, F; Sehgelmeble, F; Sterky, KJ; Bergh, M; Lindgren, A; Johansson, P; Jeppsson, F; Fälting, J; Gravenfors, Y; Rahm, F AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KGG 4B78 71681318 433958488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51195388 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/jm301659n 10.7270/Q2KK9FQZ 23509904 Yuan, J; Venkatraman, S; Zheng, Y; McKeever, BM; Dillard, LW; Singh, SB Vitae Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51195389 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1 QJAPFAZHNSZLJE-CWURXVSKSA-N 16271 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadecan-7-yl]formamido}octanamide::amide-urethane derived inhibitor 2c Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/jm301659n 10.7270/Q2KK9FQZ 23509904 Yuan, J; Venkatraman, S; Zheng, Y; McKeever, BM; Dillard, LW; Singh, SB Vitae Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MMI 1XS7 449218 46516345 ZINC28353688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193220 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(Cc2ccccc2)c1 InChI=1S/C21H21N3O/c1-24-20(25)13-19(23-21(24)22)18-12-17(18)16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11,13,17-18H,10,12H2,1H3,(H2,22,23)/t17-,18-/m0/s1 DEBXKIUSBUVPMM-ROUUACIJSA-N 50491259 CHEMBL2381679 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614889 433958524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193221 COc1cncc(n1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C19H19N5O2/c1-24-18(25)8-15(23-19(24)20)14-7-13(14)11-4-3-5-12(6-11)16-9-21-10-17(22-16)26-2/h3-6,8-10,13-14H,7H2,1-2H3,(H2,20,23)/t13-,14-/m0/s1 FBAQNBBLQHZCSK-KBPBESRZSA-N 50491260 CHEMBL2381678 Beta-secretase 1 Homo sapiens 84900 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614888 433958525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193222 CSc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3OS/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 PNWFQVJDHDEISM-ROUUACIJSA-N 50491261 CHEMBL2381580 Beta-secretase 1 Homo sapiens 47500 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614690 433958526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193223 Cc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O/c1-13-5-3-6-14(9-13)15-7-4-8-16(10-15)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 NHDNZGVSBIDYEI-ROUUACIJSA-N 50491262 CHEMBL2381579 Beta-secretase 1 Homo sapiens 74900 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614689 433958527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193224 Cc1cccc(CCc2cccc(c2)[C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)c1 InChI=1S/C23H25N3O/c1-15-5-3-6-16(11-15)9-10-17-7-4-8-18(12-17)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h3-8,11-12,14,19-20H,9-10,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1 QHOPONIHQQDBSQ-PMACEKPBSA-N 50491263 CHEMBL2381574 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71615089 433958528 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193225 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(\C=C\c2ccccc2)c1 InChI=1S/C22H21N3O/c1-25-21(26)14-20(24-22(25)23)19-13-18(19)17-9-5-8-16(12-17)11-10-15-6-3-2-4-7-15/h2-12,14,18-19H,13H2,1H3,(H2,23,24)/b11-10+/t18-,19-/m0/s1 UCQZIIHWMIDKQX-MIMFYIINSA-N 50491264 CHEMBL2381682 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614891 433958529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193226 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(CCCc2ccccc2)c1 InChI=1S/C23H25N3O/c1-26-22(27)15-21(25-23(26)24)20-14-19(20)18-12-6-11-17(13-18)10-5-9-16-7-3-2-4-8-16/h2-4,6-8,11-13,15,19-20H,5,9-10,14H2,1H3,(H2,24,25)/t19-,20-/m0/s1 UDYPOCUTBUCGDW-PMACEKPBSA-N 50491265 CHEMBL2381681 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614890 433958530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193227 COc1ccc(cc1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-5-3-4-14(10-15)13-6-8-16(26-2)9-7-13/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 KRWJUTWRMICORD-ROUUACIJSA-N 50491266 CHEMBL2381677 Beta-secretase 1 Homo sapiens 30800 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614887 433958531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193228 COc1cccc(CCc2cccc(c2)[C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)c1 InChI=1S/C23H25N3O2/c1-26-22(27)14-21(25-23(26)24)20-13-19(20)17-7-3-5-15(11-17)9-10-16-6-4-8-18(12-16)28-2/h3-8,11-12,14,19-20H,9-10,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1 RJIQGIMBNQWHJB-PMACEKPBSA-N 50491267 CHEMBL2381576 Beta-secretase 1 Homo sapiens 100000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71615091 433958532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193229 Cn1c(N)nc(CCc2cccc(CCc3ccccc3)c2)cc1=O InChI=1S/C21H23N3O/c1-24-20(25)15-19(23-21(24)22)13-12-18-9-5-8-17(14-18)11-10-16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,22,23) WPQBHHHULVGOKN-UHFFFAOYSA-N 50491268 CHEMBL2381577 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71615092 433958533 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193230 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)-c1cccc(N)c1 InChI=1S/C20H20N4O/c1-24-19(25)11-18(23-20(24)22)17-10-16(17)14-6-2-4-12(8-14)13-5-3-7-15(21)9-13/h2-9,11,16-17H,10,21H2,1H3,(H2,22,23)/t16-,17-/m0/s1 XROBKROMWYJWCM-IRXDYDNUSA-N 50491269 CHEMBL2381675 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614885 433958534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193231 CCOc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H23N3O2/c1-3-27-17-9-5-7-15(11-17)14-6-4-8-16(10-14)18-12-19(18)20-13-21(26)25(2)22(23)24-20/h4-11,13,18-19H,3,12H2,1-2H3,(H2,23,24)/t18-,19-/m0/s1 OIXKIOXZFPDZFR-OALUTQOASA-N 50491270 CHEMBL2381578 Beta-secretase 1 Homo sapiens 39400 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614688 433958535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193232 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)-c1cccc(F)c1 InChI=1S/C20H18FN3O/c1-24-19(25)11-18(23-20(24)22)17-10-16(17)14-6-2-4-12(8-14)13-5-3-7-15(21)9-13/h2-9,11,16-17H,10H2,1H3,(H2,22,23)/t16-,17-/m0/s1 MOFDBRQYFHQKMN-IRXDYDNUSA-N 50491271 CHEMBL2381676 Beta-secretase 1 Homo sapiens 72400 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614886 433958536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193233 Cc1ccc(CCc2cccc(c2)[C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)cc1 InChI=1S/C23H25N3O/c1-15-6-8-16(9-7-15)10-11-17-4-3-5-18(12-17)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1 RIMIWCUOCDENIJ-PMACEKPBSA-N 50491272 CHEMBL2381575 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71615090 433958537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193234 CN(C)c1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C22H24N4O/c1-25(2)17-9-5-7-15(11-17)14-6-4-8-16(10-14)18-12-19(18)20-13-21(27)26(3)22(23)24-20/h4-11,13,18-19H,12H2,1-3H3,(H2,23,24)/t18-,19-/m0/s1 BQQQVZOHJPVMEB-OALUTQOASA-N 50491273 CHEMBL2381581 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71614691 433958538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193235 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)C#Cc1ccccc1 InChI=1S/C22H19N3O/c1-25-21(26)14-20(24-22(25)23)19-13-18(19)17-9-5-8-16(12-17)11-10-15-6-3-2-4-7-15/h2-9,12,14,18-19H,13H2,1H3,(H2,23,24)/t18-,19-/m0/s1 XZBJZXIRQFLKGS-OALUTQOASA-N 50491274 CHEMBL2381572 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71615087 433958539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193236 Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(CCc2ccccc2)c1 InChI=1S/C22H23N3O/c1-25-21(26)14-20(24-22(25)23)19-13-18(19)17-9-5-8-16(12-17)11-10-15-6-3-2-4-7-15/h2-9,12,14,18-19H,10-11,13H2,1H3,(H2,23,24)/t18-,19-/m0/s1 VBTBIYJAFVVTKZ-OALUTQOASA-N 50491275 CHEMBL2381680 Beta-secretase 1 Homo sapiens 22200 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71572417 433958540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51193237 Cc1ccccc1CCc1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 InChI=1S/C23H25N3O/c1-15-6-3-4-8-17(15)11-10-16-7-5-9-18(12-16)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1 BHYJBJADXMKFPI-PMACEKPBSA-N 50491276 CHEMBL2381573 Beta-secretase 1 Homo sapiens 120000 ChEMBL 10.1016/j.bmcl.2013.03.056 10.7270/Q23T9M5X 23562056 Yonezawa, S; Yamakawa, H; Muto, C; Hosono, M; Yamamoto, T; Hattori, K; Sakagami, M; Togame, H; Tanaka, Y; Nakano, T; Takemoto, H; Arisawa, M; Shuto, S Shionogi & Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50491276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50491276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71615088 433958541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51201110 Cc1csc(NC(=O)C2=C(C)NC(C)=C(C2c2ccco2)C(=O)Nc2nc(C)cs2)n1 InChI=1S/C21H21N5O3S2/c1-10-8-30-20(22-10)25-18(27)15-12(3)24-13(4)16(17(15)14-6-5-7-29-14)19(28)26-21-23-11(2)9-31-21/h5-9,17,24H,1-4H3,(H,22,25,27)(H,23,26,28) AARJXZHQDZOZNY-UHFFFAOYSA-N 50494041 CHEMBL2443370 Beta-secretase 1 Homo sapiens 6780 ChEMBL 10.1016/j.bmc.2013.09.033 10.7270/Q2HQ42V2 24113238 Razzaghi-Asl, N; Firuzi, O; Hemmateenejad, B; Javidnia, K; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72697998 433961306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51201111 CC1=C(C(C(C(=O)Nc2nc3ccccc3s2)=C(C)N1)c1ccccc1[N+]([O-])=O)C(=O)Nc1nc2ccccc2s1 InChI=1S/C29H22N6O4S2/c1-15-23(26(36)33-28-31-18-10-4-7-13-21(18)40-28)25(17-9-3-6-12-20(17)35(38)39)24(16(2)30-15)27(37)34-29-32-19-11-5-8-14-22(19)41-29/h3-14,25,30H,1-2H3,(H,31,33,36)(H,32,34,37) GOUFYFHFZLVZCB-UHFFFAOYSA-N 50494042 CHEMBL2443380 Beta-secretase 1 Homo sapiens 4270 ChEMBL 10.1016/j.bmc.2013.09.033 10.7270/Q2HQ42V2 24113238 Razzaghi-Asl, N; Firuzi, O; Hemmateenejad, B; Javidnia, K; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72698148 433961307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51201112 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C40H63N9O13/c1-20(2)16-27(46-38(59)28(18-30(42)50)47-39(60)33(21(3)4)49-35(56)25(41)12-14-31(51)52)37(58)44-22(5)19-43-23(6)34(55)45-26(13-15-32(53)54)36(57)48-29(40(61)62)17-24-10-8-7-9-11-24/h7-11,20-23,25-29,33,43H,12-19,41H2,1-6H3,(H2,42,50)(H,44,58)(H,45,55)(H,46,59)(H,47,60)(H,48,57)(H,49,56)(H,51,52)(H,53,54)(H,61,62)/t22-,23-,25-,26-,27-,28-,29-,33-/m0/s1 MYLKHFCVGCNZEA-HYMXPJNISA-N 50494043 CHEMBL2443369 Beta-secretase 1 Homo sapiens 3.00 ChEMBL 10.1016/j.bmc.2013.09.033 10.7270/Q2HQ42V2 24113238 Razzaghi-Asl, N; Firuzi, O; Hemmateenejad, B; Javidnia, K; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73354162 433961308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51201113 Cc1csc(NC(=O)C2=C(C)NC(C)=C(C2c2ccccc2[N+]([O-])=O)C(=O)Nc2nc(C)cs2)n1 InChI=1S/C23H22N6O4S2/c1-11-9-34-22(24-11)27-20(30)17-13(3)26-14(4)18(21(31)28-23-25-12(2)10-35-23)19(17)15-7-5-6-8-16(15)29(32)33/h5-10,19,26H,1-4H3,(H,24,27,30)(H,25,28,31) IVXCNRHTQLUUGE-UHFFFAOYSA-N 50494044 CHEMBL2440151 Beta-secretase 1 Homo sapiens 4660 ChEMBL 10.1016/j.bmc.2013.09.033 10.7270/Q2HQ42V2 24113238 Razzaghi-Asl, N; Firuzi, O; Hemmateenejad, B; Javidnia, K; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494044&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72696067 433961309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51201114 Cc1csc(NC(=O)C2=C(C)NC(C)=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)Nc2nc(C)cs2)n1 InChI=1S/C23H22N6O4S2/c1-11-9-34-22(24-11)27-20(30)17-13(3)26-14(4)18(21(31)28-23-25-12(2)10-35-23)19(17)15-5-7-16(8-6-15)29(32)33/h5-10,19,26H,1-4H3,(H,24,27,30)(H,25,28,31) XWAJPVODLLDVJM-UHFFFAOYSA-N 50494045 CHEMBL2443373 Beta-secretase 1 Homo sapiens 4210 ChEMBL 10.1016/j.bmc.2013.09.033 10.7270/Q2HQ42V2 24113238 Razzaghi-Asl, N; Firuzi, O; Hemmateenejad, B; Javidnia, K; Edraki, N; Miri, R Shiraz University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50494045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50494045&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72698000 433961310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189244 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N 15236 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one::3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one::CHEMBL164::Cannabiscetin::Myricetin::Myricetin (20)::Myricetin (Myr)::cid_5281672 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MYC 3HBF,7DPP,2IOD,5YUN,6M88,5HXC,7B3E,1E90,4GQR,7ELW,5XI1,6TTC,3C1T,2O63,7E49 5281672 46515543 18152 CHEMBL164 DB02375 C10107 ZINC03874317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189248 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Beta-secretase 1 Homo sapiens 5400 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,3LM5,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189254 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H YXOLAZRVSSWPPT-UHFFFAOYSA-N 26658 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one::2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone::2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one::2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one::CHEMBL28626::MLS000069618::Morin (19)::Morin (5)::Morin (Mor)::SMR000058259::cid_5281670::morin Beta-secretase 1 Homo sapiens 21700 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MRI 5AUY,8A0P,7E4B,6AE3,6TT8 5281670 57298370 75092 CHEMBL28626 411 C10105 ZINC03881558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189255 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N 7458 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::Apigenin::Apigenin (2)::Apigenin (3)::Apigenin (7)::Apigenin, 13::CHEMBL28::Naringenin, 18::US10278929, Apigenin::US11337935, Compound Apigenin::acs.jmedchem.1c00409_ST.789::cid_5280443::jm5b01461, Compound 90 Beta-secretase 1 Homo sapiens 38500 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AGI 4HKK,4DGM,5I2H,5AUV,4DER,7D3A,3AMY,4WO0,3CF9,5UQT 5280443 11108249 18388 CHEMBL28 DB07352 4136 C01477 ZINC03871576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189256 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N 7462 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::3,5,7-trihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::CHEMBL150::Kaempferol (18)::Kaempferol (Kmp)::cid_5280863::kaempferol Beta-secretase 1 Homo sapiens 14700 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search KMP 5AV2,4DET,5AUX,6M8B,5AV3,4REL,3QWH,1H1M,7VEJ,2C1Z 5280863 11108253 28499 CHEMBL150 DB01852 C05903 ZINC03869768 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189272 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ DXDRHHKMWQZJHT-FPYGCLRLSA-N 50042944 (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone::(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one::1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone::1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one::1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one::2',4',4-trihydroxychalcone::2',4,4'-trihydroxychalcone::2,4'-dihydroxy-4-hydroxychalcone::CHEMBL129795::Isoliquiritigenin (1)::cid_638278 Beta-secretase 1 Homo sapiens 33000 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search HCC 5YX4,1FP1,4RLU,6AJX,6AJV 638278 103974441 310312 CHEMBL129795 DB03285 C08650 ZINC03869608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189284 Oc1ccc(C(=O)\C=C\c2cccc(O)c2O)c(O)c1 InChI=1S/C15H12O5/c16-10-5-6-11(14(19)8-10)12(17)7-4-9-2-1-3-13(18)15(9)20/h1-8,16,18-20H/b7-4+ IUKUGGBBLOTFNV-QPJJXVBHSA-N 235642 (E)-1-(2,4-dihydroxyphenyl)-3-(2,3-dihydroxyphenyl)-2-propen-1-one (17) Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1007/s00044-012-0353-y 10.7270/Q29Z97T4 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=235642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=235642&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53484158 340095303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189651 CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C33H56N4O6S/c1-21(2)17-26(34-20-28(39)25(15-16-44-9)36-32(42)43-33(6,7)8)27(38)18-23(5)30(40)37-29(22(3)4)31(41)35-19-24-13-11-10-12-14-24/h10-14,21-23,25-27,29,34,38H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,40)/t23-,25-,26+,27+,29+/m1/s1 NHQGRMZQNCXBLA-BDCZXCATSA-N 50489051 CHEMBL2299408 Beta-secretase 1 Homo sapiens 5807644 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76327857 433956316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189652 CSCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H65N5O7S/c1-23(2)19-29(30(44)20-26(7)34(46)42-32(24(3)4)35(47)40-21-27-15-13-12-14-16-27)39-22-31(45)28(17-18-51-11)41-36(48)33(25(5)6)43-37(49)50-38(8,9)10/h12-16,23-26,28-30,32-33,39,44H,17-22H2,1-11H3,(H,40,47)(H,41,48)(H,42,46)(H,43,49)/t26-,28-,29+,30+,32-,33+/m1/s1 RIPKPQCISZYLGE-GCUQHTCHSA-N 50489052 CHEMBL3349192 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489052&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118718226 433956317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189653 CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O9S/c1-22(2)17-27(29(43)18-25(7)33(45)41-31(23(3)4)34(46)39-19-26-15-13-12-14-16-26)38-20-30(44)28(21-52(11,49)50)40-35(47)32(24(5)6)42-36(48)51-37(8,9)10/h12-16,22-25,27-29,31-32,38,43H,17-21H2,1-11H3,(H,39,46)(H,40,47)(H,41,45)(H,42,48)/t25-,27+,28+,29+,31-,32+/m1/s1 IBFYLVRYLLTZQL-KXORHRCJSA-N 50489053 CHEMBL2299407 Beta-secretase 1 Homo sapiens 9397 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489053&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76324291 433956318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189654 CSC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H63N5O7S/c1-22(2)17-27(29(43)18-25(7)33(45)41-31(23(3)4)34(46)39-19-26-15-13-12-14-16-26)38-20-30(44)28(21-50-11)40-35(47)32(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-29,31-32,38,43H,17-21H2,1-11H3,(H,39,46)(H,40,47)(H,41,45)(H,42,48)/t25-,27+,28-,29+,31+,32+/m1/s1 YUBJNSWGAWKVDK-IGPHDTQZSA-N 50489054 CHEMBL2299406 Beta-secretase 1 Homo sapiens 50119 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76316917 433956319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189655 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C35H58N6O8/c1-20(2)15-25(27(42)16-22(5)31(45)39-23(6)32(46)38-18-24-13-11-10-12-14-24)37-19-28(43)26(17-29(36)44)40-33(47)30(21(3)4)41-34(48)49-35(7,8)9/h10-14,20-23,25-27,30,37,42H,15-19H2,1-9H3,(H2,36,44)(H,38,46)(H,39,45)(H,40,47)(H,41,48)/t22-,23+,25+,26+,27+,30+/m1/s1 GYJMWEKMEOODAY-RFVBRMQKSA-N 50489055 CHEMBL2299404 Beta-secretase 1 Homo sapiens 61376 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489055&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76327856 433956320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189656 CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H54N4O8S/c1-20(2)15-24(33-18-27(38)25(19-45(9,42)43)35-31(41)44-32(6,7)8)26(37)16-22(5)29(39)36-28(21(3)4)30(40)34-17-23-13-11-10-12-14-23/h10-14,20-22,24-26,28,33,37H,15-19H2,1-9H3,(H,34,40)(H,35,41)(H,36,39)/t22-,24+,25+,26+,28+/m1/s1 KTWYKTCSOLBNMZ-ANZRSOPBSA-N 50489056 CHEMBL2299403 Beta-secretase 1 Homo sapiens 1129796 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489056&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335122 433956321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189657 CC(C)C[C@H](NCC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C38H65N5O9S/c1-23(2)19-29(30(44)20-26(7)34(46)42-32(24(3)4)35(47)40-21-27-15-13-12-14-16-27)39-22-31(45)28(17-18-53(11,50)51)41-36(48)33(25(5)6)43-37(49)52-38(8,9)10/h12-16,23-26,28-30,32-33,39,44H,17-22H2,1-11H3,(H,40,47)(H,41,48)(H,42,46)(H,43,49)/t26-,28-,29+,30+,32-,33+/m1/s1 QEBUUXJKTCTVFE-GCUQHTCHSA-N 50489057 CHEMBL2299400 Beta-secretase 1 Homo sapiens 7998 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489057&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76313404 433956322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189658 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 InChI=1S/C30H49N5O7/c1-18(2)13-22(32-17-25(37)23(15-26(31)38)35-29(41)42-30(5,6)7)24(36)14-19(3)27(39)34-20(4)28(40)33-16-21-11-9-8-10-12-21/h8-12,18-20,22-24,32,36H,13-17H2,1-7H3,(H2,31,38)(H,33,40)(H,34,39)(H,35,41)/t19-,20+,22+,23+,24+/m1/s1 KLEAPGWLGBRJQD-ILCIMEMOSA-N 50489058 CHEMBL2299399 Beta-secretase 1 Homo sapiens 22438819 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489058&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76320641 433956323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189659 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C32H53N5O7/c1-19(2)14-23(34-18-26(39)24(16-27(33)40)36-31(43)44-32(6,7)8)25(38)15-21(5)29(41)37-28(20(3)4)30(42)35-17-22-12-10-9-11-13-22/h9-13,19-21,23-25,28,34,38H,14-18H2,1-8H3,(H2,33,40)(H,35,42)(H,36,43)(H,37,41)/t21-,23+,24+,25+,28+/m1/s1 QMIIETJQUSZXNX-OEKXEMMHSA-N 50489059 CHEMBL2299402 Beta-secretase 1 Homo sapiens 3133286 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489059&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76316916 433956324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189660 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C37H62N6O8/c1-21(2)16-26(28(44)17-24(7)33(47)42-31(22(3)4)34(48)40-19-25-14-12-11-13-15-25)39-20-29(45)27(18-30(38)46)41-35(49)32(23(5)6)43-36(50)51-37(8,9)10/h11-15,21-24,26-28,31-32,39,44H,16-20H2,1-10H3,(H2,38,46)(H,40,48)(H,41,49)(H,42,47)(H,43,50)/t24-,26+,27+,28+,31-,32+/m1/s1 DJWXQNYNGDPUDP-GGZGKKHWSA-N 50489060 CHEMBL2299405 Beta-secretase 1 Homo sapiens 5902 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489060&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76335123 433956325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51189661 CSCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 InChI=1S/C41H71N5O7S/c1-25(2)20-30(37(49)45-35(27(5)6)38(50)43-23-29-16-14-13-15-17-29)22-33(47)32(21-26(3)4)42-24-34(48)31(18-19-54-12)44-39(51)36(28(7)8)46-40(52)53-41(9,10)11/h13-17,25-28,30-33,35-36,42,47H,18-24H2,1-12H3,(H,43,50)(H,44,51)(H,45,49)(H,46,52)/t30-,31-,32+,33+,35-,36+/m1/s1 JOWODGYZVNLVDL-YCRFLMHJSA-N 50489061 CHEMBL2299401 Beta-secretase 1 Homo sapiens 10495424 ChEMBL 10.1007/s00044-013-0481-z 10.7270/Q2474DRM n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50489061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50489061&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 76331514 433956326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204691 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)N=[N+]=[N-])C(=O)Nc1cccc(c1)-c1nn[nH]n1 InChI=1S/C33H29N11O5/c34-41-38-24-16-26(36-27(17-24)33(48)44-19-49-18-28(44)21-10-5-2-6-11-21)31(46)37-25(14-20-8-3-1-4-9-20)29(45)32(47)35-23-13-7-12-22(15-23)30-39-42-43-40-30/h1-13,15-17,25,28-29,45H,14,18-19H2,(H,35,47)(H,37,46)(H,39,40,42,43)/t25-,28+,29-/m0/s1 LPNSQUKVJBNHJO-OYFGVDPJSA-N 50495215 CHEMBL3105743 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1016/j.bmcl.2013.12.007 10.7270/Q2BG2RZZ 24360554 Hamada, Y; Suzuki, K; Nakanishi, T; Sarma, D; Ohta, H; Yamaguchi, R; Yamasaki, M; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73212532 433962480 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204692 CSc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 InChI=1S/C34H32N8O5S/c1-48-25-17-27(36-28(18-25)34(46)42-20-47-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 OWFMIDKWOVWZNT-DEIHTGSNSA-N 50495216 CHEMBL3105741 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2013.12.007 10.7270/Q2BG2RZZ 24360554 Hamada, Y; Suzuki, K; Nakanishi, T; Sarma, D; Ohta, H; Yamaguchi, R; Yamasaki, M; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73212458 433962481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204693 COc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 InChI=1S/C34H32N8O6/c1-47-25-17-27(36-28(18-25)34(46)42-20-48-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 PEPWVZMBSOOVLI-DEIHTGSNSA-N 50495217 CHEMBL3105738 Beta-secretase 1 Homo sapiens 151 ChEMBL 10.1016/j.bmcl.2013.12.007 10.7270/Q2BG2RZZ 24360554 Hamada, Y; Suzuki, K; Nakanishi, T; Sarma, D; Ohta, H; Yamaguchi, R; Yamasaki, M; Hidaka, K; Ishiura, S; Kiso, Y Kobe Gakuin University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73212455 433962482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204694 O\C(\C=C\c1cccc(c1)[N+]([O-])=O)=C/C(=O)/C=C/c1ccc(O)c(O)c1 InChI=1S/C19H15NO6/c21-16(7-4-13-2-1-3-15(10-13)20(25)26)12-17(22)8-5-14-6-9-18(23)19(24)11-14/h1-12,21,23-24H/b7-4+,8-5+,16-12- RLXYJENVILGVPD-DBEQFWNYSA-N 50495218 CHEMBL3103049 Beta-secretase 1 Homo sapiens 1800000 ChEMBL 10.1016/j.bmcl.2013.11.039 10.7270/Q26T0QMH 24360557 Konno, H; Endo, H; Ise, S; Miyazaki, K; Aoki, H; Sanjoh, A; Kobayashi, K; Hattori, Y; Akaji, K Yamagata University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73213042 433962483 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204695 O\C(\C=C\c1c[nH]c2ccccc12)=C/C(=O)/C=C/c1ccc(O)c(O)c1 InChI=1S/C21H17NO4/c23-16(8-5-14-6-10-20(25)21(26)11-14)12-17(24)9-7-15-13-22-19-4-2-1-3-18(15)19/h1-13,22,24-26H/b8-5+,9-7+,17-12- LDGYEUIQIYMYRD-FEIWGIRXSA-N 50495219 CHEMBL3103055 Beta-secretase 1 Homo sapiens 450000 ChEMBL 10.1016/j.bmcl.2013.11.039 10.7270/Q26T0QMH 24360557 Konno, H; Endo, H; Ise, S; Miyazaki, K; Aoki, H; Sanjoh, A; Kobayashi, K; Hattori, Y; Akaji, K Yamagata University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73213128 433962484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204696 O\C(\C=C\c1ccccc1O)=C/C(=O)/C=C/c1ccc(O)c(O)c1 InChI=1S/C19H16O5/c20-15(8-5-13-6-10-18(23)19(24)11-13)12-16(21)9-7-14-3-1-2-4-17(14)22/h1-12,21-24H/b8-5+,9-7+,16-12- VSSLIUMAJABNOK-CMWQAZFASA-N 50495220 CHEMBL3103052 Beta-secretase 1 Homo sapiens 250000 ChEMBL 10.1016/j.bmcl.2013.11.039 10.7270/Q26T0QMH 24360557 Konno, H; Endo, H; Ise, S; Miyazaki, K; Aoki, H; Sanjoh, A; Kobayashi, K; Hattori, Y; Akaji, K Yamagata University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73213045 433962485 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204697 Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2 OJFGQVZAISEIPG-UHFFFAOYSA-N 50067030 (1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one::(1E,4Z,6E)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one::1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one::1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one::CHEMBL129964 Beta-secretase 1 Homo sapiens 2200000 ChEMBL 10.1016/j.bmcl.2013.11.039 10.7270/Q26T0QMH 24360557 Konno, H; Endo, H; Ise, S; Miyazaki, K; Aoki, H; Sanjoh, A; Kobayashi, K; Hattori, Y; Akaji, K Yamagata University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50067030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50067030&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5469425 103961563 CHEMBL129964 ZINC01651128 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204698 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3 HJTVQHVGMGKONQ-UHFFFAOYSA-N 50163744 (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one::(1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione::1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione::5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one::CHEMBL179512::cid_5324476::curcumin II::demethoxycurcumin Beta-secretase 1 Homo sapiens 1600000 ChEMBL 10.1016/j.bmcl.2013.11.039 10.7270/Q26T0QMH 24360557 Konno, H; Endo, H; Ise, S; Miyazaki, K; Aoki, H; Sanjoh, A; Kobayashi, K; Hattori, Y; Akaji, K Yamagata University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5469424 104049716 CHEMBL179512 ZINC05115722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51204699 COc1ccccc1\C=C\C(\O)=C\C(=O)\C=C\c1ccc(O)c(O)c1 InChI=1S/C20H18O5/c1-25-20-5-3-2-4-15(20)8-10-17(22)13-16(21)9-6-14-7-11-18(23)19(24)12-14/h2-13,22-24H,1H3/b9-6+,10-8+,17-13- SDYBZLBKVIQWHG-SWKITGSSSA-N 50495221 CHEMBL3103051 Beta-secretase 1 Homo sapiens 1400000 ChEMBL 10.1016/j.bmcl.2013.11.039 10.7270/Q26T0QMH 24360557 Konno, H; Endo, H; Ise, S; Miyazaki, K; Aoki, H; Sanjoh, A; Kobayashi, K; Hattori, Y; Akaji, K Yamagata University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50495221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50495221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73213044 433962486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215596 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cn(nn1)-c1ccc(cn1)C#N InChI=1S/C22H22FN9OS/c1-22(14-34(33)27-8-2-3-9-32(34)21(25)28-22)17-10-16(5-6-18(17)23)19-13-31(30-29-19)20-7-4-15(11-24)12-26-20/h4-7,10,12-13H,2-3,8-9,14H2,1H3,(H2,25,28)/t22-,34-/m0/s1 HMXDSFCDXRAART-RIPCNWKXSA-N 312916 6-(4-(3-((9R,11S)-7-Amino-9-methyl-11-oxido-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepin-9-yl)-4-fluorophenyl)-1H-1,2,3-triazol-1-yl)nicotinonitrile 2,2,2-trifluoroacetate::US9605006, 15 Beta-secretase 1 Homo sapiens 9.5 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660238 383539865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215597 COc1cnc(cn1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C22H24FN7O3S/c1-22(13-34(31)27-7-3-4-8-30(34)21(24)28-22)15-9-14(5-6-16(15)23)19-10-17(29-33-19)18-11-26-20(32-2)12-25-18/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H2,24,28)/t22-,34-/m0/s1 YLZAEXFJSJVFKG-RIPCNWKXSA-N 312919 (9R,118)-7-Amino-9-(2-fluoro-5-(3-(5-methoxypyrazin-2-yl)isoxazol-5-yl)phenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 18 Beta-secretase 1 Homo sapiens 694 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660240 383539868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215598 Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C21H24F2N6O2S/c1-13-9-14(22)11-25-18(13)19(30)27-15-5-6-17(23)16(10-15)21(2)12-32(31)26-7-3-4-8-29(32)20(24)28-21/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,24,28)(H,27,30)/t21-,32+/m0/s1 WWGKDRARRKPDPH-GFJKYASSSA-N 312925 5-Fluoro-3-methyl-pyridine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 23 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662233 383539874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215599 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N InChI=1S/C23H22FN5OS/c1-23(16-31(30)27-12-2-3-13-29(31)22(26)28-23)20-14-18(10-11-21(20)24)7-4-17-5-8-19(15-25)9-6-17/h5-6,8-11,14H,2-3,12-13,16H2,1H3,(H2,26,28)/t23-,31+/m0/s1 OPNMDNOJVVSABG-GTYOFVGBSA-N 312917 4-43-49R,11R)-7-Amino-9-methyl-11-oxido-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepin-9-yl)-4-fluorophenyl)ethynyl)benzonitrile 2,2,2-trifluoroacetate::US9605006, 16 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660245 383539866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215600 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C23H26FN7O3S/c1-3-4-11-34-20-14-26-19(13-27-20)21(32)29-16-7-8-18(24)17(12-16)23(2)15-35(33)28-9-5-6-10-31(35)22(25)30-23/h7-8,12-14H,5-6,9-11,15H2,1-2H3,(H2,25,30)(H,29,32)/t23-,35+/m0/s1 QGBHKZZINIDUSU-IYLMVCPTSA-N 312923 5-But-2-ynyloxy-pyrazine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 22 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91810398 383539872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215601 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1ncc(Cl)cn1 InChI=1S/C21H21ClFN7O2S/c1-21(12-33(31)27-6-2-3-7-30(33)20(24)28-21)15-8-13(4-5-16(15)23)18-9-17(29-32-18)19-25-10-14(22)11-26-19/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,24,28)/t21-,33-/m0/s1 BUTWZYWHNIZHRN-VTLMBFNKSA-N 312915 (9R,11S)-7-Amino-9-(5-(3-(5-chloropyrimidin-2-yl)isoxazol-5-yl)-2-fluorophenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 14 Beta-secretase 1 Homo sapiens 9.5 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660243 383539864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215602 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C21H21ClFN7O2S/c1-21(12-33(32)27-6-2-3-7-30(33)20(25)29-21)15-9-14(4-5-17(15)23)28-19(31)18-16(22)8-13(10-24)11-26-18/h4-5,8-9,11H,2-3,6-7,12H2,1H3,(H2,25,29)(H,28,31)/t21-,33+/m0/s1 PBUCOPSRJPMXJB-AUSOSSAASA-N 312921 3-Chloro-5-cyano-pyridine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 20 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662211 383539870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215603 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H22FN7O2S/c1-21(13-32(31)26-8-2-3-9-29(32)20(24)28-21)16-10-15(5-6-17(16)22)27-19(30)18-7-4-14(11-23)12-25-18/h4-7,10,12H,2-3,8-9,13H2,1H3,(H2,24,28)(H,27,30)/t21-,32-/m0/s1 TYXNQWJIQRANBK-MNAQKMTRSA-N 312912 US9605006, 1 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122662227 383539861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215604 COc1cnc(cn1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C22H24FN7O3S/c1-22(13-34(31)27-7-3-4-8-30(34)21(24)28-22)15-9-14(5-6-16(15)23)19-10-17(29-33-19)18-11-26-20(32-2)12-25-18/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H2,24,28)/t22-,34+/m0/s1 YLZAEXFJSJVFKG-XSJBNIOMSA-N 312918 (9R,11R)-7-Amino-9-(2-fluoro-5-(3-(5-methoxypyrazin-2-yl)isoxazol-5-yl)phenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 17 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660246 383539867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51215605 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1ncc(Cl)cn1 InChI=1S/C21H21ClFN7O2S/c1-21(12-33(31)27-6-2-3-7-30(33)20(24)28-21)15-8-13(4-5-16(15)23)18-9-17(29-32-18)19-25-10-14(22)11-26-19/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,24,28)/t21-,33+/m0/s1 BUTWZYWHNIZHRN-AUSOSSAASA-N 312914 (9R,11R)-7-Amino-9-(5-(3-(5-chloropyrimidin-2-yl)isoxazol-5-yl)-2-fluorophenyl)-9-methyl-2,3,4,5,9,10-hexahydro-[1,2,4]thiadiazino[1,2-a][1,2,7]thiadiazepine 11-oxide 2,2,2-trifluoroacetate::US9605006, 13 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acsmedchemlett.5b00321 10.7270/Q2BP05S0 26487908 Blass, B Temple University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122660239 383539863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097537 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)cc1F InChI=1S/C18H17F2N3O2/c1-10-8-11(4-7-15(10)25-3)18(16(24)23(2)17(21)22-18)13-6-5-12(19)9-14(13)20/h4-9H,1-3H3,(H2,21,22) HNPNURNUNFELEV-UHFFFAOYSA-N 519483 US11142505, FAH-08 Beta-secretase 1 Homo sapiens 2300 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519483&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117753214 461596948 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097538 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(C)c(F)cc1F InChI=1S/C19H19F2N3O2/c1-10-8-13(15(21)9-14(10)20)19(17(25)24(3)18(22)23-19)12-5-6-16(26-4)11(2)7-12/h5-9H,1-4H3,(H2,22,23) MUMLLPSLHURABH-UHFFFAOYSA-N 519484 US11142505, FAH-09 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320968 461596949 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097539 CN1C(N)=NC(C1=O)(c1ccc(F)c(C)c1)c1cc(F)cc(F)c1 InChI=1S/C17H14F3N3O/c1-9-5-10(3-4-14(9)20)17(15(24)23(2)16(21)22-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H2,21,22) BFTQGJBINDSABS-UHFFFAOYSA-N 519485 US11142505, FAH-10 Beta-secretase 1 Homo sapiens 1600 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519485&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321277 461596950 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097540 COc1ccc(cn1)C1(N=C(N)N(C)C1=O)c1cc(F)cc(F)c1 InChI=1S/C16H14F2N4O2/c1-22-14(23)16(21-15(22)19,9-3-4-13(24-2)20-8-9)10-5-11(17)7-12(18)6-10/h3-8H,1-2H3,(H2,19,21) CNXRLFQIDXRRFO-UHFFFAOYSA-N 519486 US11142505, FAH-11 Beta-secretase 1 Homo sapiens 1800 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519486&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321278 461596951 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097541 COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cc(F)cc(F)c1 InChI=1S/C17H14F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8H,1-2H3,(H2,21,22) AWPYNJLKPURHEF-UHFFFAOYSA-N 519487 US11142505, FAH-12 Beta-secretase 1 Homo sapiens 2600 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321279 461596952 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097542 CN1C(N)=NC(C1=O)(c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 InChI=1S/C16H11F4N3O/c1-23-14(24)16(22-15(23)21,8-2-3-12(19)13(20)6-8)9-4-10(17)7-11(18)5-9/h2-7H,1H3,(H2,21,22) IAXAQFVGKSUSJS-UHFFFAOYSA-N 519488 US11142505, FAH-14 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321281 461596953 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097543 CN1C(N)=NC(C1=O)(c1ccnc(F)c1)c1cc(F)cc(F)c1 InChI=1S/C15H11F3N4O/c1-22-13(23)15(21-14(22)19,8-2-3-20-12(18)6-8)9-4-10(16)7-11(17)5-9/h2-7H,1H3,(H2,19,21) YJPFAYBAKQIFKX-UHFFFAOYSA-N 519489 US11142505, FAH-15 Beta-secretase 1 Homo sapiens 2000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117753202 461596954 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097544 CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H16F3N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23) RYPGTHOZCUSFLF-UHFFFAOYSA-N 512916 US11091444, Compound FAH-17::US11142505, FAH #17 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77106312 459630159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097545 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H17F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h3-10,16H,1-2H3,(H2,21,22) DIBLNVRMNVPDAB-UHFFFAOYSA-N 519491 US11142505, FAH-18 Beta-secretase 1 Homo sapiens 180 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519491&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25070194 461596956 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097546 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)c(F)c(F)c1 InChI=1S/C18H14F5N3O2/c1-8-5-9(3-4-13(8)28-16(22)23)18(15(27)26(2)17(24)25-18)10-6-11(19)14(21)12(20)7-10/h3-7,16H,1-2H3,(H2,24,25) BTHSYBYBUVFNRA-UHFFFAOYSA-N 519492 US11142505, FAH-19 Beta-secretase 1 Homo sapiens 960 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519492&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321283 461596957 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097547 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(F)c1 InChI=1S/C18H15F4N3O2/c1-9-5-10(3-4-14(9)27-16(21)22)18(15(26)25(2)17(23)24-18)11-6-12(19)8-13(20)7-11/h3-8,16H,1-2H3,(H2,23,24) GDKGAYIPAAQPCP-UHFFFAOYSA-N 512913 US11091444, Compound FAH-3::US11142505, FAH #3 Beta-secretase 1 Homo sapiens 710 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90352662 459630156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097548 CN1C(N)=NC(C1=O)(c1cccc(Cl)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H16ClF2N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23) ZKQQAIYNHPUYKK-UHFFFAOYSA-N 519458 US11142505, FAH #23::US11142505, FAH-23 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321601 461596923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097549 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(Cl)c1 InChI=1S/C18H15ClF3N3O2/c1-9-5-10(3-4-14(9)27-16(21)22)18(15(26)25(2)17(23)24-18)11-6-12(19)8-13(20)7-11/h3-8,16H,1-2H3,(H2,23,24) SYQPMHSBECIQHR-UHFFFAOYSA-N 519459 US11142505, FAH #25::US11142505, FAH-25 Beta-secretase 1 Homo sapiens 570 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321602 461596924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097550 CN1C(N)=NC(C1=O)(c1cccc(C)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C19H19F2N3O2/c1-11-5-4-6-13(9-11)19(16(25)24(3)18(22)23-19)14-7-8-15(12(2)10-14)26-17(20)21/h4-10,17H,1-3H3,(H2,22,23) CMJPFHOXYNWIPI-UHFFFAOYSA-N 519460 US11142505, FAH #27::US11142505, FAH-27 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25073353 461596925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097551 CN1C(N)=NC(C1=O)(c1cccc(c1)C(F)(F)F)c1ccc(OC(F)F)c(C)c1 InChI=1S/C19H16F5N3O2/c1-10-8-12(6-7-14(10)29-16(20)21)18(15(28)27(2)17(25)26-18)11-4-3-5-13(9-11)19(22,23)24/h3-9,16H,1-2H3,(H2,25,26) JNHPCUDMTGBLRN-UHFFFAOYSA-N 519461 US11142505, FAH #28::US11142505, FAH-28 Beta-secretase 1 Homo sapiens 380 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321603 461596926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097552 CC(C)c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C21H23F2N3O2/c1-12(2)14-6-5-7-15(11-14)21(18(27)26(4)20(24)25-21)16-8-9-17(13(3)10-16)28-19(22)23/h5-12,19H,1-4H3,(H2,24,25) IJNOHSFRURWUFF-UHFFFAOYSA-N 519498 US11142505, FAH-29 Beta-secretase 1 Homo sapiens 11000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519498&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468330 461596959 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097553 CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C16H17F2N5O2/c1-9-6-10(4-5-12(9)25-14(17)18)16(11-7-20-22(2)8-11)13(24)23(3)15(19)21-16/h4-8,14H,1-3H3,(H2,19,21) NVQKXQGFGOGJDU-UHFFFAOYSA-N 519462 US11142505, FAH #30::US11142505, FAH-30 Beta-secretase 1 Homo sapiens 2000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468759 461596927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097554 CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H16F3N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23) RYPGTHOZCUSFLF-UHFFFAOYSA-N 512916 US11091444, Compound FAH-17::US11142505, FAH #17 Beta-secretase 1 Homo sapiens 3960 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77106312 459630159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097555 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H20F2N4O2/c1-14-11-18(8-9-19(14)31-21(24)25)23(20(30)29(2)22(26)28-23)17-7-3-5-15(12-17)16-6-4-10-27-13-16/h3-13,21H,1-2H3,(H2,26,28) NXESIIQMMYSKJZ-UHFFFAOYSA-N 519464 US11142505, FAH #32::US11142505, FAH-32 Beta-secretase 1 Homo sapiens 70.0 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468306 461596929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097556 CN1C(N)=NC(C1=O)(c1cncnc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C16H15F2N5O2/c1-9-5-10(3-4-12(9)25-14(17)18)16(11-6-20-8-21-7-11)13(24)23(2)15(19)22-16/h3-8,14H,1-2H3,(H2,19,22) HGCUNKCJWJZRCV-UHFFFAOYSA-N 519465 US11142505, FAH #33::US11142505, FAH-33 Beta-secretase 1 Homo sapiens 10000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468850 461596930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097557 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cncc(F)c1 InChI=1S/C17H15F3N4O2/c1-9-5-10(3-4-13(9)26-15(19)20)17(11-6-12(18)8-22-7-11)14(25)24(2)16(21)23-17/h3-8,15H,1-2H3,(H2,21,23) YQJIQCHQXMEORH-UHFFFAOYSA-N 519466 US11142505, FAH #37::US11142505, FAH-37 Beta-secretase 1 Homo sapiens 1930 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468767 461596931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097558 CN1C(N)=NC(C1=O)(c1cocn1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C15H14F2N4O3/c1-8-5-9(3-4-10(8)24-13(16)17)15(11-6-23-7-19-11)12(22)21(2)14(18)20-15/h3-7,13H,1-2H3,(H2,18,20) BEFOVIUDCOZRNT-UHFFFAOYSA-N 519467 US11142505, FAH #38::US11142505, FAH-38 Beta-secretase 1 Homo sapiens 15260 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468289 461596932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097559 Cc1cc(ccc1OC(F)F)C1(N=C(N)N(Cc2ccccc2)C1=O)c1cccc(F)c1 InChI=1S/C24H20F3N3O2/c1-15-12-18(10-11-20(15)32-22(26)27)24(17-8-5-9-19(25)13-17)21(31)30(23(28)29-24)14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H2,28,29) CHJWXXASSPQQLG-UHFFFAOYSA-N 519505 US11142505, FAH-42 Beta-secretase 1 Homo sapiens 2300 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519505&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468851 461596961 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097560 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cnco1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C21H18F2N4O3/c1-12-8-15(6-7-16(12)30-19(22)23)21(18(28)27(2)20(24)26-21)14-5-3-4-13(9-14)17-10-25-11-29-17/h3-11,19H,1-2H3,(H2,24,26) ZEGDJHIDQGYWMS-UHFFFAOYSA-N 519506 US11142505, FAH-43 Beta-secretase 1 Homo sapiens 140 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519506&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468547 461596962 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097561 COCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C20H21F2N3O3/c1-12-9-15(7-8-16(12)28-18(21)22)20(17(26)25(2)19(23)24-20)14-6-4-5-13(10-14)11-27-3/h4-10,18H,11H2,1-3H3,(H2,23,24) LKTZBRKMHHWWFC-UHFFFAOYSA-N 519507 US11142505, FAH-44 Beta-secretase 1 Homo sapiens 300 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519507&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77812616 461596963 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097562 CN1C(N)=[NH+]C(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C17H15F3N4O2/c1-9-7-10(3-4-12(9)26-15(19)20)17(11-5-6-22-13(18)8-11)14(25)24(2)16(21)23-17/h3-8,15H,1-2H3,(H2,21,23)/p+1 BQLKDSHNYNQXGR-UHFFFAOYSA-O 519508 US11142505, FAH-46 Beta-secretase 1 Homo sapiens 1600 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519508&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643507 461596964 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097563 CN1C(N)=[NH+]C(C1=O)(c1ccnc(C)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H18F2N4O2/c1-10-8-12(4-5-14(10)26-16(19)20)18(13-6-7-22-11(2)9-13)15(25)24(3)17(21)23-18/h4-9,16H,1-3H3,(H2,21,23)/p+1 RSAFAPWIONFPGF-UHFFFAOYSA-O 519509 US11142505, FAH-47 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519509&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643526 461596965 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097564 COc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H18F2N4O3/c1-10-8-11(4-5-13(10)27-16(19)20)18(15(25)24(2)17(21)23-18)12-6-7-22-14(9-12)26-3/h4-9,16H,1-3H3,(H2,21,23)/p+1 XVIKZENOIXNJIF-UHFFFAOYSA-O 519510 US11142505, FAM-48 Beta-secretase 1 Homo sapiens 4800 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519510&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643512 461596966 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097565 COCc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C19H20F2N4O3/c1-11-8-12(4-5-15(11)28-17(20)21)19(16(26)25(2)18(22)24-19)13-6-7-23-14(9-13)10-27-3/h4-9,17H,10H2,1-3H3,(H2,22,24)/p+1 DQYCRINNXBOLPA-UHFFFAOYSA-O 519511 US11142505, FAH-53 Beta-secretase 1 Homo sapiens 1900 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519511&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643527 461596967 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097566 CC#Cc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C20H18F2N4O2/c1-4-5-15-11-14(8-9-24-15)20(17(27)26(3)19(23)25-20)13-6-7-16(12(2)10-13)28-18(21)22/h6-11,18H,1-3H3,(H2,23,25)/p+1 HBVHTZZGQKAVEJ-UHFFFAOYSA-O 519512 US11142505, FAH-57 Beta-secretase 1 Homo sapiens 240 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519512&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643510 461596968 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097567 CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H23F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h8-10,12,16H,3-7H2,1-2H3,(H2,21,22) GFYOSSHXGZUGOY-UHFFFAOYSA-N 519474 US11142505, FAH #59::US11142505, FAH-59 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468779 461596939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097568 C[NH2+]Cc1cccc(c1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)CF)c(C)c1 InChI=1S/C21H24F2N4O2/c1-13-9-16(7-8-17(13)29-18(23)11-22)21(19(28)27(3)20(24)26-21)15-6-4-5-14(10-15)12-25-2/h4-10,18,25H,11-12H2,1-3H3,(H2,24,26)/p+2 OPVCOJWLDNFGIU-UHFFFAOYSA-P 519514 US11142505, FAH-62 Beta-secretase 1 Homo sapiens 370 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519514&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160063735 461596969 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097569 CNCCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C21H24F2N4O2/c1-13-11-16(7-8-17(13)29-19(22)23)21(18(28)27(3)20(24)26-21)15-6-4-5-14(12-15)9-10-25-2/h4-8,11-12,19,25H,9-10H2,1-3H3,(H2,24,26) UVCLPDYCHOWGHX-UHFFFAOYSA-N 519515 US11142505, FAH-63 Beta-secretase 1 Homo sapiens 1180 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468873 461596970 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097570 CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)C1C[NH2+]C1)c1ccc(OC(F)CF)c(C)c1 InChI=1S/C22H24F2N4O2/c1-13-8-17(6-7-18(13)30-19(24)10-23)22(20(29)28(2)21(25)27-22)16-5-3-4-14(9-16)15-11-26-12-15/h3-9,15,19,26H,10-12H2,1-2H3,(H2,25,27)/p+2 ODLQERWQIVNEAG-UHFFFAOYSA-P 519516 US11142505, FAH-64 Beta-secretase 1 Homo sapiens 3200 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 159962073 461596971 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097571 CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)-c1cncnc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C22H19F2N5O2/c1-13-8-17(6-7-18(13)31-20(23)24)22(19(30)29(2)21(25)28-22)16-5-3-4-14(9-16)15-10-26-12-27-11-15/h3-12,20H,1-2H3,(H2,25,28)/p+1 RGHSVQHKNJAFGR-UHFFFAOYSA-O 519517 US11142505, FAH-65 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519517&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160617790 461596972 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097572 CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)-c1cncc(F)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C23H19F3N4O2/c1-13-8-17(6-7-19(13)32-21(25)26)23(20(31)30(2)22(27)29-23)16-5-3-4-14(9-16)15-10-18(24)12-28-11-15/h3-12,21H,1-2H3,(H2,27,29)/p+1 WRNHHQFVTGTIHE-UHFFFAOYSA-O 519518 US11142505, FAH-66 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519518&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 161586131 461596973 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097573 CN1C(N)=[NH+]C(C2CC[NH+](C)CC2)(C1=O)c1ccc(OC(F)CF)c(C)c1 InChI=1S/C19H26F2N4O2/c1-12-10-14(4-5-15(12)27-16(21)11-20)19(13-6-8-24(2)9-7-13)17(26)25(3)18(22)23-19/h4-5,10,13,16H,6-9,11H2,1-3H3,(H2,22,23)/p+2 OUWQDRDHISNPPS-UHFFFAOYSA-P 519519 US11142505, FAH-67 Beta-secretase 1 Homo sapiens 24250 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160104921 461596974 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097574 CCCC1CC(CC[NH+]1C)C1([NH+]=C(N)N(C)C1=O)C1=CC(C)=C(OC(F)F)C(C)C1 InChI=1S/C22H34F2N4O2/c1-6-7-17-12-15(8-9-27(17)4)22(19(29)28(5)21(25)26-22)16-10-13(2)18(14(3)11-16)30-20(23)24/h10,14-15,17,20H,6-9,11-12H2,1-5H3,(H2,25,26)/p+2 IDAAKRHOHXIXRL-UHFFFAOYSA-P 519520 US11142505, FAH-68 Beta-secretase 1 Homo sapiens 16100 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 158663185 461596975 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097575 CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)-c1ccccc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C24H21F2N3O2/c1-15-13-19(11-12-20(15)31-22(25)26)24(21(30)29(2)23(27)28-24)18-10-6-9-17(14-18)16-7-4-3-5-8-16/h3-14,22H,1-2H3,(H2,27,28)/p+1 UVSCXZPAWFZNAM-UHFFFAOYSA-O 519521 US11142505, FAH-73 Beta-secretase 1 Homo sapiens 870 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643516 461596976 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097576 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 InChI=1S/C21H17F2N5O2/c1-28-18(29)21(27-20(28)24,15-5-7-17(8-6-15)30-19(22)23)16-4-2-3-13(9-16)14-10-25-12-26-11-14/h2-12,19H,1H3,(H2,24,27) ANTDWUJSWGGYRX-UHFFFAOYSA-N 519522 US11142505, FAH-74 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468766 461596977 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097577 CN1C(N)=[NH+]C(C1=O)(c1ccncc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C17H16F2N4O2/c1-10-9-12(3-4-13(10)25-15(18)19)17(11-5-7-21-8-6-11)14(24)23(2)16(20)22-17/h3-9,15H,1-2H3,(H2,20,22)/p+1 DYXUUUPBUKERLL-UHFFFAOYSA-O 519523 US11142505, FAH-78 Beta-secretase 1 Homo sapiens 2730 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643511 461596978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097578 CN1C(N)=[NH+]C(C2CC[NH2+]CC2)(C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C17H22F2N4O2/c1-10-9-12(3-4-13(10)25-15(18)19)17(11-5-7-21-8-6-11)14(24)23(2)16(20)22-17/h3-4,9,11,15,21H,5-8H2,1-2H3,(H2,20,22)/p+2 YZILECRWIFWJFP-UHFFFAOYSA-P 519524 US11142505, FAH-79 Beta-secretase 1 Homo sapiens 17650 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643528 461596979 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097579 CCCc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C20H22F2N4O2/c1-4-5-15-11-14(8-9-24-15)20(17(27)26(3)19(23)25-20)13-6-7-16(12(2)10-13)28-18(21)22/h6-11,18H,4-5H2,1-3H3,(H2,23,25)/p+1 LUTSMIQGDZQXGW-UHFFFAOYSA-O 519525 US11142505, FAH-80 Beta-secretase 1 Homo sapiens 1670 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643509 461596980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097580 CCCC1CC(CC[NH2+]1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C20H28F2N4O2/c1-4-5-15-11-14(8-9-24-15)20(17(27)26(3)19(23)25-20)13-6-7-16(12(2)10-13)28-18(21)22/h6-7,10,14-15,18,24H,4-5,8-9,11H2,1-3H3,(H2,23,25)/p+2 SKGWSSJOEXXPIK-UHFFFAOYSA-P 519526 US11142505, FAH-81 Beta-secretase 1 Homo sapiens 14880 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141643531 461596981 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097510 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(F)c1 InChI=1S/C18H15F4N3O2/c1-9-5-10(3-4-14(9)27-16(21)22)18(15(26)25(2)17(23)24-18)11-6-12(19)8-13(20)7-11/h3-8,16H,1-2H3,(H2,23,24) GDKGAYIPAAQPCP-UHFFFAOYSA-N 512913 US11091444, Compound FAH-3::US11142505, FAH #3 Beta-secretase 1 Homo sapiens 530 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90352662 459630156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097511 CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H16F3N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23) RYPGTHOZCUSFLF-UHFFFAOYSA-N 512916 US11091444, Compound FAH-17::US11142505, FAH #17 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77106312 459630159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097512 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(C)cc(F)c1 InChI=1S/C19H18F3N3O2/c1-10-6-13(9-14(20)7-10)19(16(26)25(3)18(23)24-19)12-4-5-15(11(2)8-12)27-17(21)22/h4-9,17H,1-3H3,(H2,23,24) NEKKAMXIRZSOGT-UHFFFAOYSA-N 519457 US11142505, FAH #22 Beta-secretase 1 Homo sapiens 710 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321600 461596922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097513 CN1C(N)=NC(C1=O)(c1cccc(Cl)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H16ClF2N3O2/c1-10-8-12(6-7-14(10)26-16(20)21)18(11-4-3-5-13(19)9-11)15(25)24(2)17(22)23-18/h3-9,16H,1-2H3,(H2,22,23) ZKQQAIYNHPUYKK-UHFFFAOYSA-N 519458 US11142505, FAH #23::US11142505, FAH-23 Beta-secretase 1 Homo sapiens 320 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321601 461596923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097514 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(Cl)c1 InChI=1S/C18H15ClF3N3O2/c1-9-5-10(3-4-14(9)27-16(21)22)18(15(26)25(2)17(23)24-18)11-6-12(19)8-13(20)7-11/h3-8,16H,1-2H3,(H2,23,24) SYQPMHSBECIQHR-UHFFFAOYSA-N 519459 US11142505, FAH #25::US11142505, FAH-25 Beta-secretase 1 Homo sapiens 570 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321602 461596924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097515 CN1C(N)=NC(C1=O)(c1cccc(C)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C19H19F2N3O2/c1-11-5-4-6-13(9-11)19(16(25)24(3)18(22)23-19)14-7-8-15(12(2)10-14)26-17(20)21/h4-10,17H,1-3H3,(H2,22,23) CMJPFHOXYNWIPI-UHFFFAOYSA-N 519460 US11142505, FAH #27::US11142505, FAH-27 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25073353 461596925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097516 CN1C(N)=NC(C1=O)(c1cccc(c1)C(F)(F)F)c1ccc(OC(F)F)c(C)c1 InChI=1S/C19H16F5N3O2/c1-10-8-12(6-7-14(10)29-16(20)21)18(15(28)27(2)17(25)26-18)11-4-3-5-13(9-11)19(22,23)24/h3-9,16H,1-2H3,(H2,25,26) JNHPCUDMTGBLRN-UHFFFAOYSA-N 519461 US11142505, FAH #28::US11142505, FAH-28 Beta-secretase 1 Homo sapiens 380 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321603 461596926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097517 CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C16H17F2N5O2/c1-9-6-10(4-5-12(9)25-14(17)18)16(11-7-20-22(2)8-11)13(24)23(3)15(19)21-16/h4-8,14H,1-3H3,(H2,19,21) NVQKXQGFGOGJDU-UHFFFAOYSA-N 519462 US11142505, FAH #30::US11142505, FAH-30 Beta-secretase 1 Homo sapiens 2000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519462&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468759 461596927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097518 CC(F)Oc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(F)c1 InChI=1S/C19H19F2N3O2/c1-11-9-14(7-8-16(11)26-12(2)20)19(13-5-4-6-15(21)10-13)17(25)24(3)18(22)23-19/h4-10,12H,1-3H3,(H2,22,23) GAGBLEKZJFFGTJ-UHFFFAOYSA-N 519463 US11142505, FAH #31 Beta-secretase 1 Homo sapiens 4000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519463&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117753544 461596928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097519 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cccc(c1)-c1cccnc1 InChI=1S/C23H20F2N4O2/c1-14-11-18(8-9-19(14)31-21(24)25)23(20(30)29(2)22(26)28-23)17-7-3-5-15(12-17)16-6-4-10-27-13-16/h3-13,21H,1-2H3,(H2,26,28) NXESIIQMMYSKJZ-UHFFFAOYSA-N 519464 US11142505, FAH #32::US11142505, FAH-32 Beta-secretase 1 Homo sapiens 70.0 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519464&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468306 461596929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097520 CN1C(N)=NC(C1=O)(c1cncnc1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C16H15F2N5O2/c1-9-5-10(3-4-12(9)25-14(17)18)16(11-6-20-8-21-7-11)13(24)23(2)15(19)22-16/h3-8,14H,1-2H3,(H2,19,22) HGCUNKCJWJZRCV-UHFFFAOYSA-N 519465 US11142505, FAH #33::US11142505, FAH-33 Beta-secretase 1 Homo sapiens 10000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468850 461596930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097521 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cncc(F)c1 InChI=1S/C17H15F3N4O2/c1-9-5-10(3-4-13(9)26-15(19)20)17(11-6-12(18)8-22-7-11)14(25)24(2)16(21)23-17/h3-8,15H,1-2H3,(H2,21,23) YQJIQCHQXMEORH-UHFFFAOYSA-N 519466 US11142505, FAH #37::US11142505, FAH-37 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519466&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468767 461596931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097522 CN1C(N)=NC(C1=O)(c1cocn1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C15H14F2N4O3/c1-8-5-9(3-4-10(8)24-13(16)17)15(11-6-23-7-19-11)12(22)21(2)14(18)20-15/h3-7,13H,1-2H3,(H2,18,20) BEFOVIUDCOZRNT-UHFFFAOYSA-N 519467 US11142505, FAH #38::US11142505, FAH-38 Beta-secretase 1 Homo sapiens >10000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519467&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468289 461596932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097523 Cc1cc(ccc1OC(F)F)C1(N=C2NCCC(N2C1=O)c1ccccc1)c1cccc(F)c1 InChI=1S/C26H22F3N3O2/c1-16-14-19(10-11-22(16)34-24(28)29)26(18-8-5-9-20(27)15-18)23(33)32-21(12-13-30-25(32)31-26)17-6-3-2-4-7-17/h2-11,14-15,21,24H,12-13H2,1H3,(H,30,31) FFJRRSCWIYYLHS-UHFFFAOYSA-N 519468 US11142505, FAH #42 Beta-secretase 1 Homo sapiens 2300 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519468&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468339 461596933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097524 COCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)I)c(C)c1 InChI=1S/C20H21FIN3O3/c1-12-9-15(7-8-16(12)28-18(21)22)20(17(26)25(2)19(23)24-20)14-6-4-5-13(10-14)11-27-3/h4-10,18H,11H2,1-3H3,(H2,23,24) YQASHLZZLXYEBR-UHFFFAOYSA-N 519469 US11142505, FAH #44 Beta-secretase 1 Homo sapiens 300 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519469&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 161984069 461596934 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097525 CN1C(N)=NC(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C17H15F3N4O2/c1-9-7-10(3-4-12(9)26-15(19)20)17(11-5-6-22-13(18)8-11)14(25)24(2)16(21)23-17/h3-8,15H,1-2H3,(H2,21,23) BQLKDSHNYNQXGR-UHFFFAOYSA-N 519470 US11142505, FAH #46 Beta-secretase 1 Homo sapiens 1200 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519470&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468342 461596935 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097526 CN1C(N)=NC(C1=O)(c1ccnc(C)c1)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H18F2N4O2/c1-10-8-12(4-5-14(10)26-16(19)20)18(13-6-7-22-11(2)9-13)15(25)24(3)17(21)23-18/h4-9,16H,1-3H3,(H2,21,23) RSAFAPWIONFPGF-UHFFFAOYSA-N 519471 US11142505, FAH #47 Beta-secretase 1 Homo sapiens 1400 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519471&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468859 461596936 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097527 COc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H18F2N4O3/c1-10-8-11(4-5-13(10)27-16(19)20)18(15(25)24(2)17(21)23-18)12-6-7-22-14(9-12)26-3/h4-9,16H,1-3H3,(H2,21,23) XVIKZENOIXNJIF-UHFFFAOYSA-N 519472 US11142505, FAH #48 Beta-secretase 1 Homo sapiens 4800 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519472&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468765 461596937 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097528 COCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C19H20F2N4O3/c1-11-8-12(4-5-15(11)28-17(20)21)19(16(26)25(2)18(22)24-19)13-6-7-23-14(9-13)10-27-3/h4-9,17H,10H2,1-3H3,(H2,22,24) DQYCRINNXBOLPA-UHFFFAOYSA-N 519473 US11142505, FAH #53 Beta-secretase 1 Homo sapiens 2000 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519473&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468333 461596938 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097529 CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C18H23F2N3O2/c1-11-10-13(8-9-14(11)25-16(19)20)18(12-6-4-3-5-7-12)15(24)23(2)17(21)22-18/h8-10,12,16H,3-7H2,1-2H3,(H2,21,22) GFYOSSHXGZUGOY-UHFFFAOYSA-N 519474 US11142505, FAH #59::US11142505, FAH-59 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519474&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468779 461596939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097530 CNCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 InChI=1S/C20H22F2N4O2/c1-12-9-15(7-8-16(12)28-18(21)22)20(17(27)26(3)19(23)25-20)14-6-4-5-13(10-14)11-24-2/h4-10,18,24H,11H2,1-3H3,(H2,23,25) QWDYDRLFXKJQNT-UHFFFAOYSA-N 519475 US11142505, FAH #62 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519475&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138468553 461596940 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097531 CN1C(N)=NC(C1=O)(c1ccccc1)c1cc(F)cc(F)c1 InChI=1S/C16H13F2N3O/c1-21-14(22)16(20-15(21)19,10-5-3-2-4-6-10)11-7-12(17)9-13(18)8-11/h2-9H,1H3,(H2,19,20) YCOJVPUXRDIMND-UHFFFAOYSA-N 512557 US11091444, Compound FAH-1::US11142505, FAH-01 Beta-secretase 1 Homo sapiens 2670 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320963 459629803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097532 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1 InChI=1S/C17H13F4N3O2/c1-24-14(25)17(23-16(24)22,10-6-11(18)8-12(19)7-10)9-2-4-13(5-3-9)26-15(20)21/h2-8,15H,1H3,(H2,22,23) KLIJJUBZGPLUFB-UHFFFAOYSA-N 519477 US11142505, FAH-02 Beta-secretase 1 Homo sapiens 2130 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519477&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78321604 461596942 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097533 CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(N)cc(F)c1 InChI=1S/C18H17F3N4O2/c1-9-5-10(3-4-14(9)27-16(20)21)18(15(26)25(2)17(23)24-18)11-6-12(19)8-13(22)7-11/h3-8,16H,22H2,1-2H3,(H2,23,24) GJZJXXXHJUIXIF-UHFFFAOYSA-N 519478 US11142505, FAH-03 Beta-secretase 1 Homo sapiens 530 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519478&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 158279130 461596943 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097534 CN1C(N)=NC(C1=O)(c1cccc(OC(F)F)c1)c1cc(F)cc(F)c1 InChI=1S/C17H13F4N3O2/c1-24-14(25)17(23-16(24)22,10-5-11(18)8-12(19)6-10)9-3-2-4-13(7-9)26-15(20)21/h2-8,15H,1H3,(H2,22,23) VYQWSURJULGHMB-UHFFFAOYSA-N 512914 US11091444, Compound FAH-4::US11142505, FAH-04 Beta-secretase 1 Homo sapiens 2230 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320965 459630157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097535 CN1C(N)=NC(C1=O)(c1cc(C)cc(C)c1)c1cc(F)cc(F)c1 InChI=1S/C18H17F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9H,1-3H3,(H2,21,22) OLKWRTZAQAQQMO-UHFFFAOYSA-N 512915 US11091444, Compound FAH-5::US11142505, FAH-05 Beta-secretase 1 Homo sapiens 6460 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=512915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=512915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320964 459630158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1097536 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(F)cc(F)c1 InChI=1S/C18H17F2N3O2/c1-10-6-11(4-5-15(10)25-3)18(16(24)23(2)17(21)22-18)12-7-13(19)9-14(20)8-12/h4-9H,1-3H3,(H2,21,22) BJJLLBXFAJHMLX-UHFFFAOYSA-N 519482 US11142505, FAH-06 Beta-secretase 1 Homo sapiens 600 US Patent 10.7270/Q2J969JV aid1805959 US11142505 John, V; Spilman, P; Jagodzinska, B The Regents of the University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=519482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=519482&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78320967 461596947 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894524 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C19H20F2N4O4S/c1-11-8-16-19(10-28-11,24-18(22)25(2)30(16,26)27)13-9-12(5-6-14(13)20)29-17-15(21)4-3-7-23-17/h3-7,9,11,16H,8,10H2,1-2H3,(H2,22,24)/t11-,16+,19+/m0/s1 AODZWHJDYVNTJZ-YARKZXGKSA-N 439198 US10604534, Example 1 Beta-secretase 1 Homo sapiens 3.40 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462328 439660771 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894526 COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2S(=O)(=O)N(C)C(=N)N3)n1 InChI=1S/C19H22FN5O5S/c1-11-8-15-19(10-29-11,24-17(21)25(2)31(15,26)27)13-9-12(4-5-14(13)20)30-18-22-7-6-16(23-18)28-3/h4-7,9,11,15H,8,10H2,1-3H3,(H2,21,24)/t11-,15+,19+/m0/s1 XPLUJYICMPHZLT-SVBQJQNYSA-N 439199 US10604534, Example 2 Beta-secretase 1 Homo sapiens 7.50 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137474676 439660772 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894528 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C20H20FN5O4S/c1-12-7-17-20(11-29-12,25-19(23)26(2)31(17,27)28)15-9-14(3-4-16(15)21)30-18-8-13(10-22)5-6-24-18/h3-6,8-9,12,17H,7,11H2,1-2H3,(H2,23,25)/t12-,17+,20+/m0/s1 VLTDDKJCFRXASZ-LCIZUOBNSA-N 439200 US10604534, Example 3 Beta-secretase 1 Homo sapiens 2.70 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462329 439660773 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894530 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F InChI=1S/C18H19F2N5O4S/c1-10-5-15-18(8-28-10,24-17(21)25(2)30(15,26)27)12-6-11(3-4-13(12)19)29-16-14(20)7-22-9-23-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H2,21,24)/t10-,15+,18+/m0/s1 XFUDMMDTCQTWKA-WQFPPAFTSA-N 439201 US10604534, Example 4 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462315 439660774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894532 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C19H19F3N4O4S/c1-10-5-16-19(9-29-10,25-18(23)26(2)31(16,27)28)13-7-12(3-4-14(13)21)30-17-15(22)6-11(20)8-24-17/h3-4,6-8,10,16H,5,9H2,1-2H3,(H2,23,25)/t10-,16+,19+/m0/s1 FDBZCNFCPZYJMR-INZKUCGCSA-N 439202 US10604534, Example 5 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462324 439660775 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894534 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F InChI=1S/C19H19F3N4O4S/c1-10-5-16-19(9-29-10,25-18(23)26(2)31(16,27)28)13-7-12(3-4-14(13)21)30-15-6-11(20)8-24-17(15)22/h3-4,6-8,10,16H,5,9H2,1-2H3,(H2,23,25)/t10-,16+,19+/m0/s1 FIAQQUCFFLBBCW-INZKUCGCSA-N 439203 US10604534, Example 6 Beta-secretase 1 Homo sapiens 7.10 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462322 439660776 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894536 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C18H24FN3O4S/c1-11-7-16-18(10-26-11,21-17(20)22(2)27(16,23)24)14-8-13(5-6-15(14)19)25-9-12-3-4-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3,(H2,20,21)/t11-,16+,18+/m0/s1 XRWJNSMTNNCTLX-LIXBPZJASA-N 439205 US10604534, Example 7 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462323 439660778 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894538 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F InChI=1S/C21H25FN4O4S/c1-13-5-17-21(12-29-13,25-18(24)26(2)31(17,27)28)15-6-14(3-4-16(15)22)30-11-20-7-19(8-20,9-20)10-23/h3-4,6,13,17H,5,7-9,11-12H2,1-2H3,(H2,24,25)/t13-,17+,19?,20?,21+/m0/s1 YUUYEMHUKXOIQP-CACMTQRNSA-N 439242 US10604534, Example 8 Beta-secretase 1 Homo sapiens 9.10 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462310 439660808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894540 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cncc(OC)n2)ccc1F InChI=1S/C20H24FN5O6S/c1-26-19(22)25-20(11-31-13(10-29-2)7-16(20)33(26,27)28)14-6-12(4-5-15(14)21)32-18-9-23-8-17(24-18)30-3/h4-6,8-9,13,16H,7,10-11H2,1-3H3,(H2,22,25)/t13-,16-,20-/m1/s1 XWNCHOQFVBWCNL-OWDMVUQNSA-N 439249 US10604534, Example 9 Beta-secretase 1 Homo sapiens 4.60 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462319 439660813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894542 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C21H22FN5O5S/c1-27-20(24)26-21(12-31-15(11-30-2)9-18(21)33(27,28)29)16-8-14(3-4-17(16)22)32-19-7-13(10-23)5-6-25-19/h3-8,15,18H,9,11-12H2,1-2H3,(H2,24,26)/t15-,18-,21-/m1/s1 IKXTYERQAYAFRG-FQELHTAISA-N 439250 US10604534, Example 10 Beta-secretase 1 Homo sapiens 1.90 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462330 439660814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894544 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F InChI=1S/C19H21F2N5O5S/c1-26-18(22)25-19(9-30-12(8-29-2)6-16(19)32(26,27)28)13-5-11(3-4-14(13)20)31-17-15(21)7-23-10-24-17/h3-5,7,10,12,16H,6,8-9H2,1-2H3,(H2,22,25)/t12-,16-,19-/m1/s1 XBFTYZYAZCATII-SMNXXWJPSA-N 439294 US10604534, Example 11 Beta-secretase 1 Homo sapiens 5.90 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130302452 439660853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894546 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-18-16(23)5-11(21)8-25-18/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1 JKCJILQQIJXQMN-YXKFXFPPSA-N 439295 US10604534, Example 12 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130302451 439660854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894548 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-16-5-11(21)8-25-18(16)23/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1 OGEVSLFGHQATOX-YXKFXFPPSA-N 439296 US10604534, Example 13 Beta-secretase 1 Homo sapiens 2.10 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130302449 439660855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894550 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C19H26FN3O5S/c1-23-18(21)22-19(11-28-14(10-26-2)8-17(19)29(23,24)25)15-7-13(5-6-16(15)20)27-9-12-3-4-12/h5-7,12,14,17H,3-4,8-11H2,1-2H3,(H2,21,22)/t14-,17-,19-/m1/s1 IXDJWXKMAOIDHJ-LSBZLQRGSA-N 439297 US10604534, Example 14 Beta-secretase 1 Homo sapiens 7.90 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462327 439660856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894552 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F InChI=1S/C22H27FN4O5S/c1-27-19(25)26-22(13-32-15(7-30-2)6-18(22)33(27,28)29)16-5-14(3-4-17(16)23)31-12-21-8-20(9-21,10-21)11-24/h3-5,15,18H,6-10,12-13H2,1-2H3,(H2,25,26)/t15-,18-,20?,21?,22-/m1/s1 XZHMPTVEHPFOGM-HXLKAGCFSA-N 439298 US10604534, Example 15 Beta-secretase 1 Homo sapiens 9.10 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462320 439660857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894554 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2)ccc1F InChI=1S/C20H23FN4O5S/c1-25-19(22)24-20(12-29-15(11-28-2)9-18(20)31(25,26)27)16-8-13(5-6-17(16)21)30-14-4-3-7-23-10-14/h3-8,10,15,18H,9,11-12H2,1-2H3,(H2,22,24)/t15-,18-,20-/m1/s1 YFHWXSNPSQPXEP-XFQXTVEOSA-N 439299 US10604534, Example 16 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462309 439660858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894556 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccc(c2)C#N)ccc1F InChI=1S/C22H23FN4O5S/c1-27-21(25)26-22(13-31-17(12-30-2)10-20(22)33(27,28)29)18-9-16(6-7-19(18)23)32-15-5-3-4-14(8-15)11-24/h3-9,17,20H,10,12-13H2,1-2H3,(H2,25,26)/t17-,20-,22-/m1/s1 VAIHLFMEYBLAOV-NQSCKRDGSA-N 439300 US10604534, Example 17 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462313 439660859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894558 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2F)ccc1F InChI=1S/C20H22F2N4O5S/c1-26-19(23)25-20(11-30-13(10-29-2)9-17(20)32(26,27)28)14-8-12(5-6-15(14)21)31-16-4-3-7-24-18(16)22/h3-8,13,17H,9-11H2,1-2H3,(H2,23,25)/t13-,17-,20-/m1/s1 FHBSPTRNXIDIQS-YXKFXFPPSA-N 439301 US10604534, Example 18 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137474684 439660860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 894560 COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cnccc2Cl)ccc1F InChI=1S/C20H22ClFN4O5S/c1-26-19(23)25-20(11-30-13(10-29-2)8-18(20)32(26,27)28)14-7-12(3-4-16(14)22)31-17-9-24-6-5-15(17)21/h3-7,9,13,18H,8,10-11H2,1-2H3,(H2,23,25)/t13-,18-,20-/m1/s1 KUMAPADHTBFEKZ-CFSSXQINSA-N 439302 US10604534, Example 19 Beta-secretase 1 Homo sapiens 203 US Patent 10.7270/Q2057JXQ aid1804360 US10604534 Walsh, SP; Cumming, JN; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=439302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=439302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130302450 439660861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893468 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14ClF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 FGBKLHOHAIWKKJ-SFHVURJKSA-N 230865 US10045974, 1::US10603310, Compound 1::US9346797, 1 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317073 336950203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893469 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14F6N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 YODJQLZHGBACFL-SFHVURJKSA-N 230866 US10045974, 2::US10603310, Compound 2::US9346797, 2 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230866&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317085 336950204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893470 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZQKVKDGKIDOTQN-SFHVURJKSA-N 230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3 Beta-secretase 1 Homo sapiens 8.50 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317100 336950205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893471 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C17H15F5N4O2/c1-8-24-12(7-28-8)14(27)25-9-2-3-11(18)10(6-9)17(15(19)20)16(21,22)5-4-13(23)26-17/h2-3,6-7,15H,4-5H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 BWFWHBMZSDOQJG-KRWDZBQOSA-N 230868 US10045974, 4::US10603310, Compound 4::US9346797, 4 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230868&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317082 336950206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893472 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 PEEPRUHZLOVBDY-IBGZPJMESA-N 230869 US10045974, 13::US10603310, Compound 13::US9346797, 13::US9346797, 5 Beta-secretase 1 Homo sapiens 6.70 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317061 336950207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893473 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3cnc(cn3)C(F)F)ccc2F)C(F)(F)CC1 InChI=1S/C18H14F7N5O/c19-10-2-1-8(29-15(31)12-7-27-11(6-28-12)14(20)21)5-9(10)18(16(22)23)17(24,25)4-3-13(26)30-18/h1-2,5-7,14,16H,3-4H2,(H2,26,30)(H,29,31)/t18-/m0/s1 ISIOLQNTVCENIT-SFHVURJKSA-N 230870 US10045974, 6::US10603310, Compound 6::US9346797, 6 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317083 336950208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893474 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1 LVZMRYZGHRCXBS-IBGZPJMESA-N 230871 US10045974, 7::US10603310, Compound 7::US9346797, 7 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230871&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317086 336950209 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893475 Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C17H15F5N4OS/c1-8-7-28-14(24-8)13(27)25-9-2-3-11(18)10(6-9)17(15(19)20)16(21,22)5-4-12(23)26-17/h2-3,6-7,15H,4-5H2,1H3,(H2,23,26)(H,25,27)/t17-/m0/s1 FQFYIKGRQWRTRM-KRWDZBQOSA-N 230872 US10045974, 8::US10603310, Compound 8::US9346797, 8 Beta-secretase 1 Homo sapiens 71.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230872&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317059 336950210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893476 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-10-7-25-14(26-8-10)15(29)27-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZOJVANVWTPGCGF-SFHVURJKSA-N 228168 (S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypyrimidine-2-carboxamide (Compound 9)::US10045974, 9::US10603310, Compound 9 Beta-secretase 1 Homo sapiens 6.90 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89473761 375077111 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893477 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 InChI=1S/C19H18F5N5O2/c1-9-15(26-8-14(27-9)31-2)16(30)28-10-3-4-12(20)11(7-10)19(17(21)22)18(23,24)6-5-13(25)29-19/h3-4,7-8,17H,5-6H2,1-2H3,(H2,25,29)(H,28,30)/t19-/m0/s1 OXHGYPKMJMHUJT-IBGZPJMESA-N 230874 US10045974, 10::US10603310, Compound 10::US9346797, 10 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317105 336950212 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893478 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1 BMEKAAPGFZBYOC-FQEVSTJZSA-N 228170 (S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-cyano-3-methylpicolinamide (Compound 11)::BDBM230875::US10045974, 11::US10603310, Compound 11 Beta-secretase 1 Homo sapiens 7.80 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=228170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=228170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89462651 375077113 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893479 NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1 SCASMRHOWHFBAH-SFHVURJKSA-N 230876 US10045974, 12::US10603310, Compound 12::US9346797, 12 Beta-secretase 1 Homo sapiens 6.10 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230876&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317075 336950214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893480 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1 PEEPRUHZLOVBDY-IBGZPJMESA-N 230869 US10045974, 13::US10603310, Compound 13::US9346797, 13::US9346797, 5 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230869&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317061 336950207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 893481 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1 ZQKVKDGKIDOTQN-SFHVURJKSA-N 230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q24X5BTZ aid1804350 US10603310 Juhl, K; Tagmose, L; Marigo, M H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=230867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=230867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121317100 336950205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51246998 C\C(CC\C=C(/C)CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\Cc1cc(ccc1O)C(O)=O InChI=1S/C27H36O5/c1-19(8-5-9-20(2)12-7-13-22(4)26(29)30)10-6-11-21(3)14-15-23-18-24(27(31)32)16-17-25(23)28/h9-10,13-14,16-18,28H,5-8,11-12,15H2,1-4H3,(H,29,30)(H,31,32)/b19-10+,20-9+,21-14+,22-13+ HVFKKNBENQFRKJ-RSNZTBBNSA-N 50510073 CHEMBL4443976 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1021/acs.jnatprod.8b01092 10.7270/Q279480Q 31244141 Yatsu, G; Kino, Y; Sasaki, H; Satoh, JI; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510073&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 101242500 440718658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51246999 C\C(CC\C=C(/C)C(O)=O)=C/CCC(=C)C(O)CC\C(C)=C\Cc1cc(ccc1O)C(O)=O InChI=1S/C27H36O6/c1-18(8-6-10-21(4)26(30)31)7-5-9-20(3)24(28)15-12-19(2)11-13-22-17-23(27(32)33)14-16-25(22)29/h7,10-11,14,16-17,24,28-29H,3,5-6,8-9,12-13,15H2,1-2,4H3,(H,30,31)(H,32,33)/b18-7+,19-11+,21-10+ LMZMZNYDMJLIQJ-BWPQMLQWSA-N 50510074 CHEMBL4533100 Beta-secretase 1 Homo sapiens 14700 ChEMBL 10.1021/acs.jnatprod.8b01092 10.7270/Q279480Q 31244141 Yatsu, G; Kino, Y; Sasaki, H; Satoh, JI; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510074&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155547763 440718659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247000 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jnatprod.8b01092 10.7270/Q279480Q 31244141 Yatsu, G; Kino, Y; Sasaki, H; Satoh, JI; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247001 C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC1(C)Oc2ccc(cc2C=C1)C(O)=O InChI=1S/C27H34O5/c1-19(10-6-12-21(3)25(28)29)8-5-9-20(2)11-7-16-27(4)17-15-22-18-23(26(30)31)13-14-24(22)32-27/h8,11-15,17-18H,5-7,9-10,16H2,1-4H3,(H,28,29)(H,30,31)/b19-8+,20-11+,21-12+ MACAIIRJCAQXTM-RCFDSEIBSA-N 50510075 CHEMBL4576721 Beta-secretase 1 Homo sapiens 11400 ChEMBL 10.1021/acs.jnatprod.8b01092 10.7270/Q279480Q 31244141 Yatsu, G; Kino, Y; Sasaki, H; Satoh, JI; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510075&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155553812 440718660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51261773 Oc1ccc2[nH]c(CCNC(=O)\C=C\c3ccccc3)cc2c1 InChI=1S/C19H18N2O2/c22-17-7-8-18-15(13-17)12-16(21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+ JBJYNQJTYLNRGI-RMKNXTFCSA-N 50515484 CHEMBL4588220 Beta-secretase 1 Homo sapiens 86700 ChEMBL 10.1016/j.ejmech.2019.07.064 10.7270/Q2V69NXT 31376564 Gaikwad, N; Nanduri, S; Madhavi, YV National Institute of Pharmaceutical Education and Research (NIPER) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50515484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50515484&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155567198 440724066 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263573 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 269 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263574 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Br)c1 InChI=1S/C16H14BrN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19) JJAICPQAWSIWNG-UHFFFAOYSA-N 50516145 CHEMBL4521033 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16750202 440724727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263575 COc1ccc(c(OC)c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-9-5-4-6-10-17)18-11-7-8-16(14-18)20-13-12-19(29-2)15-21(20)30-3/h4-15H,1-3H3,(H2,25,26) MWGYVEFNASDZKA-UHFFFAOYSA-N 50516146 CHEMBL4543671 Beta-secretase 1 Homo sapiens 1575 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155552470 440724728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263576 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(F)cc1C InChI=1S/C23H20FN3O/c1-15-13-19(24)11-12-20(15)16-7-6-10-18(14-16)23(17-8-4-3-5-9-17)21(28)27(2)22(25)26-23/h3-14H,1-2H3,(H2,25,26) CRQJBAVQECTLLC-UHFFFAOYSA-N 50516147 CHEMBL4453649 Beta-secretase 1 Homo sapiens 456 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155522872 440724729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263577 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) RNWLAFWLSSMCLN-UHFFFAOYSA-N 50300229 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine::2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one::2-amino-1-methyl-4,4-diphenyl-1H-imidazol-5(4H)-one::5,5-Diphenyl-2-iminohydantoin::CHEMBL291784 Beta-secretase 1 Homo sapiens 3484 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 15054176 104154590 CHEMBL291784 ZINC29544241 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263578 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(cc1)-c1ccccc1 InChI=1S/C28H23N3O/c1-31-26(32)28(30-27(31)29,24-12-6-3-7-13-24)25-14-8-11-23(19-25)22-17-15-21(16-18-22)20-9-4-2-5-10-20/h2-19H,1H3,(H2,29,30) CSFICYUCFDVENJ-UHFFFAOYSA-N 50516148 CHEMBL4513532 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538886 440724730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263579 COc1cc(OC)cc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(12-19)17-13-20(29-2)15-21(14-17)30-3/h4-15H,1-3H3,(H2,25,26) CWMOSIFYRGEUMT-UHFFFAOYSA-N 50516149 CHEMBL4537971 Beta-secretase 1 Homo sapiens 851 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155549546 440724731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263580 COc1ccc(cc1OC)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(14-19)17-12-13-20(29-2)21(15-17)30-3/h4-15H,1-3H3,(H2,25,26) PYKFZFKTVYQQKM-UHFFFAOYSA-N 50516150 CHEMBL4534367 Beta-secretase 1 Homo sapiens 119 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155547003 440724732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263581 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(cc1)C(C)(C)C InChI=1S/C26H27N3O/c1-25(2,3)20-15-13-18(14-16-20)19-9-8-12-22(17-19)26(21-10-6-5-7-11-21)23(30)29(4)24(27)28-26/h5-17H,1-4H3,(H2,27,28) XWZDTHREKSVXEK-UHFFFAOYSA-N 50516151 CHEMBL4453759 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155522578 440724733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263582 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)cc1F InChI=1S/C23H20FN3O/c1-15-11-12-19(20(24)13-15)16-7-6-10-18(14-16)23(17-8-4-3-5-9-17)21(28)27(2)22(25)26-23/h3-14H,1-2H3,(H2,25,26) AHRDHDBNZVWQLM-UHFFFAOYSA-N 50516152 CHEMBL4474090 Beta-secretase 1 Homo sapiens 141 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155536581 440724734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263583 COc1cccc(OC)c1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-10-5-4-6-11-17)18-12-7-9-16(15-18)21-19(29-2)13-8-14-20(21)30-3/h4-15H,1-3H3,(H2,25,26) NGKJCNMHSBQUQV-UHFFFAOYSA-N 50516153 CHEMBL4463101 Beta-secretase 1 Homo sapiens 721 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155529695 440724735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263584 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1c(C)cccc1C InChI=1S/C24H23N3O/c1-16-9-7-10-17(2)21(16)18-11-8-14-20(15-18)24(19-12-5-4-6-13-19)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26) XDRDIAWLSMUCBG-UHFFFAOYSA-N 50516154 CHEMBL4468332 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155532930 440724736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263585 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(C)cc(C)c1 InChI=1S/C24H23N3O/c1-16-12-17(2)14-19(13-16)18-8-7-11-21(15-18)24(20-9-5-4-6-10-20)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26) YNFLDFOKBAVMKP-UHFFFAOYSA-N 50516155 CHEMBL4519732 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155541886 440724737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263586 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)c(C)c1 InChI=1S/C24H23N3O/c1-16-12-13-19(14-17(16)2)18-8-7-11-21(15-18)24(20-9-5-4-6-10-20)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26) MUVQZBXSSIINDK-UHFFFAOYSA-N 50516156 CHEMBL4547714 Beta-secretase 1 Homo sapiens 425 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155553358 440724738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263587 COc1cccc(-c2cccc(c2)C2(N=C(N)N(C)C2=O)c2ccccc2)c1OC InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-10-5-4-6-11-17)18-12-7-9-16(15-18)19-13-8-14-20(29-2)21(19)30-3/h4-15H,1-3H3,(H2,25,26) NRRKBVGECLBIFF-UHFFFAOYSA-N 50516157 CHEMBL4443833 Beta-secretase 1 Homo sapiens 1109 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155516817 440724739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263588 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)cc1C InChI=1S/C24H23N3O/c1-16-12-13-21(17(2)14-16)18-8-7-11-20(15-18)24(19-9-5-4-6-10-19)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26) ULTZLEAEPXMGHB-UHFFFAOYSA-N 50516158 CHEMBL4573307 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155563180 440724740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263589 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(OCc2ccccc2)cc1 InChI=1S/C29H25N3O2/c1-32-27(33)29(31-28(32)30,24-12-6-3-7-13-24)25-14-8-11-23(19-25)22-15-17-26(18-16-22)34-20-21-9-4-2-5-10-21/h2-19H,20H2,1H3,(H2,30,31) LNUHXFGEOQKKLC-UHFFFAOYSA-N 50516159 CHEMBL4441458 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25063645 440724741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263590 COc1cccc(-c2cccc(c2)C2(N=C(N)N(C)C2=O)c2ccccc2)c1F InChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-9-4-3-5-10-16)17-11-6-8-15(14-17)18-12-7-13-19(29-2)20(18)24/h3-14H,1-2H3,(H2,25,26) HQNQQPWBCXNWHL-UHFFFAOYSA-N 50516160 CHEMBL4445450 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155517840 440724742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263591 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1c(C)cc(C)cc1C InChI=1S/C25H25N3O/c1-16-13-17(2)22(18(3)14-16)19-9-8-12-21(15-19)25(20-10-6-5-7-11-20)23(29)28(4)24(26)27-25/h5-15H,1-4H3,(H2,26,27) AMWBOZVEVJNECC-UHFFFAOYSA-N 50516161 CHEMBL4451087 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155521616 440724743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263592 CCc1ccc(cc1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O/c1-3-17-12-14-18(15-13-17)19-8-7-11-21(16-19)24(20-9-5-4-6-10-20)22(28)27(2)23(25)26-24/h4-16H,3H2,1-2H3,(H2,25,26) IOEHXLGDDADUGK-UHFFFAOYSA-N 50516162 CHEMBL4471803 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516162&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155535061 440724744 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263593 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(C)ccc1C InChI=1S/C24H23N3O/c1-16-12-13-17(2)21(14-16)18-8-7-11-20(15-18)24(19-9-5-4-6-10-19)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26) NXYPCZCZGOBXRM-UHFFFAOYSA-N 50516163 CHEMBL4587978 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155567555 440724745 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263594 COc1ccc(OC)c(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-9-5-4-6-10-17)18-11-7-8-16(14-18)20-15-19(29-2)12-13-21(20)30-3/h4-15H,1-3H3,(H2,25,26) OKEXMHVVTSDPOF-UHFFFAOYSA-N 50516164 CHEMBL4550145 Beta-secretase 1 Homo sapiens 195 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155550335 440724746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263595 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccc(c1)-c1ccccc1 InChI=1S/C28H23N3O/c1-31-26(32)28(30-27(31)29,24-15-6-3-7-16-24)25-17-9-14-23(19-25)22-13-8-12-21(18-22)20-10-4-2-5-11-20/h2-19H,1H3,(H2,29,30) RMAXPKCSJAUMAL-UHFFFAOYSA-N 50516165 CHEMBL4476191 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538181 440724747 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263596 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(F)ccc1C InChI=1S/C23H20FN3O/c1-15-11-12-19(24)14-20(15)16-7-6-10-18(13-16)23(17-8-4-3-5-9-17)21(28)27(2)22(25)26-23/h3-14H,1-2H3,(H2,25,26) OHEKMGYANKEYGO-UHFFFAOYSA-N 50516166 CHEMBL4434956 Beta-secretase 1 Homo sapiens 328 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155510649 440724748 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51263597 COc1ccc(F)cc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 InChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(24)11-12-20(19)29-2/h3-14H,1-2H3,(H2,25,26) LEDJECMVYCHWLV-UHFFFAOYSA-N 50516167 CHEMBL4463504 Beta-secretase 1 Homo sapiens 174 ChEMBL 10.1016/j.bmcl.2019.126772 10.7270/Q2959MX3 31711785 Fan, TY; Wu, WY; Yu, SP; Zhong, Y; Zhao, C; Chen, M; Li, HM; Li, NG; Chen, Z; Chen, S; Sun, ZH; Duan, JA; Shi, ZH Nanjing University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155530168 440724749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51265785 Clc1ccc(Cn2cc(COc3ccc(\C=N\Nc4nnc(-c5ccccc5)c(n4)-c4ccccc4)cc3)nn2)cc1 InChI=1S/C32H25ClN8O/c33-27-15-11-24(12-16-27)20-41-21-28(36-40-41)22-42-29-17-13-23(14-18-29)19-34-38-32-35-30(25-7-3-1-4-8-25)31(37-39-32)26-9-5-2-6-10-26/h1-19,21H,20,22H2,(H,35,38,39)/b34-19+ JFKMIYOADQBVOH-ALQBTCKLSA-N 50516948 CHEMBL4547910 Beta-secretase 1 Homo sapiens 8550 ChEMBL 10.1016/j.ejmech.2019.07.059 10.7270/Q22B92D9 31352246 Xu, M; Peng, Y; Zhu, L; Wang, S; Ji, J; Rakesh, KP Wuhan Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155553890 440725530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51265796 [O-][N+](=O)c1ccc(Cn2cc(COc3ccc(\C=N\Nc4nnc(-c5ccccc5)c(n4)-c4ccccc4)cc3)nn2)cc1 InChI=1S/C32H25N9O3/c42-41(43)28-15-11-24(12-16-28)20-40-21-27(35-39-40)22-44-29-17-13-23(14-18-29)19-33-37-32-34-30(25-7-3-1-4-8-25)31(36-38-32)26-9-5-2-6-10-26/h1-19,21H,20,22H2,(H,34,37,38)/b33-19+ PRLFIHJIZUSELH-HNSNBQBZSA-N 50516958 CHEMBL4556299 Beta-secretase 1 Homo sapiens 11420 ChEMBL 10.1016/j.ejmech.2019.07.059 10.7270/Q22B92D9 31352246 Xu, M; Peng, Y; Zhu, L; Wang, S; Ji, J; Rakesh, KP Wuhan Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516958&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155557043 440725540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249202 C[C@@]1(N=C(N)S[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H15ClF2N4OS/c1-18(10-6-14(10)27-17(22)25-18)11-4-9(5-12(20)15(11)21)24-16(26)13-3-2-8(19)7-23-13/h2-5,7,10,14H,6H2,1H3,(H2,22,25)(H,24,26)/t10-,14+,18+/m1/s1 GPAXGFDBMSTBMT-RHXQLXPWSA-N 50510973 CHEMBL4460278 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866094 440719555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249203 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C20H19ClF2N4O2S/c1-19(15-7-20(15,9-29-2)30-18(24)27-19)12-5-11(6-13(22)16(12)23)26-17(28)14-4-3-10(21)8-25-14/h3-6,8,15H,7,9H2,1-2H3,(H2,24,27)(H,26,28)/t15-,19+,20+/m0/s1 HYUOULLGMKCVMR-CWFSZBLJSA-N 50510974 CHEMBL4456863 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118884907 440719556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249205 CCCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)S[C@@]2(COC)C[C@@H]12 InChI=1S/C22H25F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 KJGHYDVBLIXARQ-KNXBSLHKSA-N 50510975 CHEMBL4575413 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155563658 440719557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249206 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 IPUJINDWAGRAHN-KNXBSLHKSA-N 50510976 CHEMBL4560579 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search P6J 6PZ4 118866105 440719558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249210 C[C@@]1(N=C(N)S[C@@]2(CO)C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H17ClF2N4O2S/c1-18(14-6-19(14,8-27)29-17(23)26-18)11-4-10(5-12(21)15(11)22)25-16(28)13-3-2-9(20)7-24-13/h2-5,7,14,27H,6,8H2,1H3,(H2,23,26)(H,25,28)/t14-,18+,19+/m0/s1 SYUXGKTZZPXWFX-GDIGMMSISA-N 50510979 CHEMBL4575752 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866030 440719561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249211 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H15ClF4N4OS/c1-18(13-6-19(13,16(23)24)30-17(25)28-18)10-4-9(5-11(21)14(10)22)27-15(29)12-3-2-8(20)7-26-12/h2-5,7,13,16H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,18+,19-/m0/s1 WDWGHBQCXQLANW-BKTGTZMESA-N 50510980 CHEMBL4457316 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866838 440719562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249212 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H16ClF2N5O2S/c1-18(13-6-19(13,16(23)29)30-17(24)27-18)10-4-9(5-11(21)14(10)22)26-15(28)12-3-2-8(20)7-25-12/h2-5,7,13H,6H2,1H3,(H2,23,29)(H2,24,27)(H,26,28)/t13-,18+,19-/m0/s1 GFKZOZZWSTUQPW-BKTGTZMESA-N 50510981 CHEMBL4468455 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866474 440719563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249213 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C21H20ClF2N5O2S/c1-20(15-8-21(15,18(31)29(2)3)32-19(25)28-20)12-6-11(7-13(23)16(12)24)27-17(30)14-5-4-10(22)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,30)/t15-,20+,21-/m0/s1 RCUZRYJQRFWFIH-RVHYNSKXSA-N 50510982 CHEMBL4473740 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866347 440719564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249214 C[C@@]1(N=C(N)S[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H15ClF2N4OS/c1-18(10-6-14(10)27-17(22)25-18)11-4-9(5-12(20)15(11)21)24-16(26)13-3-2-8(19)7-23-13/h2-5,7,10,14H,6H2,1H3,(H2,22,25)(H,24,26)/t10-,14+,18+/m1/s1 GPAXGFDBMSTBMT-RHXQLXPWSA-N 50510973 CHEMBL4460278 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866094 440719555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249215 C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H16ClF3N4OS/c1-18(14-6-19(14,8-21)29-17(24)27-18)11-4-10(5-12(22)15(11)23)26-16(28)13-3-2-9(20)7-25-13/h2-5,7,14H,6,8H2,1H3,(H2,24,27)(H,26,28)/t14-,18+,19+/m0/s1 UKZKWTZATFOTDT-GDIGMMSISA-N 50510978 CHEMBL4539909 Beta-secretase 1 Homo sapiens 2.4 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866454 440719560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249216 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H16ClF2N5O2S/c1-18(13-6-19(13,16(23)29)30-17(24)27-18)10-4-9(5-11(21)14(10)22)26-15(28)12-3-2-8(20)7-25-12/h2-5,7,13H,6H2,1H3,(H2,23,29)(H2,24,27)(H,26,28)/t13-,18+,19-/m0/s1 GFKZOZZWSTUQPW-BKTGTZMESA-N 50510981 CHEMBL4468455 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510981&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866474 440719563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249217 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C20H18ClF2N5O2S/c1-19(14-7-20(14,17(30)25-2)31-18(24)28-19)11-5-10(6-12(22)15(11)23)27-16(29)13-4-3-9(21)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,24,28)(H,25,30)(H,27,29)/t14-,19+,20-/m0/s1 ZGDXVGJMLHLEPG-KPOBHBOGSA-N 50510983 CHEMBL4475533 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538074 440719565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249218 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C21H20ClF2N5O2S/c1-20(15-8-21(15,18(31)29(2)3)32-19(25)28-20)12-6-11(7-13(23)16(12)24)27-17(30)14-5-4-10(22)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,30)/t15-,20+,21-/m0/s1 RCUZRYJQRFWFIH-RVHYNSKXSA-N 50510982 CHEMBL4473740 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866347 440719564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249222 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C23H22F2N4O3S/c1-4-7-32-14-5-6-17(27-11-14)20(30)28-13-8-15(19(25)16(24)9-13)22(2)18-10-23(18,12-31-3)33-21(26)29-22/h1,5-6,8-9,11,18H,7,10,12H2,2-3H3,(H2,26,29)(H,28,30)/t18-,22+,23+/m0/s1 XMBDVYLJVOJVAJ-CDNPAEQRSA-N 50510984 CHEMBL4456778 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118885049 440719566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249223 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ncc(OCC#C)cc2C)cc(F)c1F InChI=1S/C24H24F2N4O3S/c1-5-6-33-15-7-13(2)20(28-11-15)21(31)29-14-8-16(19(26)17(25)9-14)23(3)18-10-24(18,12-32-4)34-22(27)30-23/h1,7-9,11,18H,6,10,12H2,2-4H3,(H2,27,30)(H,29,31)/t18-,23+,24+/m0/s1 YCXRAGJRMCYSLB-NTUVXCKYSA-N 50510972 CHEMBL4452318 Beta-secretase 1 Homo sapiens 1.8 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866133 440719554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249224 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C21H20F5N5O3S/c1-19(14-5-20(14,8-33-2)35-18(27)31-19)11-3-10(4-12(22)16(11)23)30-17(32)13-6-29-15(7-28-13)34-9-21(24,25)26/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,27,31)(H,30,32)/t14-,19+,20+/m0/s1 LMVCXQSYVBPNAZ-VHKYSDTDSA-N 50510985 CHEMBL4579155 Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866551 440719567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249225 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 IPUJINDWAGRAHN-KNXBSLHKSA-N 50510976 CHEMBL4560579 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510976&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search P6J 6PZ4 118866105 440719558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249226 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F InChI=1S/C23H22F2N6O4S/c1-22(16-7-23(16,11-33-2)36-21(26)31-22)13-5-12(6-14(24)19(13)25)30-20(32)15-8-29-17(9-28-15)35-10-18-27-3-4-34-18/h3-6,8-9,16H,7,10-11H2,1-2H3,(H2,26,31)(H,30,32)/t16-,22+,23+/m0/s1 LPXQIVMHUYETDK-PBNUPURSSA-N 50510986 CHEMBL4459222 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866177 440719568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249227 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C23H22F2N6O3S/c1-5-6-34-17-11-27-15(10-28-17)19(32)29-12-7-13(18(25)14(24)8-12)22(2)16-9-23(16,20(33)31(3)4)35-21(26)30-22/h1,7-8,10-11,16H,6,9H2,2-4H3,(H2,26,30)(H,29,32)/t16-,22+,23-/m0/s1 PENUXFUKWLPNBH-FNVCAUGXSA-N 50510987 CHEMBL4472708 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118865901 440719569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249228 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C22H21F5N4O3S/c1-20(16-7-21(16,9-33-2)35-19(28)31-20)13-5-11(6-14(23)17(13)24)30-18(32)15-4-3-12(8-29-15)34-10-22(25,26)27/h3-6,8,16H,7,9-10H2,1-2H3,(H2,28,31)(H,30,32)/t16-,20+,21+/m0/s1 BTFGNNJIHJZEND-ZLGUVYLKSA-N 50510988 CHEMBL4461994 Beta-secretase 1 Homo sapiens 52 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866737 440719570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249229 CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)S[C@@]2(COC)C[C@@H]12 InChI=1S/C21H23F2N5O3S/c1-4-31-16-9-25-14(8-26-16)18(29)27-11-5-12(17(23)13(22)6-11)20(2)15-7-21(15,10-30-3)32-19(24)28-20/h5-6,8-9,15H,4,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15-,20+,21+/m0/s1 JMBJLUDMTZCGCO-IWMITWMQSA-N 50510989 CHEMBL4593414 Beta-secretase 1 Homo sapiens 4.2 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866403 440719571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249230 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C21H20F5N5O3S/c1-19(14-5-20(14,8-33-2)35-18(27)31-19)11-3-10(4-12(22)16(11)23)30-17(32)13-6-29-15(7-28-13)34-9-21(24,25)26/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,27,31)(H,30,32)/t14-,19+,20+/m0/s1 LMVCXQSYVBPNAZ-VHKYSDTDSA-N 50510985 CHEMBL4579155 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510985&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866551 440719567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249231 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C22H22F5N5O3S/c1-20(15-7-21(15,10-34-2)36-19(28)32-20)12-5-11(6-13(23)17(12)24)31-18(33)14-8-30-16(9-29-14)35-4-3-22(25,26)27/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H2,28,32)(H,31,33)/t15-,20+,21+/m0/s1 PXXKPAMPVRIFRU-IWMITWMQSA-N 50510990 CHEMBL4544525 Beta-secretase 1 Homo sapiens 66 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866162 440719572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249232 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F InChI=1S/C23H22F2N6O4S/c1-22(16-7-23(16,11-33-2)36-21(26)31-22)13-5-12(6-14(24)19(13)25)30-20(32)15-8-29-17(9-28-15)35-10-18-27-3-4-34-18/h3-6,8-9,16H,7,10-11H2,1-2H3,(H2,26,31)(H,30,32)/t16-,22+,23+/m0/s1 LPXQIVMHUYETDK-PBNUPURSSA-N 50510986 CHEMBL4459222 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510986&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866177 440719568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249233 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H17F4N5O2S/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(23)12(22)6-10)20(2)14-7-21(14,18(24)25)33-19(26)30-20/h1,5-6,8-9,14,18H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,20+,21-/m0/s1 NURKHPHCXJUBHN-DLPLYFIVSA-N 50510977 CHEMBL4577527 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866986 440719559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249243 NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1 JAZOCUNZCUBRJX-DEOSSOPVSA-N 50510991 CHEMBL4564735 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3UT 4WTU,5UX4 53465141 440719573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249254 C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H16ClF3N4OS/c1-18(14-6-19(14,8-21)29-17(24)27-18)11-4-10(5-12(22)15(11)23)26-16(28)13-3-2-9(20)7-25-13/h2-5,7,14H,6,8H2,1H3,(H2,24,27)(H,26,28)/t14-,18+,19+/m0/s1 UKZKWTZATFOTDT-GDIGMMSISA-N 50510978 CHEMBL4539909 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866454 440719560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249255 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H14ClF2N5OS/c1-18(14-6-19(14,8-23)29-17(24)27-18)11-4-10(5-12(21)15(11)22)26-16(28)13-3-2-9(20)7-25-13/h2-5,7,14H,6H2,1H3,(H2,24,27)(H,26,28)/t14-,18+,19+/m0/s1 CFDRQUYOOKQSFL-GDIGMMSISA-N 50510992 CHEMBL4471141 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866963 440719574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249256 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H15ClF4N4OS/c1-18(13-6-19(13,16(23)24)30-17(25)28-18)10-4-9(5-11(21)14(10)22)27-15(29)12-3-2-8(20)7-26-12/h2-5,7,13,16H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,18+,19-/m0/s1 WDWGHBQCXQLANW-BKTGTZMESA-N 50510980 CHEMBL4457316 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510980&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866838 440719562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249258 CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)S[C@@]2(COC)C[C@@H]12 InChI=1S/C21H23F2N5O3S/c1-4-31-16-9-25-14(8-26-16)18(29)27-11-5-12(17(23)13(22)6-11)20(2)15-7-21(15,10-30-3)32-19(24)28-20/h5-6,8-9,15H,4,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15-,20+,21+/m0/s1 JMBJLUDMTZCGCO-IWMITWMQSA-N 50510989 CHEMBL4593414 Beta-secretase 1 Homo sapiens 4.2 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510989&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866403 440719571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249259 C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H18F3N5O2S/c1-3-4-31-16-9-26-14(8-27-16)18(30)28-11-5-12(17(24)13(23)6-11)20(2)15-7-21(15,10-22)32-19(25)29-20/h1,5-6,8-9,15H,4,7,10H2,2H3,(H2,25,29)(H,28,30)/t15-,20+,21+/m0/s1 LNCNDCQMCRPPAO-IWMITWMQSA-N 50510993 CHEMBL4437161 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866257 440719575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249260 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ncc(OCC#C)cc2C)cc(F)c1F InChI=1S/C24H24F2N4O3S/c1-5-6-33-15-7-13(2)20(28-11-15)21(31)29-14-8-16(19(26)17(25)9-14)23(3)18-10-24(18,12-32-4)34-22(27)30-23/h1,7-9,11,18H,6,10,12H2,2-4H3,(H2,27,30)(H,29,31)/t18-,23+,24+/m0/s1 YCXRAGJRMCYSLB-NTUVXCKYSA-N 50510972 CHEMBL4452318 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510972&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866133 440719554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249261 CCCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)S[C@@]2(COC)C[C@@H]12 InChI=1S/C22H25F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 KJGHYDVBLIXARQ-KNXBSLHKSA-N 50510975 CHEMBL4575413 Beta-secretase 1 Homo sapiens 8.4 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510975&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155563658 440719557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249262 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C23H22F2N6O3S/c1-5-6-34-17-11-27-15(10-28-17)19(32)29-12-7-13(18(25)14(24)8-12)22(2)16-9-23(16,20(33)31(3)4)35-21(26)30-22/h1,7-8,10-11,16H,6,9H2,2-4H3,(H2,26,30)(H,29,32)/t16-,22+,23-/m0/s1 PENUXFUKWLPNBH-FNVCAUGXSA-N 50510987 CHEMBL4472708 Beta-secretase 1 Homo sapiens 0.300000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510987&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118865901 440719569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249270 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C20H18ClF2N5O2S/c1-19(14-7-20(14,17(30)25-2)31-18(24)28-19)11-5-10(6-12(22)15(11)23)27-16(29)13-4-3-9(21)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,24,28)(H,25,30)(H,27,29)/t14-,19+,20-/m0/s1 ZGDXVGJMLHLEPG-KPOBHBOGSA-N 50510983 CHEMBL4475533 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510983&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538074 440719565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249272 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H17F4N5O2S/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(23)12(22)6-10)20(2)14-7-21(14,18(24)25)33-19(26)30-20/h1,5-6,8-9,14,18H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,20+,21-/m0/s1 NURKHPHCXJUBHN-DLPLYFIVSA-N 50510977 CHEMBL4577527 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510977&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866986 440719559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249274 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C22H21F5N4O3S/c1-20(16-7-21(16,9-33-2)35-19(28)31-20)13-5-11(6-14(23)17(13)24)30-18(32)15-4-3-12(8-29-15)34-10-22(25,26)27/h3-6,8,16H,7,9-10H2,1-2H3,(H2,28,31)(H,30,32)/t16-,20+,21+/m0/s1 BTFGNNJIHJZEND-ZLGUVYLKSA-N 50510988 CHEMBL4461994 Beta-secretase 1 Homo sapiens 6.1 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510988&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866737 440719570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249275 C[C@@]1(N=C(N)S[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H15ClF2N4OS/c1-18(10-6-14(10)27-17(22)25-18)11-4-9(5-12(20)15(11)21)24-16(26)13-3-2-8(19)7-23-13/h2-5,7,10,14H,6H2,1H3,(H2,22,25)(H,24,26)/t10-,14+,18+/m1/s1 GPAXGFDBMSTBMT-RHXQLXPWSA-N 50510973 CHEMBL4460278 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510973&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866094 440719555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249277 C[C@@]1(N=C(N)S[C@@]2(CO)C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H17ClF2N4O2S/c1-18(14-6-19(14,8-27)29-17(23)26-18)11-4-10(5-12(21)15(11)22)25-16(28)13-3-2-9(20)7-24-13/h2-5,7,14,27H,6,8H2,1H3,(H2,23,26)(H,25,28)/t14-,18+,19+/m0/s1 SYUXGKTZZPXWFX-GDIGMMSISA-N 50510979 CHEMBL4575752 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866030 440719561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249278 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C19H14ClF2N5OS/c1-18(14-6-19(14,8-23)29-17(24)27-18)11-4-10(5-12(21)15(11)22)26-16(28)13-3-2-9(20)7-25-13/h2-5,7,14H,6H2,1H3,(H2,24,27)(H,26,28)/t14-,18+,19+/m0/s1 CFDRQUYOOKQSFL-GDIGMMSISA-N 50510992 CHEMBL4471141 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510992&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866963 440719574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249280 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F InChI=1S/C23H22F2N4O3S/c1-4-7-32-14-5-6-17(27-11-14)20(30)28-13-8-15(19(25)16(24)9-13)22(2)18-10-23(18,12-31-3)33-21(26)29-22/h1,5-6,8-9,11,18H,7,10,12H2,2-3H3,(H2,26,29)(H,28,30)/t18-,22+,23+/m0/s1 XMBDVYLJVOJVAJ-CDNPAEQRSA-N 50510984 CHEMBL4456778 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510984&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118885049 440719566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249281 C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C21H18F3N5O2S/c1-3-4-31-16-9-26-14(8-27-16)18(30)28-11-5-12(17(24)13(23)6-11)20(2)15-7-21(15,10-22)32-19(25)29-20/h1,5-6,8-9,15H,4,7,10H2,2H3,(H2,25,29)(H,28,30)/t15-,20+,21+/m0/s1 LNCNDCQMCRPPAO-IWMITWMQSA-N 50510993 CHEMBL4437161 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510993&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866257 440719575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249288 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C20H19ClF2N4O2S/c1-19(15-7-20(15,9-29-2)30-18(24)27-19)12-5-11(6-13(22)16(12)23)26-17(28)14-4-3-10(21)8-25-14/h3-6,8,15H,7,9H2,1-2H3,(H2,24,27)(H,26,28)/t15-,19+,20+/m0/s1 HYUOULLGMKCVMR-CWFSZBLJSA-N 50510974 CHEMBL4456863 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510974&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118884907 440719556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51249289 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCCC(F)(F)F)cn2)cc(F)c1F InChI=1S/C22H22F5N5O3S/c1-20(15-7-21(15,10-34-2)36-19(28)32-20)12-5-11(6-13(23)17(12)24)31-18(33)14-8-30-16(9-29-14)35-4-3-22(25,26)27/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H2,28,32)(H,31,33)/t15-,20+,21+/m0/s1 PXXKPAMPVRIFRU-IWMITWMQSA-N 50510990 CHEMBL4544525 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.9b01034 10.7270/Q2ZK5M0H 31589043 Pettus, LH; Bourbeau, MP; Bradley, J; Bartberger, MD; Chen, K; Hickman, D; Johnson, M; Liu, Q; Manning, JR; Nanez, A; Siegmund, AC; Wen, PH; Whittington, DA; Allen, JR; Wood, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510990&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866162 440719572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51255225 CN(CC#C)Cc1ccc(O)c2ncccc12 InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3 FQFLPZZATVCNLA-UHFFFAOYSA-N 36551 Chelator, M30::US9034303, M30 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.ejmech.2019.05.020 10.7270/Q2KH0RNP 31103902 Zhang, P; Xu, S; Zhu, Z; Xu, J China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918822 117644137 ZINC38192602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51255227 COc1ccc(CNC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1OC InChI=1S/C22H26N2O4/c1-27-19-9-8-16(14-20(19)28-2)15-23-21(25)17-10-12-24(13-11-17)22(26)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,25) OJODVAHCAIUCKZ-UHFFFAOYSA-N 50513221 CHEMBL4455013 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.ejmech.2019.05.020 10.7270/Q2KH0RNP 31103902 Zhang, P; Xu, S; Zhu, Z; Xu, J China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50513221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50513221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 110298324 440721803 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51255231 CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3 ADCBAOTWERXLAP-UHFFFAOYSA-N 50359391 CHEMBL1929421 Beta-secretase 1 Homo sapiens 460 ChEMBL 10.1016/j.ejmech.2019.05.020 10.7270/Q2KH0RNP 31103902 Zhang, P; Xu, S; Zhu, Z; Xu, J China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359391&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53378764 136963415 CHEMBL1929421 ZINC72316998 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51255256 OC(CNCc1cccc(OCc2ccccc2)c1)Cn1cc(Br)c2cc(Br)ccc12 InChI=1S/C25H24Br2N2O2/c26-20-9-10-25-23(12-20)24(27)16-29(25)15-21(30)14-28-13-19-7-4-8-22(11-19)31-17-18-5-2-1-3-6-18/h1-12,16,21,28,30H,13-15,17H2 DETGCLIOJUVWEZ-UHFFFAOYSA-N 50513222 CHEMBL4445075 Beta-secretase 1 Homo sapiens 970 ChEMBL 10.1016/j.ejmech.2019.05.020 10.7270/Q2KH0RNP 31103902 Zhang, P; Xu, S; Zhu, Z; Xu, J China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50513222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50513222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155517345 440721804 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51255260 COc1ccc2[nH]c3nc4CCCCc4c(N)c3c2c1 InChI=1S/C16H17N3O/c1-20-9-6-7-13-11(8-9)14-15(17)10-4-2-3-5-12(10)18-16(14)19-13/h6-8H,2-5H2,1H3,(H3,17,18,19) YKEPKFWKYHJUNN-UHFFFAOYSA-N 50513224 CHEMBL4442213 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.ejmech.2019.05.020 10.7270/Q2KH0RNP 31103902 Zhang, P; Xu, S; Zhu, Z; Xu, J China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50513224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50513224&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155515606 440721806 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51255262 COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1O InChI=1S/C27H24O5/c1-31-27-17-21(11-16-26(27)30)8-13-24(29)18-23(28)12-7-20-9-14-25(15-10-20)32-19-22-5-3-2-4-6-22/h2-18,29-30H,19H2,1H3/b12-7+,13-8+,24-18- IWISRWPEVRRXIO-ANCJGQNFSA-N 50145909 CHEMBL3763944 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.ejmech.2019.05.020 10.7270/Q2KH0RNP 31103902 Zhang, P; Xu, S; Zhu, Z; Xu, J China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6539121 104034598 CHEMBL3763944 ZINC13470490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911628 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)/t16-/m0/s1 WQUQHUCOJVZXJC-INIZCTEOSA-N 116227 US10035794, Example 1::US10683287, Example 1::US8637508, 1 Beta-secretase 1 Homo sapiens 390 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356238 199996611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911629 CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23) WQUQHUCOJVZXJC-UHFFFAOYSA-N 116228 US10035794, Example 2::US10683287, Example 2::US8637508, 2 Beta-secretase 1 Homo sapiens 790 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116228&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57523959 199996612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911630 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 InChI=1S/C16H15ClFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1 CDJHOYHFBRGWII-UHFFFAOYSA-O 116229 US10683287, Example 3::US8637508, 3 Beta-secretase 1 Homo sapiens 2600 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808725 199996613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911631 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 InChI=1S/C16H15BrFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1 HBAGGGIQIJILPN-UHFFFAOYSA-O 116230 BDBM279660::US10683287, Example 4::US8637508, 4 Beta-secretase 1 Homo sapiens 1600 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808726 199996614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911632 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C17H15FN6O2/c18-9-17(10-26-8-14(20)24-17)13-2-1-3-15(22-13)23-16(25)12-5-4-11(6-19)7-21-12/h1-5,7H,8-10H2,(H2,20,24)(H,22,23,25)/p+1 ZYXUSDIABPAMMQ-UHFFFAOYSA-O 445479 US10683287, Example 5 Beta-secretase 1 Homo sapiens 270 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445479&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802688 440707691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911633 [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccccn2)n1 InChI=1S/C16H16FN5O2/c17-9-16(10-24-8-13(18)22-16)12-5-3-6-14(20-12)21-15(23)11-4-1-2-7-19-11/h1-7H,8-10H2,(H2,18,22)(H,20,21,23)/p+1 GNOVUNXZSPAJHX-UHFFFAOYSA-O 445480 US10683287, Example 6 Beta-secretase 1 Homo sapiens 550 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445480&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802690 440707692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911634 NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1 InChI=1S/C17H17FN6O2S/c18-8-17(9-26-7-13(19)24-17)12-2-1-3-14(22-12)23-16(25)11-5-4-10(6-21-11)15(20)27/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25)/p+1 RWYPCDYBONWERI-UHFFFAOYSA-O 116232 US10683287, Example 7::US8637508, 7 Beta-secretase 1 Homo sapiens 2100 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808728 199996616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911635 Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1 HONUCNWSWWNZSP-RBUKOAKNSA-N 116233 US10035794, Example 8::US10683287, Example 8::US8637508, 8 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356349 199996617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911636 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1 QSCBNUCKFXAIJL-ZWKOTPCHSA-N 116235 US10035794, Example 10::US10683287, Example 10::US8637508, 10 Beta-secretase 1 Homo sapiens 6200 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951951 199996619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911637 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1 QSCBNUCKFXAIJL-ZWKOTPCHSA-N 116235 US10035794, Example 10::US10683287, Example 10::US8637508, 10 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951951 199996619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911638 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 MTNQDQUYJFDVLS-RBUKOAKNSA-N 116236 US10035794, Example 11::US10683287, Example 11::US8637508, 11 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356221 199996620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911639 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1 MTNQDQUYJFDVLS-RTBURBONSA-N 116237 US10035794, Example 12::US10683287, Example 12::US8637508, 12 Beta-secretase 1 Homo sapiens 490 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355933 199996621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911640 Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1 InChI=1S/C17H17ClFN5O2/c1-10-4-12(18)6-22-15(10)16(25)23-14-5-11(2-3-21-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,21,23,25)/p+1 OLVSRIFVQCSRTD-UHFFFAOYSA-O 445487 US10683287, Example 13 Beta-secretase 1 Homo sapiens 3700 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445487&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802692 440707699 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911641 [NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C16H15ClFN5O2/c17-11-1-2-12(21-6-11)15(24)22-14-5-10(3-4-20-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,20,22,24)/p+1 GPJQSUWRIBDPMP-UHFFFAOYSA-O 116238 BDBM279670::US10683287, Example 14::US8637508, 14 Beta-secretase 1 Homo sapiens 8100 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91808729 199996622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911642 NC(=S)c1ccc(nc1)C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1 InChI=1S/C17H17FN6O2S/c18-8-17(9-26-7-13(19)24-17)11-3-4-21-14(5-11)23-16(25)12-2-1-10(6-22-12)15(20)27/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,21,23,25)/p+1 OSRZYZJSNAELFK-UHFFFAOYSA-O 445489 US10683287, Example 15 Beta-secretase 1 Homo sapiens >10000 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445489&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802693 440707701 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911643 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1 VAFUDQUXHDFJQT-RBUKOAKNSA-N 116240 US10035794, Example 16::US10683287, Example 16::US8637508, 16 Beta-secretase 1 Homo sapiens 82.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356350 199996624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911644 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1 VAFUDQUXHDFJQT-RTBURBONSA-N 116241 US10035794, Example 17::US10683287, Example 17::US8637508, 17 Beta-secretase 1 Homo sapiens 7600 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356355 199996625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911645 NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl InChI=1S/C16H14BrClFN5O2/c17-9-1-2-12(21-4-9)15(25)23-10-3-11(14(18)22-5-10)16(7-19)8-26-6-13(20)24-16/h1-5H,6-8H2,(H2,20,24)(H,23,25) IZGSDQIFBJRHBB-UHFFFAOYSA-N 116242 US10683287, Example 18::US8637508, 18 Beta-secretase 1 Homo sapiens 140 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57524139 199996626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911646 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1 QLMSSDKIDFGJDT-ZWKOTPCHSA-N 116243 US10035794, Example 19::US10683287, Example 19::US8637508, 19 Beta-secretase 1 Homo sapiens 43.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355685 199996627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911647 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1 InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1 DPIDWDAWIQYLLV-ZWKOTPCHSA-N 116244 US10035794, Example 20::US10683287, Example 20::US8637508, 20 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356253 199996628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248310 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.bmc.2019.05.023 10.7270/Q22F7RRB 31128990 Hosseini, F; Ramazani, A; Mohammadi-Khanaposhtani, M; Barazandeh Tehrani, M; Nadri, H; Larijani, B; Mahdavi, M University of Zanjan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911648 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 InChI=1S/C18H17ClF3N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)12-4-3-5-13(25-12)26-14(28)11-7-6-10(19)8-24-11/h3-8H,9H2,1-2H3,(H2,23,27)(H,25,26,28)/t16-,17+/m0/s1 CKRKVUFHQBIJHR-DLBZAZTESA-N 445495 US10683287, Example 21 Beta-secretase 1 Homo sapiens 31.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445495&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802695 440707707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911649 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1 InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1 VANDNQQVYPKEOC-DLBZAZTESA-N 116245 US10035794, Example 22::US10683287, Example 22::US8637508, 22 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356247 199996629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911650 CC(F)(F)COc1cnc(C(=O)Nc2cccc(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1 InChI=1S/C20H22F5N7O3/c1-17(8-35-19(3,16(27)32-17)20(23,24)25)10-5-4-6-11(29-10)30-15(33)13-14(26)31-12(7-28-13)34-9-18(2,21)22/h4-7H,8-9H2,1-3H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t17-,19+/m0/s1 LCFXPMWBUJPQOA-PKOBYXMFSA-N 445497 US10683287, Example 23 Beta-secretase 1 Homo sapiens 1200 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445497&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802696 440707709 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911651 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911652 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1 PWIJFDYDPIMSCV-RBUKOAKNSA-N 116248 US10035794, Example 25::US10683287, Example 25::US8637508, 25 Beta-secretase 1 Homo sapiens 93.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356220 199996632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911653 Cc1cc(OCC(C)(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C22H23F6N5O3/c1-11-7-12(35-10-20(3,24)25)8-30-15(11)17(34)32-14-6-5-13(23)16(31-14)19(2)9-36-21(4,18(29)33-19)22(26,27)28/h5-8H,9-10H2,1-4H3,(H2,29,33)(H,31,32,34)/t19-,21+/m0/s1 BXDMBVYWTFWIFD-PZJWPPBQSA-N 445500 US10683287, Example 26 Beta-secretase 1 Homo sapiens 400 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445500&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802697 440707712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911654 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 MWIIPGZITGHTPU-ZWKOTPCHSA-N 116250 US10035794, Example 27::US10683287, Example 27::US8637508, 27 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951901 199996634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911655 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 1100 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911656 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F InChI=1S/C20H19F6N5O2/c1-9-6-10(15(22)23)7-28-13(9)16(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,17(27)31-18)20(24,25)26/h4-7,15H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1 FPTLECCDBNIEHG-RBUKOAKNSA-N 445503 US10683287, Example 29 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445503&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802698 440707715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911657 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1 IEGJECJTLOSIQV-RBUKOAKNSA-N 116252 US10035794, Example 29::US10683287, Example 30::US8637508, 29 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602949 199996636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911658 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1 DRKAFGKWERJHKK-DLBZAZTESA-N 116254 US10035794, Example 31::US10683287, Example 31::US8637508, 31 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951906 199996638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911659 Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C20H20F5N5O3/c1-10-6-11(32-9-21)7-27-14(10)16(31)29-13-5-4-12(22)15(28-13)18(2)8-33-19(3,17(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 VZKUTAXMEIXBFQ-RBUKOAKNSA-N 116255 US10035794, Example 32::US10683287, Example 32::US8637508, 32 Beta-secretase 1 Homo sapiens 45.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356240 199996639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911660 Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1 QEEWKGAHKUUMAX-DLBZAZTESA-N 116256 US10035794, Example 33::US10683287, Example 33::US8637508, 33 Beta-secretase 1 Homo sapiens 820 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356222 199996640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911661 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 PSBBWFNMHDUTRH-DLBZAZTESA-N 116257 US10035794, Example 34::US10683287, Example 34::US8637508, 34 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUH 6EQM 88602735 199996641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911662 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911663 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1 DOJQNRYLSRMQDA-ZWKOTPCHSA-N 116253 US10035794, Example 30::US10683287, Example 36::US8637508, 30 Beta-secretase 1 Homo sapiens 410 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951915 199996637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911664 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N InChI=1S/C20H19F3N6O2/c1-11-3-12(5-24)6-27-16(11)17(30)28-15-4-13(14(23)7-26-15)19(2)10-31-20(8-21,9-22)18(25)29-19/h3-4,6-7H,8-10H2,1-2H3,(H2,25,29)(H,26,28,30)/t19-/m0/s1 ZDOMSYMJUOFARG-IBGZPJMESA-N 116260 US10035794, Example 37::US10683287, Example 37::US8637508, 37 Beta-secretase 1 Homo sapiens 380 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70351283 199996644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911665 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m0/s1 GIKOSRRRDYUWLE-SFHVURJKSA-N 116261 US10035794, Example 38::US10683287, Example 38::US8637508, 38 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355171 199996645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911666 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m1/s1 GIKOSRRRDYUWLE-GOSISDBHSA-N 116262 US10035794, Example 39::US10683287, Example 39::US8637508, 39 Beta-secretase 1 Homo sapiens 1500 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356010 199996646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911667 NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1 LVXIXHYWPFXDKS-KRWDZBQOSA-N 116263 US10035794, Example 40::US10683287, Example 40::US8637508, 40 Beta-secretase 1 Homo sapiens 42.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356242 199996647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911668 Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1 InChI=1S/C19H20F4N6O2/c1-9-7-25-13(10(2)26-9)15(30)28-12-6-5-11(20)14(27-12)17(3)8-31-18(4,16(24)29-17)19(21,22)23/h5-7H,8H2,1-4H3,(H2,24,29)(H,27,28,30)/t17-,18+/m0/s1 NHQMQCNPITZLAA-ZWKOTPCHSA-N 116264 US10035794, Example 41::US10683287, Example 41::US8637508, 41 Beta-secretase 1 Homo sapiens 230 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951896 199996648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911669 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F InChI=1S/C20H22F5N7O3/c1-18(9-35-19(2,17(27)32-18)20(23,24)25)14-10(22)4-5-11(29-14)30-16(33)13-15(26)31-12(8-28-13)34-7-3-6-21/h4-5,8H,3,6-7,9H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t18-,19+/m0/s1 JKHHBPZBBWGXHT-RBUKOAKNSA-N 116265 US10035794, Example 42::US10683287, Example 42::US8637508, 42 Beta-secretase 1 Homo sapiens 200 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356059 199996649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911670 COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12 InChI=1S/C22H24F4N8O3/c1-20(10-37-21(2,19(28)33-20)22(24,25)26)15-11(23)4-5-13(30-15)31-18(35)14-16(27)32-17-12(29-14)6-7-34(17)8-9-36-3/h4-7H,8-10H2,1-3H3,(H2,27,32)(H2,28,33)(H,30,31,35)/t20-,21+/m0/s1 MMFYRHYCSIOPDG-LEWJYISDSA-N 116266 US10035794, Example 43::US10683287, Example 43::US8637508, 43 Beta-secretase 1 Homo sapiens 1200 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355173 199996650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911671 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1 HUQALVJHHCENTE-JKSUJKDBSA-N 116267 US10035794, Example 44::US10683287, Example 44::US8637508, 44 Beta-secretase 1 Homo sapiens 40.0 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951897 199996651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911672 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(CC(F)F)nc2N)ccc1F InChI=1S/C19H19F6N7O2/c1-17(7-34-18(2,16(27)32-17)19(23,24)25)13-9(20)3-4-11(30-13)31-15(33)12-14(26)29-8(6-28-12)5-10(21)22/h3-4,6,10H,5,7H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t17-,18+/m0/s1 LATXLMKRYWCSIN-ZWKOTPCHSA-N 445519 US10683287, Example 45 Beta-secretase 1 Homo sapiens >10000 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445519&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802701 440707731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911673 Cc1cn(nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F InChI=1S/C18H18F6N6O2/c1-8-6-30(15(20)21)29-11(8)13(31)27-10-5-4-9(19)12(26-10)16(2)7-32-17(3,14(25)28-16)18(22,23)24/h4-6,15H,7H2,1-3H3,(H2,25,28)(H,26,27,31)/t16-,17+/m0/s1 JXCFFZNWKKOAKG-DLBZAZTESA-N 445520 US10683287, Example 46 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445520&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126487056 440707732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911674 Cc1cc2N(CC(F)F)CCc2nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C23H24F6N6O2/c1-11-8-14-13(6-7-35(14)9-15(25)26)31-17(11)19(36)33-16-5-4-12(24)18(32-16)21(2)10-37-22(3,20(30)34-21)23(27,28)29/h4-5,8,15H,6-7,9-10H2,1-3H3,(H2,30,34)(H,32,33,36)/t21-,22+/m0/s1 MROKGOMJRATJBK-FCHUYYIVSA-N 445521 US10683287, Example 47 Beta-secretase 1 Homo sapiens >10000 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802702 440707733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 911675 COCCN1CCc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12 InChI=1S/C23H25ClF4N6O3/c1-21(11-37-22(2,20(29)33-21)23(26,27)28)18-13(25)4-5-16(31-18)32-19(35)17-12(24)10-15-14(30-17)6-7-34(15)8-9-36-3/h4-5,10H,6-9,11H2,1-3H3,(H2,29,33)(H,31,32,35)/t21-,22+/m0/s1 NFUNUXSOZVGRBS-FCHUYYIVSA-N 445522 US10683287, Example 48 Beta-secretase 1 Homo sapiens 7300 US Patent 10.7270/Q2DZ0CCG aid1804457 US10683287 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Novartis AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=445522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=445522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155802703 440707734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248464 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1 242945 US9422277, 8 Beta-secretase 1 Homo sapiens 2.8 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73775748 341095084 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248466 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H21F3N4O3S/c1-11-6-12-9-32-20(25)28-21(12,10-30-11)15-7-13(2-4-16(15)22)27-18(29)17-5-3-14(8-26-17)31-19(23)24/h2-5,7-8,11-12,19H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t11-,12-,21-/m0/s1 ZRDISNFFMHLYBW-OABGYEMISA-N 312936 US9605007, Comparator 3::US9744173, Comparator 4 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441559 383539885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248468 NC1=N[C@@](C#C)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H14FN5O2/c1-2-20(14-8-17(14)28-19(23)26-20)13-7-12(4-5-15(13)21)25-18(27)16-6-3-11(9-22)10-24-16/h1,3-7,10,14,17H,8H2,(H2,23,26)(H,25,27)/t14-,17+,20+/m0/s1 USKPPLKTZAAGIU-JNAXZKDPSA-N 204939 I-21 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204939&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118399560 375976919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248470 CC1(C)C(N)=N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)CS1(=O)=O InChI=1S/C21H21N5O4S/c1-20(2)19(23)26-21(12-31(20,28)29)7-8-30-17-6-4-14(9-15(17)21)25-18(27)16-5-3-13(10-22)11-24-16/h3-6,9,11H,7-8,12H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1 MUTRQBZDIQVCIM-NRFANRHFSA-N 50510766 CHEMBL4449989 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117960375 440719348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248472 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC[C@@](C)(C#N)C(N)=N1 InChI=1S/C21H22FN5O2/c1-20(12-23)8-9-21(2,27-19(20)24)15-10-13(4-6-16(15)22)26-18(28)17-7-5-14(29-3)11-25-17/h4-7,10-11H,8-9H2,1-3H3,(H2,24,27)(H,26,28)/t20-,21-/m0/s1 CVLSLISEKNKGRA-SFTDATJTSA-N 50510768 CHEMBL4556248 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155556725 440719350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248473 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1 XZRLHXIFWZKMCO-MRXNPFEDSA-N 186048 US9163011, 2 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71274019 315658583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248474 C[C@@]1(N=C(N)O[C@H]2[C@@H]1OCC2(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16F3N5O3/c1-19(15-16(31-18(25)28-19)20(22,23)9-30-15)12-6-11(3-4-13(12)21)27-17(29)14-5-2-10(7-24)8-26-14/h2-6,8,15-16H,9H2,1H3,(H2,25,28)(H,27,29)/t15-,16-,19+/m0/s1 RWLYKIWWXMZEIF-TXPKVOOTSA-N 50510769 CHEMBL4453037 Beta-secretase 1 Homo sapiens 0.391000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118440821 440719351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248475 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H19F2N5O3S/c1-4-7-30-18-11-24-17(10-25-18)16(22)9-13-5-6-15(21)14(8-13)20(2)12-31(28,29)27(3)19(23)26-20/h1,5-6,8-11H,7,12H2,2-3H3,(H2,23,26)/b16-9-/t20-/m0/s1 WIQPRGHWWVQNAA-CPYXBQISSA-N 50510765 CHEMBL4440849::US11021493, Example 112 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126469 440719347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248478 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC[C@@H]3[C@](C)(N=C(N)C(C)(C)S3(=O)=O)c2c1 InChI=1S/C22H25ClN4O4S/c1-12-9-13(23)11-25-18(12)19(28)26-14-5-6-16-15(10-14)22(4)17(7-8-31-16)32(29,30)21(2,3)20(24)27-22/h5-6,9-11,17H,7-8H2,1-4H3,(H2,24,27)(H,26,28)/t17-,22-/m1/s1 GPTXVAMKJRVWAD-VGOFRKELSA-N 50510772 CHEMBL4450749 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90308598 440719354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248479 C[C@]1(Cn2cnc(C(F)F)c2C(N)=N1)c1cc(NC(=O)c2ccc(cc2)C#N)ccc1F InChI=1S/C22H17F3N6O/c1-22(10-31-11-28-17(19(24)25)18(31)20(27)30-22)15-8-14(6-7-16(15)23)29-21(32)13-4-2-12(9-26)3-5-13/h2-8,11,19H,10H2,1H3,(H2,27,30)(H,29,32)/t22-/m0/s1 VNTYARFSJRGDMJ-QFIPXVFZSA-N 50510773 CHEMBL4525240 Beta-secretase 1 Homo sapiens 3.5 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538806 440719355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248481 COc1ncc(C(=O)NC2CC2)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C22H22F2N4O2S/c1-30-20-15-8-22(17-5-2-12(23)7-18(17)24)11(10-31-21(25)28-22)6-14(15)16(9-26-20)19(29)27-13-3-4-13/h2,5,7,9,11,13H,3-4,6,8,10H2,1H3,(H2,25,28)(H,27,29)/t11-,22-/m0/s1 GFWAXJPIGBKXCZ-SAHAZLINSA-N 50510774 CHEMBL4459963 Beta-secretase 1 Homo sapiens 9.6 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153303564 440719356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248483 COc1ncc(C(=O)NC2CC2)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C22H22F2N4O2S/c1-30-20-15-8-22(17-5-2-12(23)7-18(17)24)11(10-31-21(25)28-22)6-14(15)16(9-26-20)19(29)27-13-3-4-13/h2,5,7,9,11,13H,3-4,6,8,10H2,1H3,(H2,25,28)(H,27,29)/t11-,22-/m0/s1 GFWAXJPIGBKXCZ-SAHAZLINSA-N 50510774 CHEMBL4459963 Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153303564 440719356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248486 C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(F)cn3)ccc2F)C11CC(F)(F)C1 InChI=1S/C20H19F4N5OS/c1-10-19(8-20(23,24)9-19)18(2,29-17(25)31-10)12-5-11(3-4-13(12)21)28-16(30)14-6-27-15(22)7-26-14/h3-7,10H,8-9H2,1-2H3,(H2,25,29)(H,28,30)/t10-,18-/m1/s1 JRFUBDYDGFCKBP-MLCYQJTMSA-N 50510777 CHEMBL4437405 Beta-secretase 1 Homo sapiens 5.4 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155512597 440719359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248487 COC[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O2S/c1-20(17(22)16(10-29-2)30-19(24)27-20)13-7-12(4-5-14(13)21)26-18(28)15-6-3-11(8-23)9-25-15/h3-7,9,16-17H,10H2,1-2H3,(H2,24,27)(H,26,28)/t16-,17+,20-/m1/s1 WICODOPMYZLCOX-FUHIMQAGSA-N 50510778 CHEMBL4537415 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441141 440719360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248488 C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(F)cn3)ccc2F)C11CC(F)(F)C1 InChI=1S/C20H19F4N5OS/c1-10-19(8-20(23,24)9-19)18(2,29-17(25)31-10)12-5-11(3-4-13(12)21)28-16(30)14-6-27-15(22)7-26-14/h3-7,10H,8-9H2,1-2H3,(H2,25,29)(H,28,30)/t10-,18-/m1/s1 JRFUBDYDGFCKBP-MLCYQJTMSA-N 50510777 CHEMBL4437405 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155512597 440719359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248489 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C19H18F4N4O2S/c1-9-15(21)19(2,27-18(24)30-9)12-7-10(3-5-13(12)20)26-16(28)14-6-4-11(8-25-14)29-17(22)23/h3-9,15,17H,1-2H3,(H2,24,27)(H,26,28)/t9-,15+,19-/m1/s1 SRRMWNUUTHJEGI-YPUWOAEVSA-N 50510779 CHEMBL4561476 Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155558787 440719361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248490 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@]2(C)CC[C@H]1S2(=O)=O InChI=1S/C21H22ClFN4O3S/c1-11-8-12(22)10-25-17(11)18(28)26-13-4-5-15(23)14(9-13)21(3)16-6-7-20(2,19(24)27-21)31(16,29)30/h4-5,8-10,16H,6-7H2,1-3H3,(H2,24,27)(H,26,28)/t16-,20+,21-/m1/s1 OCEVYHBEVRPQEN-TYCQWZJGSA-N 50510780 CHEMBL4464845 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117844010 440719362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248491 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)C(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C18H14ClF4N5OS/c19-13-6-25-11(5-26-13)14(29)27-8-1-2-10(21)9(3-8)17(7-20)12-4-18(12,15(22)23)30-16(24)28-17/h1-3,5-6,12,15H,4,7H2,(H2,24,28)(H,27,29)/t12-,17+,18-/m0/s1 DHESWQSXKSVRPU-RZAIGCCYSA-N 50510781 CHEMBL4460912 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155528391 440719363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248492 NC1=N[C@@](CF)([C@@H]2C[C@@H]2S1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F3N5O2S/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(23)13(22)5-10)20(9-21)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20+/m1/s1 YFUDKRKSUBTLCT-SZELWCTASA-N 50510782 CHEMBL4454250 Beta-secretase 1 Homo sapiens 0.640000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866499 440719364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248495 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H22F2N4O3S/c1-5-8-31-19-12-26-18(11-27-19)17(24)10-14-6-7-16(23)15(9-14)22(4)13-32(29,30)21(2,3)20(25)28-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,25,28)/b17-10-/t22-/m0/s1 MAJFETMMCMCMPJ-VBBNHBBTSA-N 50510783 CHEMBL4470897::US11021493, Example 123 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125856 440719365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248496 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)C(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F InChI=1S/C18H14ClF4N5OS/c19-13-6-25-11(5-26-13)14(29)27-8-1-2-10(21)9(3-8)17(7-20)12-4-18(12,15(22)23)30-16(24)28-17/h1-3,5-6,12,15H,4,7H2,(H2,24,28)(H,27,29)/t12-,17+,18-/m0/s1 DHESWQSXKSVRPU-RZAIGCCYSA-N 50510781 CHEMBL4460912 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155528391 440719363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248497 NC1=N[C@@](CF)([C@@H]2C[C@@H]2S1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C20H16F3N5O2S/c1-2-3-30-16-8-25-14(7-26-16)18(29)27-10-4-12(17(23)13(22)5-10)20(9-21)11-6-15(11)31-19(24)28-20/h1,4-5,7-8,11,15H,3,6,9H2,(H2,24,28)(H,27,29)/t11-,15+,20+/m1/s1 YFUDKRKSUBTLCT-SZELWCTASA-N 50510782 CHEMBL4454250 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118866499 440719364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248498 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nc3ccc(nc3s2)C#N)ccc1F InChI=1S/C21H16F4N6O2S/c1-19(9-33-20(2,18(27)31-19)21(23,24)25)12-7-10(3-5-13(12)22)28-15(32)17-30-14-6-4-11(8-26)29-16(14)34-17/h3-7H,9H2,1-2H3,(H2,27,31)(H,28,32)/t19-,20+/m0/s1 HOQHGBYCOAWGHX-VQTJNVASSA-N 50510784 CHEMBL4440268 Beta-secretase 1 Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134284187 440719366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248499 COc1nc(nc(C)c1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1ccns1 InChI=1S/C15H17FN6OS2/c1-8-11(16)12(23-2)20-14(19-8)22-5-9-6-24-13(17)21-15(9,7-22)10-3-4-18-25-10/h3-4,9H,5-7H2,1-2H3,(H2,17,21)/t9-,15-/m0/s1 GOMLMHXHIQSMJM-VFZGTOFNSA-N 50510785 CHEMBL4535864 Beta-secretase 1 Homo sapiens 172 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155547684 440719367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248501 CC(F)(F)[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H18F6N4O2S/c1-19(23,24)16-13-8-34-18(28)31-20(13,9-33-16)12-6-11(3-4-14(12)22)30-17(32)15-5-2-10(7-29-15)21(25,26)27/h2-7,13,16H,8-9H2,1H3,(H2,28,31)(H,30,32)/t13-,16+,20-/m1/s1 XRFGNLFEFGYHSU-JOTOCRJQSA-N 50510770 CHEMBL4591139 Beta-secretase 1 Homo sapiens 1.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155568510 440719352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248502 CC(F)(F)[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2S/c1-20(23,24)17-14-9-32-19(26)29-21(14,10-31-17)13-6-12(3-4-15(13)22)28-18(30)16-5-2-11(7-25)8-27-16/h2-6,8,14,17H,9-10H2,1H3,(H2,26,29)(H,28,30)/t14-,17+,21-/m1/s1 JJADJMODPHLYCB-DAESXHAQSA-N 50510787 CHEMBL4564324 Beta-secretase 1 Homo sapiens 0.157000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122653795 440719369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248504 CC(F)(F)[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H18F6N4O2S/c1-19(23,24)16-13-8-34-18(28)31-20(13,9-33-16)12-6-11(3-4-14(12)22)30-17(32)15-5-2-10(7-29-15)21(25,26)27/h2-7,13,16H,8-9H2,1H3,(H2,28,31)(H,30,32)/t13-,16+,20-/m1/s1 XRFGNLFEFGYHSU-JOTOCRJQSA-N 50510770 CHEMBL4591139 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155568510 440719352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248505 CC(F)(F)[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2S/c1-20(23,24)17-14-9-32-19(26)29-21(14,10-31-17)13-6-12(3-4-15(13)22)28-18(30)16-5-2-11(7-25)8-27-16/h2-6,8,14,17H,9-10H2,1H3,(H2,26,29)(H,28,30)/t14-,17+,21-/m1/s1 JJADJMODPHLYCB-DAESXHAQSA-N 50510787 CHEMBL4564324 Beta-secretase 1 Homo sapiens 0.509000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122653795 440719369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248507 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 XIOGEDRAOXMYRT-IBGZPJMESA-N 338837 US9751886, Compound 2 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294744 384990811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248508 Cn1cc2C(N)=N[C@@](C)(Cn2c1=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18FN7O2/c1-21(11-29-17(18(24)27-21)10-28(2)20(29)31)14-7-13(4-5-15(14)22)26-19(30)16-6-3-12(8-23)9-25-16/h3-7,9-10H,11H2,1-2H3,(H2,24,27)(H,26,30)/t21-/m0/s1 BUDULEITQIRFAU-NRFANRHFSA-N 50510789 CHEMBL4473230 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86291837 440719371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248509 NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 IRMOIEQGSGUCMN-XTZNXHDOSA-N 50203710 CHEMBL3891534 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71479644 375980200 CHEMBL3891534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248510 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)17-6-20(3,26-19(23)29-17)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1 UWUREBMKVJWTPP-PXNSSMCTSA-N 50088174 CHEMBL3427251 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5QV 5ENK 90253366 313083712 CHEMBL3427251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248511 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 XIOGEDRAOXMYRT-IBGZPJMESA-N 338837 US9751886, Compound 2 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294744 384990811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248512 Cn1cc2C(N)=N[C@@](C)(Cn2c1=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18FN7O2/c1-21(11-29-17(18(24)27-21)10-28(2)20(29)31)14-7-13(4-5-15(14)22)26-19(30)16-6-3-12(8-23)9-25-16/h3-7,9-10H,11H2,1-2H3,(H2,24,27)(H,26,30)/t21-/m0/s1 BUDULEITQIRFAU-NRFANRHFSA-N 50510789 CHEMBL4473230 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86291837 440719371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248513 NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O3/c20-14-3-2-12(25-16(27)15-4-1-11(6-22)7-24-15)5-13(14)19-10-28-8-18(19,21)9-29-17(23)26-19/h1-5,7H,8-10H2,(H2,23,26)(H,25,27)/t18-,19-/m1/s1 SHVCLNXAHWXVPY-RTBURBONSA-N 50510790 CHEMBL4568474 Beta-secretase 1 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294873 440719372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248514 C[C@]1(C[C@H](SC(N)=N1)C(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H17F4N5O2S/c1-18(5-13(15(21)22)30-17(23)27-18)10-4-9(2-3-11(10)20)26-16(28)12-6-25-14(7-24-12)29-8-19/h2-4,6-7,13,15H,5,8H2,1H3,(H2,23,27)(H,26,28)/t13-,18-/m0/s1 YCQCOERWQMZZQJ-UGSOOPFHSA-N 50510776 CHEMBL4438526 Beta-secretase 1 Homo sapiens 6.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155513311 440719358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248515 COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C InChI=1S/C22H22F2N6O3S/c1-10-18(11(2)33-30-10)16-7-22(3,29-21(25)34-16)13-5-12(6-14(23)19(13)24)28-20(31)15-8-27-17(32-4)9-26-15/h5-6,8-9,16H,7H2,1-4H3,(H2,25,29)(H,28,31)/t16-,22-/m0/s1 IFMZPRCGPCQBAP-AOMKIAJQSA-N 50169351 CHEMBL3805852 Beta-secretase 1 Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 127048530 341104744 CHEMBL3805852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248517 CC#CCOc1cnc(cn1)C1=Nc2cc(c(F)cc2CN1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F InChI=1S/C22H20F4N6O2/c1-3-4-5-33-18-11-28-16(10-29-18)19-30-9-12-6-14(23)13(7-15(12)31-19)21(2)8-17(22(24,25)26)34-20(27)32-21/h6-7,10-11,17H,5,8-9H2,1-2H3,(H2,27,32)(H,30,31)/t17-,21-/m0/s1 PUWQHUYNTPARTB-UWJYYQICSA-N 50510791 CHEMBL4453767 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118678226 440719373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248518 COc1cnc(nc1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@](=O)(=NC)N(C)C(N)=N1 InChI=1S/C20H22FN7O3S/c1-20(11-32(29,23-2)28(3)19(22)26-20)14-7-12(5-6-15(14)21)17-8-16(27-31-17)18-24-9-13(30-4)10-25-18/h5-10H,11H2,1-4H3,(H2,22,26)/t20-,32-/m0/s1 QOUCEPDVZWWJEY-WEZXKFLESA-N 50510792 CHEMBL4449985 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155520921 440719374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248519 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS2(=O)=NCCCCN2C(N)=N1)C#N InChI=1S/C22H24FN7O2S/c1-14-9-15(11-24)12-26-19(14)20(31)28-16-5-6-18(23)17(10-16)22(2)13-33(32)27-7-3-4-8-30(33)21(25)29-22/h5-6,9-10,12H,3-4,7-8,13H2,1-2H3,(H2,25,29)(H,28,31)/t22-,33?/m0/s1 BDYVDSYSQZOWID-LJPZCQIFSA-N 50510793 CHEMBL4573881 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 138459258 440719375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248520 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS2(=O)=NCCCCC2(C)C(N)=N1)C#N InChI=1S/C24H27FN6O2S/c1-15-10-16(12-26)13-28-20(15)21(32)30-17-6-7-19(25)18(11-17)23(2)14-34(33)24(3,22(27)31-23)8-4-5-9-29-34/h6-7,10-11,13H,4-5,8-9,14H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24?,34?/m0/s1 DKOASLBBQZRFRK-HQSGPSHOSA-N 50510794 CHEMBL4588608 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155567230 440719376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248521 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C(C)(C)[S@@]2(=O)=NCC[C@@H]12)C#N InChI=1S/C23H25FN6O2S/c1-13-9-14(11-25)12-27-19(13)20(31)29-15-5-6-17(24)16(10-15)23(4)18-7-8-28-33(18,32)22(2,3)21(26)30-23/h5-6,9-10,12,18H,7-8H2,1-4H3,(H2,26,30)(H,29,31)/t18-,23+,33+/m0/s1 FDHZALOQNQTHFY-INCWNZBPSA-N 50510795 CHEMBL4561849 Beta-secretase 1 Homo sapiens 0.090000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137392390 440719377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248522 C[C@@]1(N=C(N)O[C@@H]2CCC(F)(F)[C@H]12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-20(17-16(31-19(26)29-20)6-7-21(17,23)24)13-8-12(3-4-14(13)22)28-18(30)15-5-2-11(9-25)10-27-15/h2-5,8,10,16-17H,6-7H2,1H3,(H2,26,29)(H,28,30)/t16-,17+,20-/m1/s1 VGNRLIUKCSHVAX-FUHIMQAGSA-N 50510796 CHEMBL4462314 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118070156 440719378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248523 C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(20(9-21(23,24)10-20)11-31-18(26)29-19)14-6-13(3-4-15(14)22)28-17(30)16-5-2-12(7-25)8-27-16/h2-6,8H,9-11H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1 YPZQDTUAKKQVGK-LJQANCHMSA-N 50510797 CHEMBL4439134 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118440832 440719379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248524 C[C@@]1(N=C(N)O[C@H]2[C@@H]1OCC2(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16F3N5O3/c1-19(15-16(31-18(25)28-19)20(22,23)9-30-15)12-6-11(3-4-13(12)21)27-17(29)14-5-2-10(7-24)8-26-14/h2-6,8,15-16H,9H2,1H3,(H2,25,28)(H,27,29)/t15-,16-,19+/m0/s1 RWLYKIWWXMZEIF-TXPKVOOTSA-N 50510769 CHEMBL4453037 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118440821 440719351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248529 CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(CCC(F)(F)F)C2)S1(=O)=O InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22?/m1/s1 SDRRMAFKXWCTGV-ZMFCMNQTSA-N 50510798 CHEMBL4476845 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538495 440719380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248530 CN1C(N)=N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)CS1(=O)=O InChI=1S/C19H18N6O4S/c1-25-18(21)24-19(11-30(25,27)28)6-7-29-16-5-3-13(8-14(16)19)23-17(26)15-4-2-12(9-20)10-22-15/h2-5,8,10H,6-7,11H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 BPNSGHKALGEYEE-IBGZPJMESA-N 50510799 CHEMBL4520547 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122535397 440719381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248531 CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1 JOSATGAYPZWFMY-IBGZPJMESA-N 249091 US9453034, 5 Beta-secretase 1 Homo sapiens 6.1 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85471653 346543602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248532 CN1C(N)=N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1 WHPBHJQRLDCBOO-YLJYHZDGSA-N 50510800 CHEMBL4455948 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264059 440719382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248533 CN1C(N)=N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1 WHPBHJQRLDCBOO-FXAWDEMLSA-N 50510801 CHEMBL4587889 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121264098 440719383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248534 CN=[S@@]1(=O)C[C@](C)(N=C(N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H23ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-,30+/m0/s1 LYWNLJBYWJZKJE-WENCNXQZSA-N 50510802 CHEMBL4473638 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155536534 440719384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248535 CN=[S@@]1(=O)C[C@](C)(N=C(N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H20ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-,29-/m0/s1 TYBVENNBOHKGFL-YRVHBCJASA-N 50510767 CHEMBL4534877 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85470889 440719349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248536 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H17FN6O2S2/c1-18(10-29(26,27)25(2)17(21)24-18)13-7-12(4-5-14(13)19)23-16(28)15-6-3-11(8-20)9-22-15/h3-7,9H,10H2,1-2H3,(H2,21,24)(H,23,28)/t18-/m0/s1 YQLHPGDCNGMNFB-SFHVURJKSA-N 50510764 CHEMBL4458706 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155526564 440719346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248537 COC[C@H]1C[C@@H]2[C@](CO1)(N=C(N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C21H22FN5O5S/c1-27-20(24)26-21(12-31-15(11-30-2)9-18(21)33(27,28)29)16-8-14(3-4-17(16)22)32-19-7-13(10-23)5-6-25-19/h3-8,15,18H,9,11-12H2,1-2H3,(H2,24,26)/t15-,18-,21-/m1/s1 IKXTYERQAYAFRG-FQELHTAISA-N 50510803 CHEMBL4567636 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137462330 440719385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248538 C[C@]1(Cc2ncncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H16F2N6O/c1-20(7-17-13(18(23)28-20)9-24-10-26-17)14-6-12(3-4-15(14)22)27-19(29)16-5-2-11(21)8-25-16/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,27,29)/t20-/m0/s1 BRCYVPIMBJJFFF-FQEVSTJZSA-N 50510804 CHEMBL4439298 Beta-secretase 1 Homo sapiens 9.4 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118958876 440719386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248547 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H19F2N5O3S/c1-4-7-30-18-11-24-17(10-25-18)16(22)9-13-5-6-15(21)14(8-13)20(2)12-31(28,29)27(3)19(23)26-20/h1,5-6,8-11H,7,12H2,2-3H3,(H2,23,26)/b16-9-/t20-/m0/s1 WIQPRGHWWVQNAA-CPYXBQISSA-N 50510765 CHEMBL4440849::US11021493, Example 112 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126469 440719347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248548 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H22F2N4O3S/c1-5-8-31-19-12-26-18(11-27-19)17(24)10-14-6-7-16(23)15(9-14)22(4)13-32(29,30)21(2,3)20(25)28-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,25,28)/b17-10-/t22-/m0/s1 MAJFETMMCMCMPJ-VBBNHBBTSA-N 50510783 CHEMBL4470897::US11021493, Example 123 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125856 440719365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248549 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 YQEYIBBJTJIMBM-VQTJNVASSA-N 234465 US10004738, 18::US9353084, 18 Beta-secretase 1 Homo sapiens 4.3 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=234465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=234465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91827634 340094453 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248552 CC#CC(=O)Nc1ccc(F)c(c1)C1(C)Cc2c(F)cncc2C(N)=N1 InChI=1S/C19H16F2N4O/c1-3-4-17(26)24-11-5-6-15(20)14(7-11)19(2)8-12-13(18(22)25-19)9-23-10-16(12)21/h5-7,9-10H,8H2,1-2H3,(H2,22,25)(H,24,26) KNKNZKNSQVEDHJ-UHFFFAOYSA-N 50510807 CHEMBL4560473 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56969382 440719389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248553 C[C@]1(CCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O/c1-18(7-6-16(21)24-18)13-8-12(3-4-14(13)19)23-17(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 AQLNGWVNHZWQHS-SFHVURJKSA-N 50510808 CHEMBL4538160 Beta-secretase 1 Homo sapiens 1047 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155549034 440719390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248554 C[C@@]1(N=C(N)C[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F4N5O/c1-18(15(19(21,22)23)7-16(25)28-18)12-6-11(3-4-13(12)20)27-17(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m1/s1 NYWJEMJBELWPQQ-CRAIPNDOSA-N 50510809 CHEMBL4469173 Beta-secretase 1 Homo sapiens 182 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132230928 440719391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248555 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248556 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1 KXRWMDHPUURSND-USBNGQNGSA-N 160666 US9045498, 8 Beta-secretase 1 Homo sapiens 77 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74B 5T1W 86762648 295369482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248557 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1 ZLZUHACSRMOLLV-RAALSFIWSA-N 223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223395&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118435360 336285270 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248558 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1 KXRWMDHPUURSND-USBNGQNGSA-N 160666 US9045498, 8 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74B 5T1W 86762648 295369482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248561 NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2S/c20-14-3-2-12(25-16(27)15-4-1-11(6-22)7-24-15)5-13(14)19-9-28-8-18(19,21)10-29-17(23)26-19/h1-5,7H,8-10H2,(H2,23,26)(H,25,27)/t18-,19-/m1/s1 CBEJHKWJYXOEBT-RTBURBONSA-N 50510810 CHEMBL4546682 Beta-secretase 1 Homo sapiens 6.7 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117738849 440719392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248563 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@]2(C)CC[C@H]1S2(=O)=O InChI=1S/C21H22ClFN4O3S/c1-11-8-12(22)10-25-17(11)18(28)26-13-4-5-15(23)14(9-13)21(3)16-6-7-20(2,19(24)27-21)31(16,29)30/h4-5,8-10,16H,6-7H2,1-3H3,(H2,24,27)(H,26,28)/t16-,20+,21-/m1/s1 OCEVYHBEVRPQEN-TYCQWZJGSA-N 50510780 CHEMBL4464845 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117844010 440719362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248568 C[C@H]1OC[C@@]2(N=C(N)[C@@](C)(C[C@H]12)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H21FN6O2/c1-13-17-8-22(2,11-26)21(27)30-23(17,12-32-13)16-7-15(4-5-18(16)24)29-20(31)19-6-3-14(9-25)10-28-19/h3-7,10,13,17H,8,12H2,1-2H3,(H2,27,30)(H,29,31)/t13-,17-,22+,23-/m1/s1 XCBQHELRLNEZJO-GVWYEHHWSA-N 50510814 CHEMBL4561901 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142342111 440719396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248571 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C19H18F4N4O2S/c1-9-15(21)19(2,27-18(24)30-9)12-7-10(3-5-13(12)20)26-16(28)14-6-4-11(8-25-14)29-17(22)23/h3-9,15,17H,1-2H3,(H2,24,27)(H,26,28)/t9-,15+,19-/m1/s1 SRRMWNUUTHJEGI-YPUWOAEVSA-N 50510779 CHEMBL4561476 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155558787 440719361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248573 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C22H21FN8O2S/c1-33-18-9-25-17(8-26-18)19(32)29-16-4-2-3-13(5-16)22-12-31(21-27-6-15(23)7-28-21)10-14(22)11-34-20(24)30-22/h2-9,14H,10-12H2,1H3,(H2,24,30)(H,29,32)/t14-,22+/m0/s1 ULOIDZYMPRJOHF-RCDICMHDSA-N 400331 US9999624, 2 Beta-secretase 1 Homo sapiens 0.482000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762781 405260345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248575 NC1=N[C@]2(COC[C@H]2n2cccc12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O2/c23-16-5-4-14(27-21(30)17-6-3-13(9-24)10-26-17)8-15(16)22-12-31-11-19(22)29-7-1-2-18(29)20(25)28-22/h1-8,10,19H,11-12H2,(H2,25,28)(H,27,30)/t19-,22-/m1/s1 CDGLGEQWLCPBHO-DENIHFKCSA-N 50510813 CHEMBL4461226 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132604796 440719395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248576 C[C@]1(C[C@H](SC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H17F5N4O2S/c1-18(7-15(19(22,23)24)31-17(25)28-18)12-6-10(2-4-13(12)21)27-16(29)14-5-3-11(8-26-14)30-9-20/h2-6,8,15H,7,9H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1 SNMHOUWVJNSJDG-YJBOKZPZSA-N 50510775 CHEMBL4445405 Beta-secretase 1 Homo sapiens 5.7 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155517833 440719357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248577 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14F4N6O2/c1-17(6-12(18(20,21)22)30-16(24)28-17)14-10(19)3-5-13(26-14)27-15(29)11-4-2-9(7-23)8-25-11/h2-5,8,12H,6H2,1H3,(H2,24,28)(H,26,27,29)/t12-,17-/m0/s1 JDFWETJUGPKDKZ-SJCJKPOMSA-N 50510818 CHEMBL4558124 Beta-secretase 1 Homo sapiens 3.4 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 77461103 440719400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248578 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-7-29-17(21)25-18(10,8-27-9)15-23-6-13(30-15)24-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5-6,9-10,16H,4,7-8H2,1H3,(H2,21,25)(H,24,26)/t9-,10-,18-/m0/s1 HOPJKOABRBTADP-RAALSFIWSA-N 50510819 CHEMBL4574502 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441560 440719401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248580 C[C@H]1OC[C@@]2(N=C(N)[C@@](C)(C[C@H]12)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H21FN6O2/c1-13-17-8-22(2,11-26)21(27)30-23(17,12-32-13)16-7-15(4-5-18(16)24)29-20(31)19-6-3-14(9-25)10-28-19/h3-7,10,13,17H,8,12H2,1-2H3,(H2,27,30)(H,29,31)/t13-,17-,22+,23-/m1/s1 XCBQHELRLNEZJO-GVWYEHHWSA-N 50510814 CHEMBL4561901 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142342111 440719396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248581 COc1ncc(CC2CCOCC2)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C24H27F2N3O2S/c1-30-22-19-11-24(20-3-2-17(25)10-21(20)26)16(13-32-23(27)29-24)9-18(19)15(12-28-22)8-14-4-6-31-7-5-14/h2-3,10,12,14,16H,4-9,11,13H2,1H3,(H2,27,29)/t16-,24-/m0/s1 HOIGPFAVELSPMQ-FYSMJZIKSA-N 50510815 CHEMBL4530208 Beta-secretase 1 Homo sapiens 0.760000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154031826 440719397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248582 COc1ncc(CC2CCOCC2)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C24H27F2N3O2S/c1-30-22-19-11-24(20-3-2-17(25)10-21(20)26)16(13-32-23(27)29-24)9-18(19)15(12-28-22)8-14-4-6-31-7-5-14/h2-3,10,12,14,16H,4-9,11,13H2,1H3,(H2,27,29)/t16-,24-/m0/s1 HOIGPFAVELSPMQ-FYSMJZIKSA-N 50510815 CHEMBL4530208 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154031826 440719397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248583 CC1(Cc2ncc(F)cc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(8-19-15(20(26)30-22)6-13(23)11-28-19)16-7-14(3-4-17(16)24)29-21(31)18-5-2-12(9-25)10-27-18/h2-7,10-11H,8H2,1H3,(H2,26,30)(H,29,31) CJWAUAHXWLTOSM-UHFFFAOYSA-N 50510820 CHEMBL4438044 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56956281 440719402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248584 COC[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O2S/c1-20(17(22)16(10-29-2)30-19(24)27-20)13-7-12(4-5-14(13)21)26-18(28)15-6-3-11(8-23)9-25-15/h3-7,9,16-17H,10H2,1-2H3,(H2,24,27)(H,26,28)/t16-,17+,20-/m1/s1 WICODOPMYZLCOX-FUHIMQAGSA-N 50510778 CHEMBL4537415 Beta-secretase 1 Homo sapiens 8.3 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441141 440719360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248585 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H19ClFN5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(22)13(7-12)21(11-23)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 IOBHUULPCQQFMD-AVBTWRTFSA-N 171651 US9085576, 285::US9611261, Example 285 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414780 312528313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248587 NC1=N[C@@](CF)([C@H]2[C@@H](S1)C2(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)cc(F)c1F InChI=1S/C17H11ClF5N5OS/c18-10-4-25-9(3-26-10)14(29)27-6-1-7(11(21)8(20)2-6)16(5-19)12-13(17(12,22)23)30-15(24)28-16/h1-4,12-13H,5H2,(H2,24,28)(H,27,29)/t12-,13-,16-/m1/s1 FXZLMEMNHDMNJS-XJKCOSOUSA-N 50510821 CHEMBL4449357 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155520705 440719403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248588 COc1cnc(cn1)C(=O)Nc1ccnc(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C21H20FN9O2S/c1-33-17-8-25-15(7-26-17)18(32)29-14-2-3-24-16(4-14)21-11-31(20-27-5-13(22)6-28-20)9-12(21)10-34-19(23)30-21/h2-8,12H,9-11H2,1H3,(H2,23,30)(H,24,29,32)/t12-,21-/m0/s1 IIMOLGKMCNSOEC-QKVFXAPYSA-N 50510822 CHEMBL4526395 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91885601 440719404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248589 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nc3ccc(nc3s2)C#N)ccc1F InChI=1S/C21H16F4N6O2S/c1-19(9-33-20(2,18(27)31-19)21(23,24)25)12-7-10(3-5-13(12)22)28-15(32)17-30-14-6-4-11(8-26)29-16(14)34-17/h3-7H,9H2,1-2H3,(H2,27,31)(H,28,32)/t19-,20+/m0/s1 HOQHGBYCOAWGHX-VQTJNVASSA-N 50510784 CHEMBL4440268 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134284187 440719366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248590 CC(F)(F)[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C21H19F3N8O2S/c1-20(23,24)17-13-7-35-19(25)31-21(13,8-34-17)12-4-11(2-3-14(12)22)30-18(33)15-5-28-16(6-27-15)32-10-26-9-29-32/h2-6,9-10,13,17H,7-8H2,1H3,(H2,25,31)(H,30,33)/t13-,17+,21-/m1/s1 XANIWDNIBGABPW-GQNMWPQZSA-N 50510786 CHEMBL4473955 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122484483 440719368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248591 NC1=N[C@]2(COC[C@H]2n2cccc12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O2/c23-16-5-4-14(27-21(30)17-6-3-13(9-24)10-26-17)8-15(16)22-12-31-11-19(22)29-7-1-2-18(29)20(25)28-22/h1-8,10,19H,11-12H2,(H2,25,28)(H,27,30)/t19-,22-/m1/s1 CDGLGEQWLCPBHO-DENIHFKCSA-N 50510813 CHEMBL4461226 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132604796 440719395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248592 C[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1 AACUJFVOHGRMTR-DPXNYUHVSA-N 50510823 E-2609::E2609::Elenbecestat Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57827330 440719405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248593 CC(F)(F)[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C20H20F4N4O2S/c1-19(8-16(20(2,23)24)31-18(25)28-19)13-7-11(3-5-14(13)22)27-17(29)15-6-4-12(9-26-15)30-10-21/h3-7,9,16H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16-,19-/m0/s1 RDTPYVBRIVZCGY-LPHOPBHVSA-N 50510816 CHEMBL4475802 Beta-secretase 1 Homo sapiens 6.1 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155537873 440719398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248594 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 270 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248596 CN1C(N)=N[C@@](C)(C[S@@]1(=O)=NCC(F)(F)F)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H21F4N7O2S/c1-12-6-13(8-26)9-28-17(12)18(33)30-14-4-5-16(22)15(7-14)20(2)11-35(34,29-10-21(23,24)25)32(3)19(27)31-20/h4-7,9H,10-11H2,1-3H3,(H2,27,31)(H,30,33)/t20-,35+/m0/s1 OOHXZINQBNNEIN-NFVVUBBGSA-N 50510824 CHEMBL4573117 Beta-secretase 1 Homo sapiens 0.990000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155563223 440719406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248597 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)C(C)(C)[S@@]2(=O)=NCC[C@@H]12)C#N InChI=1S/C22H24FN7O2S/c1-12-9-13(10-24)11-26-17(12)19(31)29-16-6-5-14(23)18(28-16)22(4)15-7-8-27-33(15,32)21(2,3)20(25)30-22/h5-6,9,11,15H,7-8H2,1-4H3,(H2,25,30)(H,28,29,31)/t15-,22-,33+/m0/s1 LSCQPPWZVQBXPX-MTWDGSDZSA-N 50510825 CHEMBL4578357 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121278479 440719407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248598 C[C@@]1(N=C(N)OC2(COC2)[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F2N5O3/c1-19(17(22)20(9-29-10-20)30-18(24)27-19)13-6-12(3-4-14(13)21)26-16(28)15-5-2-11(7-23)8-25-15/h2-6,8,17H,9-10H2,1H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1 CAOIKBMZGWUTGW-PKOBYXMFSA-N 50510826 CHEMBL4584131 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155566239 440719408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248599 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 InChI=1S/C21H19ClFN5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(22)13(7-12)21(11-23)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 IOBHUULPCQQFMD-AVBTWRTFSA-N 171651 US9085576, 285::US9611261, Example 285 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=171651&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90414780 312528313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248601 CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C20H19FN6O3S/c1-19(20(7-8-20)31(29,30)27(2)18(23)26-19)14-9-13(4-5-15(14)21)25-17(28)16-6-3-12(10-22)11-24-16/h3-6,9,11H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m1/s1 DEBDBRRAVDUWFZ-LJQANCHMSA-N 50510827 CHEMBL4474110 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118190070 440719409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248602 CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20FN5O4S/c1-20(2)19(24)27-21(11-31-10-17(21)32(20,29)30)14-7-13(4-5-15(14)22)26-18(28)16-6-3-12(8-23)9-25-16/h3-7,9,17H,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/s1 ZRQWZDZYZAYTLY-DYESRHJHSA-N 236591 US9365589, 1r Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236591&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593331 340130178 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248603 CN1C[C@H](N=C(N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H21FN6O3S/c1-20(2)19(23)26-17(11-27(3)31(20,29)30)14-8-13(5-6-15(14)21)25-18(28)16-7-4-12(9-22)10-24-16/h4-8,10,17H,11H2,1-3H3,(H2,23,26)(H,25,28)/t17-/m0/s1 HFDVQFLUUCLMRC-KRWDZBQOSA-N 50510805 CHEMBL4525546 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155543145 440719387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248604 COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(N)=N3)nccc2c1 InChI=1S/C20H21FN6O3S/c1-20(11-31(28,29)27(2)19(22)26-20)15-9-13(4-5-16(15)21)25-18-17-12(6-7-23-18)8-14(30-3)10-24-17/h4-10H,11H2,1-3H3,(H2,22,26)(H,23,25)/t20-/m0/s1 QBRFLMCPVOBSGI-FQEVSTJZSA-N 50510812 CHEMBL4451647 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122435134 440719394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248605 C[C@]1(Cc2nccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H16FN7O/c1-21(9-17-18(19(24)29-21)26-7-6-25-17)14-8-13(3-4-15(14)22)28-20(30)16-5-2-12(10-23)11-27-16/h2-8,11H,9H2,1H3,(H2,24,29)(H,28,30)/t21-/m0/s1 MOKMVNJIQFEFGZ-NRFANRHFSA-N 50510828 CHEMBL4536395 Beta-secretase 1 Homo sapiens 63 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118974304 440719410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248608 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F InChI=1S/C19H20F3N5O2/c1-18(22)7-14(21)19(2,27-17(18)23)11-6-10(4-5-12(11)20)26-16(28)13-8-25-15(29-3)9-24-13/h4-6,8-9,14H,7H2,1-3H3,(H2,23,27)(H,26,28)/t14-,18-,19+/m0/s1 LMPPAZCPPBTWFD-ZOCIIQOWSA-N 270546 N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide::US10059669, Compound 2::US10059669, Compound 20 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=270546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=270546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121334876 378152429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248609 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F)S(C)(=O)=O InChI=1S/C21H23F3N4O4S/c1-20(33(2,30)31)7-8-21(11-22,28-19(20)25)15-9-13(3-5-16(15)24)27-18(29)17-6-4-14(10-26-17)32-12-23/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,25,28)(H,27,29)/t20-,21-/m1/s1 DIDCPXSDZDVMCX-NHCUHLMSSA-N 50510806 CHEMBL4565391 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155544727 440719388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248610 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC[C@@](C)(C#N)C(N)=N1 InChI=1S/C21H22FN5O2/c1-20(12-23)8-9-21(2,27-19(20)24)15-10-13(4-6-16(15)22)26-18(28)17-7-5-14(29-3)11-25-17/h4-7,10-11H,8-9H2,1-3H3,(H2,24,27)(H,26,28)/t20-,21-/m0/s1 CVLSLISEKNKGRA-SFTDATJTSA-N 50510768 CHEMBL4556248 Beta-secretase 1 Homo sapiens 6.9 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155556725 440719350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248611 NC1=N[C@@]2(COc3ccc(NC(=O)c4cnc(OCC(F)(F)F)cn4)cc23)[C@@H](C1)C(F)(F)F InChI=1S/C19H15F6N5O3/c20-18(21,22)8-33-15-6-27-11(5-28-15)16(31)29-9-1-2-12-10(3-9)17(7-32-12)13(19(23,24)25)4-14(26)30-17/h1-3,5-6,13H,4,7-8H2,(H2,26,30)(H,29,31)/t13-,17-/m1/s1 NHPOYCGIZBWSCG-CXAGYDPISA-N 50510829 CHEMBL4464129 Beta-secretase 1 Homo sapiens 7079 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155530158 440719411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248612 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1 InChI=1S/C18H19F2N5O3S2/c1-9-4-10-7-29-17(21)25-18(10,8-27-9)15-23-6-13(30-15)24-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5-6,9-10,16H,4,7-8H2,1H3,(H2,21,25)(H,24,26)/t9-,10-,18-/m0/s1 HOPJKOABRBTADP-RAALSFIWSA-N 50510819 CHEMBL4574502 Beta-secretase 1 Homo sapiens 13600 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441560 440719401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248614 Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC[C@@H]3[C@](C)(N=C(N)C(C)(C)S3(=O)=O)c2c1 InChI=1S/C22H25ClN4O4S/c1-12-9-13(23)11-25-18(12)19(28)26-14-5-6-16-15(10-14)22(4)17(7-8-31-16)32(29,30)21(2,3)20(24)27-22/h5-6,9-11,17H,7-8H2,1-4H3,(H2,24,27)(H,26,28)/t17-,22-/m1/s1 GPTXVAMKJRVWAD-VGOFRKELSA-N 50510772 CHEMBL4450749 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90308598 440719354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248617 C[C@]1(CS2(=O)=NCCCCN2C(N)=N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H21FN8O2S/c1-20(12-32(31)25-8-2-3-9-29(32)19(23)28-20)17-14(21)5-7-16(26-17)27-18(30)15-6-4-13(10-22)11-24-15/h4-7,11H,2-3,8-9,12H2,1H3,(H2,23,28)(H,26,27,30)/t20-,32?/m0/s1 DYQFDFNWDFGGCC-QIFAOCFZSA-N 50510830 CHEMBL4471085 Beta-secretase 1 Homo sapiens 49 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135219058 440719412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248618 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 PSBBWFNMHDUTRH-DLBZAZTESA-N 116257 US10035794, Example 34::US10683287, Example 34::US8637508, 34 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUH 6EQM 88602735 199996641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248620 COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@@]1(F)C[C@](C)(F)C(N)=N2 InChI=1S/C21H21F3N4O3/c1-19(23)9-20(24)10-31-11-21(20,28-18(19)25)14-7-12(3-5-15(14)22)27-17(29)16-6-4-13(30-2)8-26-16/h3-8H,9-11H2,1-2H3,(H2,25,28)(H,27,29)/t19-,20-,21+/m0/s1 KAFPMBZSTVDIGX-PCCBWWKXSA-N 50510831 CHEMBL4531279 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126591378 440719413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248621 C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F3N5O2/c1-19(20(9-21(23,24)10-20)11-31-18(26)29-19)14-6-13(3-4-15(14)22)28-17(30)16-5-2-12(7-25)8-27-16/h2-6,8H,9-11H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1 YPZQDTUAKKQVGK-LJQANCHMSA-N 50510797 CHEMBL4439134 Beta-secretase 1 Homo sapiens 0.615000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118440832 440719379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248623 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 VQSRKMNBWMHJKY-YTEVENLXSA-N 400979 US9999624, Compound 4 Beta-secretase 1 Homo sapiens 0.615000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZR7 7MYU 78210254 405260980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248624 C[C@]1(Cn2cnc(C(F)F)c2C(N)=N1)c1cc(NC(=O)c2ccc(cc2)C#N)ccc1F InChI=1S/C22H17F3N6O/c1-22(10-31-11-28-17(19(24)25)18(31)20(27)30-22)15-8-14(6-7-16(15)23)29-21(32)13-4-2-12(9-26)3-5-13/h2-8,11,19H,10H2,1H3,(H2,27,30)(H,29,32)/t22-/m0/s1 VNTYARFSJRGDMJ-QFIPXVFZSA-N 50510773 CHEMBL4525240 Beta-secretase 1 Homo sapiens 0.950000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155538806 440719355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248625 NC1=N[C@]2(CO[C@@H]([C@H]2CO1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H15F7N4O3/c21-13-3-2-10(30-16(32)14-4-1-9(6-29-14)19(22,23)24)5-11(13)18-8-34-15(20(25,26)27)12(18)7-33-17(28)31-18/h1-6,12,15H,7-8H2,(H2,28,31)(H,30,32)/t12-,15+,18-/m1/s1 IUMONGPGCXVDPB-HNJNHCNJSA-N 50510811 CHEMBL4515824 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50898731 440719393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248626 C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(ccc1F)-c1cc(no1)-c1cnc(cn1)C#N InChI=1S/C20H14F4N6O2/c1-19(6-17(20(22,23)24)31-18(26)29-19)12-4-10(2-3-13(12)21)16-5-14(30-32-16)15-9-27-11(7-25)8-28-15/h2-5,8-9,17H,6H2,1H3,(H2,26,29)/t17-,19-/m0/s1 WBDPTTURMSYRBN-HKUYNNGSSA-N 50510832 CHEMBL4437812 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155512503 440719414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248627 C[C@@]1(N=C(N)O[C@@H]2CCCC(F)(F)[C@H]12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F3N5O2/c1-21(18-17(32-20(27)30-21)3-2-8-22(18,24)25)14-9-13(5-6-15(14)23)29-19(31)16-7-4-12(10-26)11-28-16/h4-7,9,11,17-18H,2-3,8H2,1H3,(H2,27,30)(H,29,31)/t17-,18+,21-/m1/s1 DGDKPTCWEGAKGS-LVCYWYKZSA-N 50510833 CHEMBL4574605 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72943702 440719415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248628 CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1 SFRFSUMBDAYLDH-VQIMIIECSA-N 50271172 CHEMBL4127711 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 129202062 405255749 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248631 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H21F3N4O3S/c1-11-6-12-9-32-20(25)28-21(12,10-30-11)15-7-13(2-4-16(15)22)27-18(29)17-5-3-14(8-26-17)31-19(23)24/h2-5,7-8,11-12,19H,6,9-10H2,1H3,(H2,25,28)(H,27,29)/t11-,12-,21-/m0/s1 ZRDISNFFMHLYBW-OABGYEMISA-N 312936 US9605007, Comparator 3::US9744173, Comparator 4 Beta-secretase 1 Homo sapiens <1.000000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118441559 383539885 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248633 CC(F)(F)[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C21H19F3N8O2S/c1-20(23,24)17-13-7-35-19(25)31-21(13,8-34-17)12-4-11(2-3-14(12)22)30-18(33)15-5-28-16(6-27-15)32-10-26-9-29-32/h2-6,9-10,13,17H,7-8H2,1H3,(H2,25,31)(H,30,33)/t13-,17+,21-/m1/s1 XANIWDNIBGABPW-GQNMWPQZSA-N 50510786 CHEMBL4473955 Beta-secretase 1 Homo sapiens 0.385000 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122484483 440719368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248634 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F)S(C)(=O)=O InChI=1S/C21H23F3N4O4S/c1-20(33(2,30)31)7-8-21(11-22,28-19(20)25)15-9-13(3-5-16(15)24)27-18(29)17-6-4-14(10-26-17)32-12-23/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,25,28)(H,27,29)/t20-,21-/m1/s1 DIDCPXSDZDVMCX-NHCUHLMSSA-N 50510806 CHEMBL4565391 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155544727 440719388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248635 NC1=N[C@@](CF)([C@H]2[C@@H](S1)C2(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)cc(F)c1F InChI=1S/C17H11ClF5N5OS/c18-10-4-25-9(3-26-10)14(29)27-6-1-7(11(21)8(20)2-6)16(5-19)12-13(17(12,22)23)30-15(24)28-16/h1-4,12-13H,5H2,(H2,24,28)(H,27,29)/t12-,13-,16-/m1/s1 FXZLMEMNHDMNJS-XJKCOSOUSA-N 50510821 CHEMBL4449357 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155520705 440719403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248636 NC1=N[C@]2(CO[C@@H]([C@H]2CO1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H15F7N4O3/c21-13-3-2-10(30-16(32)14-4-1-9(6-29-14)19(22,23)24)5-11(13)18-8-34-15(20(25,26)27)12(18)7-33-17(28)31-18/h1-6,12,15H,7-8H2,(H2,28,31)(H,30,32)/t12-,15+,18-/m1/s1 IUMONGPGCXVDPB-HNJNHCNJSA-N 50510811 CHEMBL4515824 Beta-secretase 1 Homo sapiens 1.0 ChEMBL 10.1016/j.bmcl.2018.12.049 10.7270/Q2S185SH 30709653 Hsiao, CC; Rombouts, F; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50898731 440719393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51248662 C(Nc1c2CCCCc2nc2ccccc12)c1ccc(cc1)-c1ccc(CNc2c3CCCCc3nc3ccccc23)cc1 InChI=1S/C40H38N4/c1-5-13-35-31(9-1)39(32-10-2-6-14-36(32)43-35)41-25-27-17-21-29(22-18-27)30-23-19-28(20-24-30)26-42-40-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)40/h1,3,5,7,9,11,13,15,17-24H,2,4,6,8,10,12,14,16,25-26H2,(H,41,43)(H,42,44) WIXYVLRIZYZCIN-UHFFFAOYSA-N 50510840 CHEMBL4456928 Beta-secretase 1 Homo sapiens 2770 ChEMBL 10.1016/j.bmc.2019.01.025 10.7270/Q2N87F3N 30744931 Mishra, P; Kumar, A; Panda, G CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46937311 440719422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223082 CN1C[C@](C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1 IBPGEEKFYIPLRV-SFHVURJKSA-N 50502597 CHEMBL4550000 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56593478 440711182 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223083 C[C@]1(Cn2cccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 FZFJUKOAGOAQFB-NRFANRHFSA-N 50012662 CHEMBL3261075 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7D 6OD6 90656190 103924915 CHEMBL3261075 ZINC29412051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223084 C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C20H17N7O/c1-20(12-27-17(7-8-24-27)18(22)26-20)14-3-2-4-15(9-14)25-19(28)16-6-5-13(10-21)11-23-16/h2-9,11H,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 WNSFYBCKLLABCJ-FQEVSTJZSA-N 50502598 CHEMBL4521954 Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223085 C[C@]1(Cn2ncnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1 JFCUNFPTQJPQES-IBGZPJMESA-N 50502599 CHEMBL4438397 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223086 C[C@]1(Cn2nnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN9O/c1-18(9-28-16(15(21)24-18)25-26-27-28)12-6-11(3-4-13(12)19)23-17(29)14-5-2-10(7-20)8-22-14/h2-6,8H,9H2,1H3,(H2,21,24)(H,23,29)/t18-/m0/s1 NXQAJOXTJCKILO-SFHVURJKSA-N 50502600 CHEMBL4446937 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223095 C[C@]1(Cn2cccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 FZFJUKOAGOAQFB-NRFANRHFSA-N 50012662 CHEMBL3261075 Beta-secretase 1 Homo sapiens 6.2 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012662&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 7D 6OD6 90656190 103924915 CHEMBL3261075 ZINC29412051 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223096 C[C@]1(Cn2cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16FN7O/c1-20(10-28-11-24-9-17(28)18(23)27-20)14-6-13(3-4-15(14)21)26-19(29)16-5-2-12(7-22)8-25-16/h2-6,8-9,11H,10H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 OBLWDHIBZWAGSY-FQEVSTJZSA-N 50502602 CHEMBL4557890 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86293009 440711187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223097 C[C@]1(Cn2cnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(9-28-10-24-27-17(28)16(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 ZSMIUGRYJRMLRW-IBGZPJMESA-N 50502596 CHEMBL4473647 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155536618 440711181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223099 C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 PURBTYQRCRLUGF-FQEVSTJZSA-N 50502601 CHEMBL4525199 Beta-secretase 1 Homo sapiens 6.3 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223100 CN1C[C@](C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1 IBPGEEKFYIPLRV-SFHVURJKSA-N 50502597 CHEMBL4550000 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223101 C[C@]1(Cn2ncnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1 JFCUNFPTQJPQES-IBGZPJMESA-N 50502599 CHEMBL4438397 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223102 C[C@]1(Cn2nnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN9O/c1-18(9-28-16(15(21)24-18)25-26-27-28)12-6-11(3-4-13(12)19)23-17(29)14-5-2-10(7-20)8-22-14/h2-6,8H,9H2,1H3,(H2,21,24)(H,23,29)/t18-/m0/s1 NXQAJOXTJCKILO-SFHVURJKSA-N 50502600 CHEMBL4446937 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223103 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 XIOGEDRAOXMYRT-IBGZPJMESA-N 338837 US9751886, Compound 2 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294744 384990811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223106 C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 PURBTYQRCRLUGF-FQEVSTJZSA-N 50502601 CHEMBL4525199 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121298035 440711186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223107 C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H16ClFN6O/c1-19(10-27-7-6-23-17(27)16(22)26-19)13-8-12(3-4-14(13)21)25-18(28)15-5-2-11(20)9-24-15/h2-9H,10H2,1H3,(H2,22,26)(H,25,28)/t19-/m0/s1 POIHLBHMIQIQIE-IBGZPJMESA-N 50502603 CHEMBL4466470 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117754251 440711188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223108 C[C@]1(Cn2cnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(9-28-10-24-27-17(28)16(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 ZSMIUGRYJRMLRW-IBGZPJMESA-N 50502596 CHEMBL4473647 Beta-secretase 1 Homo sapiens 6.6 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155536618 440711181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223112 C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H16ClFN6O/c1-19(10-27-7-6-23-17(27)16(22)26-19)13-8-12(3-4-14(13)21)25-18(28)15-5-2-11(20)9-24-15/h2-9H,10H2,1H3,(H2,22,26)(H,25,28)/t19-/m0/s1 POIHLBHMIQIQIE-IBGZPJMESA-N 50502603 CHEMBL4466470 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502603&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 117754251 440711188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223113 C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15FN8O/c1-19(10-28-16(9-24-27-28)17(22)26-19)13-6-12(3-4-14(13)20)25-18(29)15-5-2-11(7-21)8-23-15/h2-6,8-9H,10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1 XIOGEDRAOXMYRT-IBGZPJMESA-N 338837 US9751886, Compound 2 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=338837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=338837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86294744 384990811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223114 C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C20H17N7O/c1-20(12-27-17(7-8-24-27)18(22)26-20)14-3-2-4-15(9-14)25-19(28)16-6-5-13(10-21)11-23-16/h2-9,11H,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 WNSFYBCKLLABCJ-FQEVSTJZSA-N 50502598 CHEMBL4521954 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60194610 440711183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51223115 C[C@]1(Cn2cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16FN7O/c1-20(10-28-11-24-9-17(28)18(23)27-20)14-6-13(3-4-15(14)21)26-19(29)16-5-2-12(7-22)8-25-16/h2-6,8-9,11H,10H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 OBLWDHIBZWAGSY-FQEVSTJZSA-N 50502602 CHEMBL4557890 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acsmedchemlett.9b00181 10.7270/Q2542RT5 31413800 Oehlrich, D; Peschiulli, A; Tresadern, G; Van Gool, M; Vega, JA; De Lucas, AI; Alonso de Diego, SA; Prokopcova, H; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Rombouts, FJR; Macdonald, G; Moechars, D; Gijsen, HJM; Trabanco, AA Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502602&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86293009 440711187 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51243620 COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1 InChI=1S/C33H48N4OS/c1-38-26-12-13-30-28(19-26)31(27-10-6-7-11-29(27)36-30)34-14-8-4-2-3-5-9-15-35-32(39)37-33-20-23-16-24(21-33)18-25(17-23)22-33/h12-13,19,23-25H,2-11,14-18,20-22H2,1H3,(H,34,36)(H2,35,37,39) XKQZQFKGCCBLCH-UHFFFAOYSA-N 50508991 CHEMBL4566976 Beta-secretase 1 Homo sapiens 18400 ChEMBL 10.1016/j.ejmech.2019.07.040 10.7270/Q2222Z25 31401465 Rodríguez-Soacha, DA; Scheiner, M; Decker, M Julius Maximilian University of W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50508991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50508991&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155543947 440717576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51234880 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 0.380000 ChEMBL 10.1021/acs.jmedchem.9b01140 10.7270/Q2CJ8HRN 31549838 Tadano, G; Komano, K; Yoshida, S; Suzuki, S; Nakahara, K; Fuchino, K; Fujimoto, K; Matsuoka, E; Yamamoto, T; Asada, N; Ito, H; Sakaguchi, G; Kanegawa, N; Kido, Y; Ando, S; Fukushima, T; Teisman, A; Urmaliya, V; Dhuyvetter, D; Borghys, H; Van Den Bergh, A; Austin, N; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51234882 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.9b01140 10.7270/Q2CJ8HRN 31549838 Tadano, G; Komano, K; Yoshida, S; Suzuki, S; Nakahara, K; Fuchino, K; Fujimoto, K; Matsuoka, E; Yamamoto, T; Asada, N; Ito, H; Sakaguchi, G; Kanegawa, N; Kido, Y; Ando, S; Fukushima, T; Teisman, A; Urmaliya, V; Dhuyvetter, D; Borghys, H; Van Den Bergh, A; Austin, N; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51233049 CC1(C)Oc2ccc(C(=O)\C=C\c3ccc(O)cc3)c(O)c2C=C1 InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+ IQHPDUUSMBMDGN-WEVVVXLNSA-N 50240945 (E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one::1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxy-phenyl)-propenone::4-hydroxyisolonchocarpin::4-hydroxylonchocarpin::CHEMBL362378 Beta-secretase 1 Homo sapiens 9800 ChEMBL 10.1016/j.bmcl.2019.03.024 10.7270/Q2HH6PBG 30910460 Tu, Y; Wu, C; Kang, Y; Li, Q; Zhu, C; Li, Y Sichuan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5889042 104098515 CHEMBL362378 ZINC14557836 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247190 Clc1ccc2nc([nH]c2c1)-c1cccc(c1)N1CCc2ccccc2C1 InChI=1S/C22H18ClN3/c23-18-8-9-20-21(13-18)25-22(24-20)16-6-3-7-19(12-16)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,24,25) RJRGCJZXVMFKSA-UHFFFAOYSA-N 50510134 CHEMBL4458644 Beta-secretase 1 Homo sapiens 1300 ChEMBL 10.1016/j.ejmech.2019.02.008 10.7270/Q2B27ZK8 30771601 Fang, Y; Zhou, H; Gu, Q; Xu, J Sun Yat-sen University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510134&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146737289 440718716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247191 FC(F)(F)Oc1ccc2nc([nH]c2c1)-c1cccc(n1)N1CCc2ccccc2C1 InChI=1S/C22H17F3N4O/c23-22(24,25)30-16-8-9-17-19(12-16)28-21(27-17)18-6-3-7-20(26-18)29-11-10-14-4-1-2-5-15(14)13-29/h1-9,12H,10-11,13H2,(H,27,28) PVORQJIYGNGHOY-UHFFFAOYSA-N 50510135 CHEMBL4554770 Beta-secretase 1 Homo sapiens 1100 ChEMBL 10.1016/j.ejmech.2019.02.008 10.7270/Q2B27ZK8 30771601 Fang, Y; Zhou, H; Gu, Q; Xu, J Sun Yat-sen University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 148980171 440718717 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247192 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.ejmech.2019.02.008 10.7270/Q2B27ZK8 30771601 Fang, Y; Zhou, H; Gu, Q; Xu, J Sun Yat-sen University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247195 Clc1ccc2nc([nH]c2c1)-c1cccc(n1)N1CCc2ccccc2C1 InChI=1S/C21H17ClN4/c22-16-8-9-17-19(12-16)25-21(24-17)18-6-3-7-20(23-18)26-11-10-14-4-1-2-5-15(14)13-26/h1-9,12H,10-11,13H2,(H,24,25) NPCWVGZQSDZVHW-UHFFFAOYSA-N 50510136 CHEMBL4532096 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.ejmech.2019.02.008 10.7270/Q2B27ZK8 30771601 Fang, Y; Zhou, H; Gu, Q; Xu, J Sun Yat-sen University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510136&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 148667961 440718718 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51247196 FC(F)(F)c1ccc2nc([nH]c2c1)-c1cccc(n1)N1CCc2ccccc2C1 InChI=1S/C22H17F3N4/c23-22(24,25)16-8-9-17-19(12-16)28-21(27-17)18-6-3-7-20(26-18)29-11-10-14-4-1-2-5-15(14)13-29/h1-9,12H,10-11,13H2,(H,27,28) XFXNOPJDCWHCHB-UHFFFAOYSA-N 50510137 CHEMBL4574899 Beta-secretase 1 Homo sapiens 3600 ChEMBL 10.1016/j.ejmech.2019.02.008 10.7270/Q2B27ZK8 30771601 Fang, Y; Zhou, H; Gu, Q; Xu, J Sun Yat-sen University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 149207555 440718719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221350 C[C@@]1(N=C(N)SC[C@@H]1c1ccccc1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23-/m1/s1 BCDWEYSMCDBNJS-UZUQRXQVSA-N 50501806 CHEMBL4473080 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6R 6JSE 138857908 440710391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221353 C[C@@]1(N=C(N)SC[C@H]1c1ccccc1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23+/m0/s1 BCDWEYSMCDBNJS-GAJHUEQPSA-N 50501809 CHEMBL4463201 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C7X 6JSF 138857909 440710394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221355 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221356 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 MKQFGRIUTNJQSW-SFHVURJKSA-N 50501811 CHEMBL4535964 Beta-secretase 1 Homo sapiens 3.2 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25115954 440710396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221357 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C17H16F3N5OS/c1-17(4-5-27-16(21)25-17)10-6-9(2-3-11(10)18)24-15(26)13-8-22-12(7-23-13)14(19)20/h2-3,6-8,14H,4-5H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1 CVKJPGNYHYLYIO-KRWDZBQOSA-N 50501807 CHEMBL4563915 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155559529 440710392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221358 CO[C@H]1CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H19F2N5O3S/c1-18(14(27-2)8-29-17(21)25-18)11-5-10(3-4-12(11)20)24-16(26)13-6-23-15(7-22-13)28-9-19/h3-7,14H,8-9H2,1-2H3,(H2,21,25)(H,24,26)/t14-,18+/m0/s1 MUPBDTQMTBLIBE-KBXCAEBGSA-N 50501812 CHEMBL4451133 Beta-secretase 1 Homo sapiens 8.3 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155522051 440710397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221359 C[C@@]1(N=C(N)SC[C@H]1c1ccccc1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23+/m0/s1 BCDWEYSMCDBNJS-GAJHUEQPSA-N 50501809 CHEMBL4463201 Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C7X 6JSF 138857909 440710394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221360 C[C@@]1(N=C(N)SC[C@@H]1C1CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H25F2N5O3S/c1-22(16(11-33-21(25)29-22)13-4-6-31-7-5-13)15-8-14(2-3-17(15)24)28-20(30)18-9-27-19(10-26-18)32-12-23/h2-3,8-10,13,16H,4-7,11-12H2,1H3,(H2,25,29)(H,28,30)/t16-,22-/m1/s1 PZCOYONDHXLHIX-OPAMFIHVSA-N 50501813 CHEMBL4587362 Beta-secretase 1 Homo sapiens 3.2 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221361 C[C@@]1(N=C(N)SCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O2S/c1-18(19(7-20(23,24)8-19)9-32-17(25)29-18)12-4-11(2-3-13(12)22)28-16(30)14-5-27-15(6-26-14)31-10-21/h2-6H,7-10H2,1H3,(H2,25,29)(H,28,30)/t18-/m1/s1 NHIZASHNRARLRK-GOSISDBHSA-N 50501814 CHEMBL4592239 Beta-secretase 1 Homo sapiens 5.5 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126693231 440710399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221362 C[C@@]1(N=C(N)SCC11CCS(=O)(=O)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 DZTJZUAOGBUBNK-HXUWFJFHSA-N 50501808 CHEMBL4465534 Beta-secretase 1 Homo sapiens 3.8 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 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1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221370 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 VVZZZUNCWSTIOI-KRWDZBQOSA-N 50432632 CHEMBL2347211 Beta-secretase 1 Homo sapiens 0.930000 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6U 6JSG 50938551 164161507 CHEMBL2347211 ZINC34951408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221371 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C17H16F3N5OS/c1-17(4-5-27-16(21)25-17)10-6-9(2-3-11(10)18)24-15(26)13-8-22-12(7-23-13)14(19)20/h2-3,6-8,14H,4-5H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1 CVKJPGNYHYLYIO-KRWDZBQOSA-N 50501807 CHEMBL4563915 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155559529 440710392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221372 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C18H17F4N5O2S/c1-17(4-5-30-16(23)27-17)11-6-10(2-3-12(11)19)26-15(28)13-7-25-14(8-24-13)29-9-18(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 DIQQTCZQBJWAIV-KRWDZBQOSA-N 50501817 CHEMBL4536643 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250417 440710402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221373 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C17H17F2N5O2S/c1-17(4-5-27-16(20)24-17)11-6-10(2-3-12(11)19)23-15(25)13-7-22-14(8-21-13)26-9-18/h2-3,6-8H,4-5,9H2,1H3,(H2,20,24)(H,23,25)/t17-/m0/s1 BXIRVKRXOFHZBJ-KRWDZBQOSA-N 50501816 CHEMBL4568202 Beta-secretase 1 Homo sapiens 1.8 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155560600 440710401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221374 C[C@@]1(N=C(N)SC[C@@H]1C1CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H25F2N5O3S/c1-22(16(11-33-21(25)29-22)13-4-6-31-7-5-13)15-8-14(2-3-17(15)24)28-20(30)18-9-27-19(10-26-18)32-12-23/h2-3,8-10,13,16H,4-7,11-12H2,1H3,(H2,25,29)(H,28,30)/t16-,22-/m1/s1 PZCOYONDHXLHIX-OPAMFIHVSA-N 50501813 CHEMBL4587362 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155566643 440710398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221375 C[C@@]1(N=C(N)SCC11CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O3S/c1-20(21(4-6-30-7-5-21)11-32-19(24)28-20)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)31-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 WFVMDJXIYGUERD-HXUWFJFHSA-N 50501818 CHEMBL4583340 Beta-secretase 1 Homo sapiens 6.8 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155565975 440710403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221376 C[C@@]1(N=C(N)SCC11CCC(F)(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H23F4N5O2S/c1-20(21(11-34-19(27)31-20)4-6-22(25,26)7-5-21)14-8-13(2-3-15(14)24)30-18(32)16-9-29-17(10-28-16)33-12-23/h2-3,8-10H,4-7,11-12H2,1H3,(H2,27,31)(H,30,32)/t20-/m1/s1 KQYDNWCBVYLWOX-HXUWFJFHSA-N 50501810 CHEMBL4443968 Beta-secretase 1 Homo sapiens 4.3 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155516667 440710395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221377 C[C@@]1(N=C(N)SCC11CCS(=O)(=O)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 DZTJZUAOGBUBNK-HXUWFJFHSA-N 50501808 CHEMBL4465534 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C7O 6JSZ,6JSN 138454796 440710393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221378 C[C@@]1(N=C(N)SCC11CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O3S/c1-20(21(4-6-30-7-5-21)11-32-19(24)28-20)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)31-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 WFVMDJXIYGUERD-HXUWFJFHSA-N 50501818 CHEMBL4583340 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155565975 440710403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221380 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C18H17F4N5O2S/c1-17(4-5-30-16(23)27-17)11-6-10(2-3-12(11)19)26-15(28)13-7-25-14(8-24-13)29-9-18(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 DIQQTCZQBJWAIV-KRWDZBQOSA-N 50501817 CHEMBL4536643 Beta-secretase 1 Homo sapiens 7.2 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59250417 440710402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221382 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H18FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 XVSCHNRASRAPMA-KRWDZBQOSA-N 50501819 CHEMBL4561732 Beta-secretase 1 Homo sapiens 5.4 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45255111 440710404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221384 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C17H17F2N5O2S/c1-17(4-5-27-16(20)24-17)11-6-10(2-3-12(11)19)23-15(25)13-7-22-14(8-21-13)26-9-18/h2-3,6-8H,4-5,9H2,1H3,(H2,20,24)(H,23,25)/t17-/m0/s1 BXIRVKRXOFHZBJ-KRWDZBQOSA-N 50501816 CHEMBL4568202 Beta-secretase 1 Homo sapiens 4.9 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155560600 440710401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221385 C[C@@]1(N=C(N)SCC11CCC(F)(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H23F4N5O2S/c1-20(21(11-34-19(27)31-20)4-6-22(25,26)7-5-21)14-8-13(2-3-15(14)24)30-18(32)16-9-29-17(10-28-16)33-12-23/h2-3,8-10H,4-7,11-12H2,1H3,(H2,27,31)(H,30,32)/t20-/m1/s1 KQYDNWCBVYLWOX-HXUWFJFHSA-N 50501810 CHEMBL4443968 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155516667 440710395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221387 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H16F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 DILGPRAZNUBLGP-KRWDZBQOSA-N 50501815 CHEMBL4582946 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59374702 440710400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221388 C[C@@]1(N=C(N)SC[C@@H]1c1ccccc1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23-/m1/s1 BCDWEYSMCDBNJS-UZUQRXQVSA-N 50501806 CHEMBL4473080 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C6R 6JSE 138857908 440710391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221389 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H16F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 DILGPRAZNUBLGP-KRWDZBQOSA-N 50501815 CHEMBL4582946 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59374702 440710400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221390 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 InChI=1S/C17H18FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 XVSCHNRASRAPMA-KRWDZBQOSA-N 50501819 CHEMBL4561732 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 45255111 440710404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221391 C[C@@]1(N=C(N)SCC11CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O3S/c1-20(21(4-6-30-7-5-21)11-32-19(24)28-20)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)31-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 WFVMDJXIYGUERD-HXUWFJFHSA-N 50501818 CHEMBL4583340 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155565975 440710403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221395 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 MKQFGRIUTNJQSW-SFHVURJKSA-N 50501811 CHEMBL4535964 Beta-secretase 1 Homo sapiens 0.930000 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25115954 440710396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221396 CO[C@H]1CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H19F2N5O3S/c1-18(14(27-2)8-29-17(21)25-18)11-5-10(3-4-12(11)20)24-16(26)13-6-23-15(7-22-13)28-9-19/h3-7,14H,8-9H2,1-2H3,(H2,21,25)(H,24,26)/t14-,18+/m0/s1 MUPBDTQMTBLIBE-KBXCAEBGSA-N 50501812 CHEMBL4451133 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155522051 440710397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221397 C[C@@]1(N=C(N)SCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O2S/c1-18(19(7-20(23,24)8-19)9-32-17(25)29-18)12-4-11(2-3-13(12)22)28-16(30)14-5-27-15(6-26-14)31-10-21/h2-6H,7-10H2,1H3,(H2,25,29)(H,28,30)/t18-/m1/s1 NHIZASHNRARLRK-GOSISDBHSA-N 50501814 CHEMBL4592239 Beta-secretase 1 Homo sapiens 1.2 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126693231 440710399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221398 C[C@@]1(N=C(N)SCC11CCS(=O)(=O)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 DZTJZUAOGBUBNK-HXUWFJFHSA-N 50501808 CHEMBL4465534 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C7O 6JSZ,6JSN 138454796 440710393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51221399 C[C@@]1(N=C(N)SCC11CCC(F)(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H23F4N5O2S/c1-20(21(11-34-19(27)31-20)4-6-22(25,26)7-5-21)14-8-13(2-3-15(14)24)30-18(32)16-9-29-17(10-28-16)33-12-23/h2-3,8-10H,4-7,11-12H2,1H3,(H2,27,31)(H,30,32)/t20-/m1/s1 KQYDNWCBVYLWOX-HXUWFJFHSA-N 50501810 CHEMBL4443968 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.9b00309 10.7270/Q22J6G35 31021626 Fujimoto, K; Matsuoka, E; Asada, N; Tadano, G; Yamamoto, T; Nakahara, K; Fuchino, K; Ito, H; Kanegawa, N; Moechars, D; Gijsen, HJM; Kusakabe, KI TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155516667 440710395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917064 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13+,16+/m0/s1 DMEDVHXVIZMNTO-OWRWGESLSA-N 448194 US10689401, EX 1::US11008338, Example 1 Beta-secretase 1 Homo sapiens 363 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406873 440710205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917066 C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13-,16-/m1/s1 DMEDVHXVIZMNTO-CKUKBARFSA-N 448195 US10689401, EX 2::US11008338, Example 2 Beta-secretase 1 Homo sapiens 10000 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406936 440710206 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917068 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Br)ccc1F InChI=1S/C16H20BrFN2O3S/c1-9-6-13-16(8-23-9,11-7-10(17)4-5-12(11)18)20-14(19)15(2,3)24(13,21)22/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,20)/t9-,13+,16+/m0/s1 PWHVSROCXLHTFE-LQBHMHGISA-N 448196 US10689401, EX 3::US11008338, Example 3 Beta-secretase 1 Homo sapiens 1207 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406872 440710207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917070 CC(C)COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C20H29FN2O4S/c1-12(2)10-26-14-6-7-16(21)15(9-14)20-11-27-13(3)8-17(20)28(24,25)19(4,5)18(22)23-20/h6-7,9,12-13,17H,8,10-11H2,1-5H3,(H2,22,23)/t13-,17+,20+/m0/s1 QUQKAGGARNDCIR-WSXQUGQNSA-N 448197 US10689401, EX 4::US11008338, Example 4 Beta-secretase 1 Homo sapiens 354 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406939 440710208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917072 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C21H23F2N3O4S/c1-12-9-17-21(11-29-12,26-19(24)20(2,3)31(17,27)28)14-10-13(6-7-15(14)22)30-18-16(23)5-4-8-25-18/h4-8,10,12,17H,9,11H2,1-3H3,(H2,24,26)/t12-,17+,21+/m0/s1 NUTYXXXZWVAGHN-LKNMKHRSSA-N 448199 US10689401, EX 5::US11008338, Example 5 Beta-secretase 1 Homo sapiens 17.5 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406870 440710210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917074 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C22H23FN4O4S/c1-13-8-18-22(12-30-13,27-20(25)21(2,3)32(18,28)29)16-10-15(4-5-17(16)23)31-19-9-14(11-24)6-7-26-19/h4-7,9-10,13,18H,8,12H2,1-3H3,(H2,25,27)/t13-,18+,22+/m0/s1 IJEGIKZGGLFERE-PFDOBSCMSA-N 448202 US10689401, EX 6 Beta-secretase 1 Homo sapiens 23.6 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406883 440710213 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917076 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C21H22F3N3O4S/c1-11-6-17-21(10-30-11,27-19(25)20(2,3)32(17,28)29)14-8-13(4-5-15(14)23)31-18-16(24)7-12(22)9-26-18/h4-5,7-9,11,17H,6,10H2,1-3H3,(H2,25,27)/t11-,17+,21+/m0/s1 SDKJCGRZSMGSBT-PPJNFFCYSA-N 448203 US10689401, EX 7::US11008338, Example 7 Beta-secretase 1 Homo sapiens 53.6 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406927 440710214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917078 C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17-,20-/m1/s1 SGIXEMDUXNNPQL-WYAVIUHXSA-N 448204 US10689401, EX 8::US11008338, Example 8 Beta-secretase 1 Homo sapiens 4481 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448204&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406906 440710215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917080 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17+,20+/m0/s1 SGIXEMDUXNNPQL-LCIZUOBNSA-N 448205 US10689401, EX 9::US11008338, Example 9 Beta-secretase 1 Homo sapiens 94.2 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406935 440710216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917082 COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14+,17+/m0/s1 QVNIHLNCRLCQBA-NCAQKEMTSA-N 448206 US10689401, EX 10::US11008338, Example 10 Beta-secretase 1 Homo sapiens 681 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406940 440710217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917084 COc1ccc(F)c(c1)[C@]12CO[C@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14-,17-/m1/s1 QVNIHLNCRLCQBA-LGFNAOKASA-N 448207 US10689401, EX 11::US11008338, Example 11 Beta-secretase 1 Homo sapiens 10000 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406932 440710218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917086 COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)c1ccc(F)cc1 InChI=1S/C22H24F2N2O4S/c1-21(2)20(25)26-22(16-10-15(29-3)8-9-17(16)24)12-30-18(11-19(22)31(21,27)28)13-4-6-14(23)7-5-13/h4-10,18-19H,11-12H2,1-3H3,(H2,25,26)/t18-,19-,22-/m1/s1 QHXIKGDWSQXRCG-WOIUINJBSA-N 448208 US10689401, EX 12::US11008338, Example 12 Beta-secretase 1 Homo sapiens 184 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406933 440710219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917088 CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F InChI=1S/C25H28F2N2O4S/c1-24(2)23(28)29-25(19-11-18(9-10-20(19)27)32-13-15-3-4-15)14-33-21(12-22(25)34(24,30)31)16-5-7-17(26)8-6-16/h5-11,15,21-22H,3-4,12-14H2,1-2H3,(H2,28,29)/t21-,22-,25-/m1/s1 IUWNLGMMWSCZQJ-TZBSWOFLSA-N 448209 US10689401, EX 13::US11008338, Example 13 Beta-secretase 1 Homo sapiens 115 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419350 440710220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917090 CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1 AHJOKRHJPSGPFR-XLGIIRLISA-N 448210 US10689401, EX 14::US11008338, Example 14 Beta-secretase 1 Homo sapiens 3.90 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130303031 440710221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917092 CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C27H24F2N4O4S/c1-26(2)25(31)33-27(15-36-22(13-23(27)38(26,34)35)17-3-5-18(28)6-4-17)20-12-19(7-8-21(20)29)37-24-11-16(14-30)9-10-32-24/h3-12,22-23H,13,15H2,1-2H3,(H2,31,33)/t22-,23-,27-/m1/s1 NLARUVVSXLNQML-AZSVPQILSA-N 448211 US10689401, EX 15 Beta-secretase 1 Homo sapiens 17.9 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406903 440710222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917094 COc1ccc(F)c(c1)[C@]12CO[C@@H](CO)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C17H23FN2O5S/c1-16(2)15(19)20-17(12-6-10(24-3)4-5-13(12)18)9-25-11(8-21)7-14(17)26(16,22)23/h4-6,11,14,21H,7-9H2,1-3H3,(H2,19,20)/t11-,14-,17-/m1/s1 GBUJBBUXZUVCEF-JDSLSITLSA-N 448212 US10689401, EX 16::US11008338, Example 16 Beta-secretase 1 Homo sapiens 2861 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406937 440710223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917096 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C17H23FN2O3S/c1-15(2)9-13-17(10-23-15,11-7-5-6-8-12(11)18)20-14(19)16(3,4)24(13,21)22/h5-8,13H,9-10H2,1-4H3,(H2,19,20)/t13-,17-/m1/s1 HNBPJKODDGJDLI-CXAGYDPISA-N 448214 US10689401, EX 17::US11008338, Example 17 Beta-secretase 1 Homo sapiens 300 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406905 440710225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917098 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C22H25F2N3O4S/c1-20(2)11-17-22(12-30-20,27-19(25)21(3,4)32(17,28)29)14-10-13(7-8-15(14)23)31-18-16(24)6-5-9-26-18/h5-10,17H,11-12H2,1-4H3,(H2,25,27)/t17-,22-/m1/s1 AWNVVJFOKZAZSC-VGOFRKELSA-N 448215 US10689401, EX 18::US11008338, Example 18 Beta-secretase 1 Homo sapiens 22.4 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419196 440710226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917100 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F InChI=1S/C23H25FN4O4S/c1-21(2)11-18-23(13-31-21,28-20(26)22(3,4)33(18,29)30)16-10-15(5-6-17(16)24)32-19-9-14(12-25)7-8-27-19/h5-10,18H,11,13H2,1-4H3,(H2,26,28)/t18-,23-/m1/s1 OFAXBKOSZSBJLJ-WZONZLPQSA-N 448217 US10689401, EX 19 Beta-secretase 1 Homo sapiens 33.8 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406886 440710228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917102 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-18-16(25)7-12(23)10-27-18/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1 VNRVMHBCWPYCJV-VGOFRKELSA-N 448218 US10689401, EX 20::US11008338, Example 20 Beta-secretase 1 Homo sapiens 53.2 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419188 440710229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917104 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-16-7-12(23)10-27-18(16)25/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1 PQHKPNMCPHYYOU-VGOFRKELSA-N 448219 US10689401, EX 21::US11008338, Example 21 Beta-secretase 1 Homo sapiens 9.70 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419186 440710230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917106 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C21H29FN2O4S/c1-19(2)10-17-21(12-28-19,24-18(23)20(3,4)29(17,25)26)15-9-14(7-8-16(15)22)27-11-13-5-6-13/h7-9,13,17H,5-6,10-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1 WCIHGKODJJUKIZ-DYESRHJHSA-N 448220 US10689401, EX 22::US11008338, Example 22 Beta-secretase 1 Homo sapiens 120 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419187 440710231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917108 CC(C)COc1ccc(F)c(c1)[C@]12COC(C)(C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C21H31FN2O4S/c1-13(2)11-27-14-7-8-16(22)15(9-14)21-12-28-19(3,4)10-17(21)29(25,26)20(5,6)18(23)24-21/h7-9,13,17H,10-12H2,1-6H3,(H2,23,24)/t17-,21-/m1/s1 HLHFHJHBERJEIK-DYESRHJHSA-N 448221 US10689401, EX 23::US11008338, Example 23 Beta-secretase 1 Homo sapiens 172 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419199 440710232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917110 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OC2CCC2)ccc1F InChI=1S/C21H29FN2O4S/c1-19(2)11-17-21(12-27-19,24-18(23)20(3,4)29(17,25)26)15-10-14(8-9-16(15)22)28-13-6-5-7-13/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1 WWOMLEHPHXLZHM-DYESRHJHSA-N 448222 US10689401, EX 24::US11008338, Example 24 Beta-secretase 1 Homo sapiens 183 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419198 440710233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 917112 CC(C)[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C18H25FN2O3S/c1-11(2)14-9-15-18(10-24-14,12-7-5-6-8-13(12)19)21-16(20)17(3,4)25(15,22)23/h5-8,11,14-15H,9-10H2,1-4H3,(H2,20,21)/t14-,15-,18-/m1/s1 OQFPZOUKNLLKGE-IIDMSEBBSA-N 448223 US10689401, EX 25::US11008338, Example 25 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q2N87DS6 aid1804513 US10689401 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406929 440710234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51273693 C(CN1CCC(CC1)C(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)C1 InChI=1S/C31H39N3/c1-4-10-26(11-5-1)24-34-22-18-30(25-34)32-19-23-33-20-16-29(17-21-33)31(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,29-32H,16-25H2 XCDJABSYFGWXPU-UHFFFAOYSA-N 50519864 CHEMBL4548789 Beta-secretase 1 Homo sapiens 49800 ChEMBL 10.1016/j.ejmech.2019.111916 10.7270/Q2639T4N 31812794 Wichur, T; Więckowska, A; Więckowski, K; Godyń, J; Jończyk, J; Valdivieso, ÁDR; Panek, D; Pasieka, A; Sabaté, R; Knez, D; Gobec, S; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50519864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50519864&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155548892 440728446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51273694 O=C(CN1CCC(CC1)C(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)C1 InChI=1S/C31H37N3O/c35-30(32-29-18-21-34(23-29)22-25-10-4-1-5-11-25)24-33-19-16-28(17-20-33)31(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,28-29,31H,16-24H2,(H,32,35) VMIYWDDTUMFMSY-UHFFFAOYSA-N 50519865 CHEMBL4516189 Beta-secretase 1 Homo sapiens 55200 ChEMBL 10.1016/j.ejmech.2019.111916 10.7270/Q2639T4N 31812794 Wichur, T; Więckowska, A; Więckowski, K; Godyń, J; Jończyk, J; Valdivieso, ÁDR; Panek, D; Pasieka, A; Sabaté, R; Knez, D; Gobec, S; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50519865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50519865&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155540237 440728447 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51273699 Cc1c(OCc2ccccc2)cccc1N1CCN(CC(=O)NC2CCN(Cc3ccccc3)C2)CC1 InChI=1S/C31H38N4O2/c1-25-29(13-8-14-30(25)37-24-27-11-6-3-7-12-27)35-19-17-33(18-20-35)23-31(36)32-28-15-16-34(22-28)21-26-9-4-2-5-10-26/h2-14,28H,15-24H2,1H3,(H,32,36) PVTOPRSOMIQYRX-UHFFFAOYSA-N 50519870 CHEMBL4582631 Beta-secretase 1 Homo sapiens 33000 ChEMBL 10.1016/j.ejmech.2019.111916 10.7270/Q2639T4N 31812794 Wichur, T; Więckowska, A; Więckowski, K; Godyń, J; Jończyk, J; Valdivieso, ÁDR; Panek, D; Pasieka, A; Sabaté, R; Knez, D; Gobec, S; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50519870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50519870&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155557894 440728452 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51273705 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.ejmech.2019.111916 10.7270/Q2639T4N 31812794 Wichur, T; Więckowska, A; Więckowski, K; Godyń, J; Jończyk, J; Valdivieso, ÁDR; Panek, D; Pasieka, A; Sabaté, R; Knez, D; Gobec, S; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51277426 O=c1[nH]c2[nH]ccc2c(=O)[nH]1 InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11) HASUWNAFLUMMFI-UHFFFAOYSA-N 50134399 1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione::7-Deazaxanthine (7DX)::7-deazaxanthine::CHEMBL122899 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1016/j.ejmech.2019.02.076 10.7270/Q2MS3X47 30884327 Wang, T; Liu, XH; Guan, J; Ge, S; Wu, MB; Lin, JP; Yang, LR Jining Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134399&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11819216 104024993 CHEMBL122899 ZINC89221611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51286584 Nc1nc2ncccc2[nH]1 InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10) KXQPVJRJUJJWQJ-UHFFFAOYSA-N 50524488 CHEMBL4589188 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2019.04.037 10.7270/Q2PN991Z 31077996 Wiedmer, L; Schärer, C; Spiliotopoulos, D; Hürzeler, M; Śledź, P; Caflisch, A University of Zurich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524488&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BU8 6EQ2,6GLM,6GLH,6GLG,6GLU,6GLQ,6GLP,6GLL 179897 440733070 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51286591 Nc1nc2c(ccnc2[nH]1)-c1ccncc1F InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17) AYORLAGKWMLGEX-UHFFFAOYSA-N 50524490 CHEMBL4561244 Beta-secretase 1 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2019.04.037 10.7270/Q2PN991Z 31077996 Wiedmer, L; Schärer, C; Spiliotopoulos, D; Hürzeler, M; Śledź, P; Caflisch, A University of Zurich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524490&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134822016 440733072 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51277124 COc1ncc(Cc2c(C)noc2C)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C24H24F2N4O2S/c1-12-17(13(2)32-30-12)6-14-10-28-22(31-3)19-9-24(20-5-4-16(25)8-21(20)26)15(7-18(14)19)11-33-23(27)29-24/h4-5,8,10,15H,6-7,9,11H2,1-3H3,(H2,27,29)/t15-,24-/m0/s1 WDOXRAVWGMXDFC-OWJWWREXSA-N 50521247 CHEMBL4520734 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.1021/acsmedchemlett.8b00545 10.7270/Q2F76GZP 30655936 Blass, BE Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155542315 440729829 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51277126 COc1ccc(Cc2cnc(OC)c3C[C@@]4(N=C(N)SC[C@@H]4Cc23)c2ccc(F)cc2F)cc1 InChI=1S/C26H25F2N3O2S/c1-32-19-6-3-15(4-7-19)9-16-13-30-24(33-2)21-12-26(22-8-5-18(27)11-23(22)28)17(10-20(16)21)14-34-25(29)31-26/h3-8,11,13,17H,9-10,12,14H2,1-2H3,(H2,29,31)/t17-,26-/m0/s1 XFIBJZIUSNOOSS-QLXKLKPCSA-N 50521246 CHEMBL4526561 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1021/acsmedchemlett.8b00545 10.7270/Q2F76GZP 30655936 Blass, BE Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154031827 440729828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51277128 COc1ncc(Cc2c(C)cccc2C)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C27H27F2N3OS/c1-15-5-4-6-16(2)20(15)9-17-13-31-25(33-3)22-12-27(23-8-7-19(28)11-24(23)29)18(10-21(17)22)14-34-26(30)32-27/h4-8,11,13,18H,9-10,12,14H2,1-3H3,(H2,30,32)/t18-,27-/m0/s1 WVRKURQZXYBXNI-MYUZEXMDSA-N 50521248 CHEMBL4549145 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/acsmedchemlett.8b00545 10.7270/Q2F76GZP 30655936 Blass, BE Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155548834 440729830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51277130 COc1ncc(CC2CCOCC2)c2C[C@H]3CSC(N)=N[C@]3(Cc12)c1ccc(F)cc1F InChI=1S/C24H27F2N3O2S/c1-30-22-19-11-24(20-3-2-17(25)10-21(20)26)16(13-32-23(27)29-24)9-18(19)15(12-28-22)8-14-4-6-31-7-5-14/h2-3,10,12,14,16H,4-9,11,13H2,1H3,(H2,27,29)/t16-,24-/m0/s1 HOIGPFAVELSPMQ-FYSMJZIKSA-N 50510815 CHEMBL4530208 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acsmedchemlett.8b00545 10.7270/Q2F76GZP 30655936 Blass, BE Temple University School of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154031826 440719397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318926 C[C@]1(C[C@H](SC(N)=N1)c1cncnc1)c1ccc(F)cc1F InChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1 AHFBBIPUKVCJEP-ZFWWWQNUSA-N 50533755 CHEMBL4444341 Beta-secretase 1 Homo sapiens 310 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6WD 5KQF 90253396 440742337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318927 Cc1nocc1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C15H15F2N3OS/c1-8-10(7-21-20-8)13-6-15(2,19-14(18)22-13)11-4-3-9(16)5-12(11)17/h3-5,7,13H,6H2,1-2H3,(H2,18,19)/t13-,15-/m0/s1 JPVJYQYPHVNRRF-ZFWWWQNUSA-N 50533756 CHEMBL4578085 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 75593273 440742338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318928 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1 InChI=1S/C16H18FN3OS/c1-9-14(10(2)21-20-9)13-8-16(3,19-15(18)22-13)11-4-6-12(17)7-5-11/h4-7,13H,8H2,1-3H3,(H2,18,19)/t13-,16-/m0/s1 FPSHMYZLWGHMSY-BBRMVZONSA-N 50533757 CHEMBL4593386 Beta-secretase 1 Homo sapiens 600 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 118513484 440742339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318929 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1sccc1Cl InChI=1S/C14H16ClN3OS2/c1-7-11(8(2)19-18-7)10-6-14(3,17-13(16)21-10)12-9(15)4-5-20-12/h4-5,10H,6H2,1-3H3,(H2,16,17)/t10-,14-/m0/s1 PDCWPTMYTUVZQA-HZMBPMFUSA-N 50533758 CHEMBL4527268 Beta-secretase 1 Homo sapiens 300 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155544704 440742340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318930 Cn1nccc1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C15H16F2N4S/c1-15(10-4-3-9(16)7-11(10)17)8-13(22-14(18)20-15)12-5-6-19-21(12)2/h3-7,13H,8H2,1-2H3,(H2,18,20)/t13-,15-/m0/s1 AQTZKSPPMGVOHN-ZFWWWQNUSA-N 50533759 CHEMBL4457091 Beta-secretase 1 Homo sapiens 350 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90253370 440742341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318931 CCc1noc(CC)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C18H21F2N3OS/c1-4-13-16(14(5-2)24-23-13)15-9-18(3,22-17(21)25-15)11-7-6-10(19)8-12(11)20/h6-8,15H,4-5,9H2,1-3H3,(H2,21,22)/t15-,18-/m0/s1 ZLDZLGIETAXADT-YJBOKZPZSA-N 50533760 CHEMBL4552231 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155555473 440742342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318932 Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccccc1 InChI=1S/C21H19F2N3OS/c1-12-18(19(26-27-12)13-6-4-3-5-7-13)17-11-21(2,25-20(24)28-17)15-9-8-14(22)10-16(15)23/h3-10,17H,11H2,1-2H3,(H2,24,25)/t17-,21-/m0/s1 BWFBSDSDXRHTPM-UWJYYQICSA-N 50533761 CHEMBL4585811 Beta-secretase 1 Homo sapiens 160 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155566956 440742343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318933 Cc1noc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccccc1 InChI=1S/C21H19F2N3OS/c1-12-18(19(27-26-12)13-6-4-3-5-7-13)17-11-21(2,25-20(24)28-17)15-9-8-14(22)10-16(15)23/h3-10,17H,11H2,1-2H3,(H2,24,25)/t17-,21-/m0/s1 MUNVXFPJYKCLOT-UWJYYQICSA-N 50533762 CHEMBL4542470 Beta-secretase 1 Homo sapiens 230 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155551378 440742344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318934 Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1cccnc1 InChI=1S/C20H18F2N4OS/c1-11-17(18(26-27-11)12-4-3-7-24-10-12)16-9-20(2,25-19(23)28-16)14-6-5-13(21)8-15(14)22/h3-8,10,16H,9H2,1-2H3,(H2,23,25)/t16-,20-/m0/s1 VLPSLYZWKLZFLW-JXFKEZNVSA-N 50533763 CHEMBL4437720 Beta-secretase 1 Homo sapiens 180 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155512711 440742345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318938 C[C@]1(CCSC(N)=N1)c1ccccc1 InChI=1S/C11H14N2S/c1-11(7-8-14-10(12)13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13)/t11-/m0/s1 JLGLPAHFIFVDIC-NSHDSACASA-N 50012631 CHEMBL2396987 Beta-secretase 1 Homo sapiens 22000 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012631&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 59374749 103924884 CHEMBL2396987 ZINC29466280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318939 Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccc(F)cc1 InChI=1S/C21H18F3N3OS/c1-11-18(19(27-28-11)12-3-5-13(22)6-4-12)17-10-21(2,26-20(25)29-17)15-8-7-14(23)9-16(15)24/h3-9,17H,10H2,1-2H3,(H2,25,26)/t17-,21-/m0/s1 RYMBQNGWRCVRMM-UWJYYQICSA-N 50533764 CHEMBL4449108 Beta-secretase 1 Homo sapiens 320 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155520405 440742346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318940 Cc1noc(C(F)F)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C16H15F4N3OS/c1-7-12(13(14(19)20)24-23-7)11-6-16(2,22-15(21)25-11)9-4-3-8(17)5-10(9)18/h3-5,11,14H,6H2,1-2H3,(H2,21,22)/t11-,16-/m0/s1 UAOVZEVSVJFRHT-ZBEGNZNMSA-N 50533765 CHEMBL4454975 Beta-secretase 1 Homo sapiens 420 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155523671 440742347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318941 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C16H17F2N3OS/c1-8-14(9(2)22-21-8)13-7-16(3,20-15(19)23-13)11-5-4-10(17)6-12(11)18/h4-6,13H,7H2,1-3H3,(H2,19,20)/t13-,16-/m0/s1 XCTPNVXKKHOANI-BBRMVZONSA-N 50533766 CHEMBL4551234 Beta-secretase 1 Homo sapiens 150 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6WE 5KR8 90253397 440742348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318942 CCc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F InChI=1S/C17H19F2N3OS/c1-4-13-15(9(2)23-22-13)14-8-17(3,21-16(20)24-14)11-6-5-10(18)7-12(11)19/h5-7,14H,4,8H2,1-3H3,(H2,20,21)/t14-,17-/m0/s1 JTOVNNJAPHFIQX-YOEHRIQHSA-N 50533767 CHEMBL4589121 Beta-secretase 1 Homo sapiens 250 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155567906 440742349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318943 Cc1noc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccc(F)cc1 InChI=1S/C21H18F3N3OS/c1-11-18(19(28-27-11)12-3-5-13(22)6-4-12)17-10-21(2,26-20(25)29-17)15-8-7-14(23)9-16(15)24/h3-9,17H,10H2,1-2H3,(H2,25,26)/t17-,21-/m0/s1 MSOZKIYEHOFBRD-UWJYYQICSA-N 50533768 CHEMBL4554426 Beta-secretase 1 Homo sapiens 410 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155556223 440742350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51318945 Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccccc1 InChI=1S/C16H19N3OS/c1-10-14(11(2)20-19-10)13-9-16(3,18-15(17)21-13)12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3,(H2,17,18)/t13-,16-/m0/s1 PWMAAOXLSVJXLA-BBRMVZONSA-N 50533769 CHEMBL4574888 Beta-secretase 1 Homo sapiens 480 ChEMBL 10.1021/acs.jmedchem.6b01012 10.7270/Q2028W1J 27559936 Wu, YJ; Guernon, J; Shi, J; Marcin, L; Higgins, M; Rajamani, R; Muckelbauer, J; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155561129 440742351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322787 C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1 InChI=1S/C19H24N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2 ZZWIYXVNVZCOSL-UHFFFAOYSA-N 50535272 CHEMBL4453051 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 74721 440743854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322788 FC(F)(F)Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H23F3N2O/c21-20(22,23)26-19-8-6-16(7-9-19)14-24-18-10-12-25(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,24H,10-15H2 AYNXCVSHNGEPCV-UHFFFAOYSA-N 50535273 CHEMBL4587156 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155566392 440743855 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322790 Cc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H24N2/c1-17-7-9-18(10-8-17)15-21-20-11-13-22(14-12-20)16-19-5-3-2-4-6-19/h2-10,15,20H,11-14,16H2,1H3/b21-15+ RPRMFIFIXJKQNV-RCCKNPSSSA-N 50535274 CHEMBL4566555 Beta-secretase 1 Homo sapiens 19000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155560920 440743856 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322824 COc1cccc(\C=N\C2CCN(Cc3ccccc3)CC2)c1OC InChI=1S/C21H26N2O2/c1-24-20-10-6-9-18(21(20)25-2)15-22-19-11-13-23(14-12-19)16-17-7-4-3-5-8-17/h3-10,15,19H,11-14,16H2,1-2H3/b22-15+ GGLDJGOCUBPSEY-PXLXIMEGSA-N 50535290 CHEMBL4444849 Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2742082 440743872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322825 C(N1CCC(CC1)\N=C\c1ccccc1)c1ccccc1 InChI=1S/C19H22N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2/b20-15+ VVQPLYAHXAZPHF-HMMYKYKNSA-N 50535285 CHEMBL4537808 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155548223 440743867 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322826 Oc1ccccc1\C=N\C1CCN(Cc2ccccc2)CC1 InChI=1S/C19H22N2O/c22-19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,14,18,22H,10-13,15H2/b20-14+ FMRVKMBYBQMTPS-XSFVSMFZSA-N 50535284 CHEMBL4467620 Beta-secretase 1 Homo sapiens 2700 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135595416 440743866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322827 Oc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H22N2O/c22-19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18,22H,10-13,15H2/b20-14+ MMNQEFJTQDLXSH-XSFVSMFZSA-N 50535283 CHEMBL4454571 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155524198 440743865 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322828 Oc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)c(O)c1 InChI=1S/C19H22N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17,22-23H,8-11,14H2/b20-13+ NGERANTYJBWJKM-DEDYPNTBSA-N 50535282 CHEMBL4556855 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155556840 440743864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322829 [O-][N+](=O)c1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H21N3O2/c23-22(24)19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b20-14+ COVOFUSTFFLTKA-XSFVSMFZSA-N 50535269 CHEMBL4452092 Beta-secretase 1 Homo sapiens 730 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155521756 440743851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322830 FC(F)(F)c1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H21F3N2/c21-20(22,23)18-8-6-16(7-9-18)14-24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b24-14+ AXJYQEFCPXMBGY-ZVHZXABRSA-N 50535289 CHEMBL4575167 Beta-secretase 1 Homo sapiens 280 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155561050 440743871 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322831 Clc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)c(Cl)c1 InChI=1S/C19H20Cl2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2/b22-13+ KKXQSDTWYAMGIF-LPYMAVHISA-N 50535291 CHEMBL4568264 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155560420 440743873 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322832 Fc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H21FN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b21-14+ UUWGJQGTYROTGL-KGENOOAVSA-N 50535279 CHEMBL4518938 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155541480 440743861 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322833 Fc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)c(F)c1 InChI=1S/C19H20F2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2/b22-13+ ANHVBBGBJUVDKT-LPYMAVHISA-N 50535278 CHEMBL4568615 Beta-secretase 1 Homo sapiens 3500 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155560617 440743860 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322834 COc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC InChI=1S/C22H30N2O3/c1-25-20-13-18(14-21(26-2)22(20)27-3)15-23-19-9-11-24(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19,23H,9-12,15-16H2,1-3H3 CSEFTIOVIZHTNF-UHFFFAOYSA-N 50535268 CHEMBL4591283 Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17159244 440743850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322835 Oc1ccccc1CNC1CCN(Cc2ccccc2)CC1 InChI=1S/C19H24N2O/c22-19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20,22H,10-15H2 PEZATUMKVOFZTR-UHFFFAOYSA-N 50535292 CHEMBL4447514 Beta-secretase 1 Homo sapiens 2000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4792504 440743874 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322836 Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1 InChI=1S/C19H24N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2 DWFUTZFPGPEXNL-UHFFFAOYSA-N 50535276 CHEMBL4443013 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 83453608 440743858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322837 [O-][N+](=O)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H23N3O2/c23-22(24)19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20H,10-15H2 KYNUDYSVLRIHRE-UHFFFAOYSA-N 50535293 CHEMBL4442580 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17159252 440743875 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322838 Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2 NQBDQXKOFMTXFA-UHFFFAOYSA-N 65867 (1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine::1-benzyl-N-(4-chlorobenzyl)-4-piperidinamine::1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine::MLS000974662::N-[(4-chlorophenyl)methyl]-1-(phenylmethyl)-4-piperidinamine::N-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-amine::SMR000496472::cid_784405 Beta-secretase 1 Homo sapiens 660 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=65867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=65867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 784405 252644202 ZINC55292598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322839 Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1 InChI=1S/C19H22Cl2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12,18,22H,8-11,13-14H2 SNVYJMWDDMTGPN-UHFFFAOYSA-N 50250251 CHEMBL4091169 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17159064 401961984 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322840 Fc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H23FN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2 WUVQDFKBUGKFCX-UHFFFAOYSA-N 50535267 CHEMBL1424080 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 784043 440743849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322841 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 8960 (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one::2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one::Aricept::Aricept odt::CHEMBL1678::CHEMBL2337271::CHEMBL502::DONEPEZIL HYDROCHLORIDE::Donepezil::Donepzil::E2020::US8999994, Donepezil::US9346818, DPH::US9586925, Donepezil::US9663465, Donepezil Beta-secretase 1 Homo sapiens 240 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E20 1EVE,4EY7,7E3H,6O4W 3152 46509735 53289 CHEMBL502CHEMBL1678CHEMBL2337271 DB00843 6599 ZINC00897251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322854 FC(F)(F)Oc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H21F3N2O/c21-20(22,23)26-19-8-6-16(7-9-19)14-24-18-10-12-25(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b24-14+ QOHKCTPBTRSARF-ZVHZXABRSA-N 50535281 CHEMBL4449445 Beta-secretase 1 Homo sapiens 1800 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155520717 440743863 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322855 Cc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1 InChI=1S/C20H26N2/c1-17-6-5-9-19(14-17)15-21-20-10-12-22(13-11-20)16-18-7-3-2-4-8-18/h2-9,14,20-21H,10-13,15-16H2,1H3 YWXGLRXKEHBFPE-UHFFFAOYSA-N 50535275 CHEMBL4458653 Beta-secretase 1 Homo sapiens 2600 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43824597 440743857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322856 Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H26N2/c1-17-7-9-18(10-8-17)15-21-20-11-13-22(14-12-20)16-19-5-3-2-4-6-19/h2-10,20-21H,11-16H2,1H3 KPAHTAFRNBMJNE-UHFFFAOYSA-N 50535288 CHEMBL4444968 Beta-secretase 1 Homo sapiens 17000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 12146686 440743870 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322869 COc1cc(\C=N\C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC InChI=1S/C22H28N2O3/c1-25-20-13-18(14-21(26-2)22(20)27-3)15-23-19-9-11-24(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-15,19H,9-12,16H2,1-3H3/b23-15+ PGRXDAFKGOWHNM-HZHRSRAPSA-N 50535294 CHEMBL4440283 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155514519 440743876 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322870 Cc1cccc(\C=N\C2CCN(Cc3ccccc3)CC2)c1 InChI=1S/C20H24N2/c1-17-6-5-9-19(14-17)15-21-20-10-12-22(13-11-20)16-18-7-3-2-4-8-18/h2-9,14-15,20H,10-13,16H2,1H3/b21-15+ BHNQBVWKORTAEW-RCCKNPSSSA-N 50535271 CHEMBL4566242 Beta-secretase 1 Homo sapiens 3300 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155561118 440743853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322871 Clc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H21ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b21-14+ ZCUFEVHIUABIOG-KGENOOAVSA-N 50535280 CHEMBL4526950 Beta-secretase 1 Homo sapiens 1700 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155544490 440743862 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322872 COc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1OC InChI=1S/C21H28N2O2/c1-24-20-10-6-9-18(21(20)25-2)15-22-19-11-13-23(14-12-19)16-17-7-4-3-5-8-17/h3-10,19,22H,11-16H2,1-2H3 VOWMHOISFVDLCZ-UHFFFAOYSA-N 50535270 CHEMBL4435826 Beta-secretase 1 Homo sapiens 5300 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17159212 440743852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322873 Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C19H24N2O/c22-19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20,22H,10-15H2 KWYMUFDXOHWFJH-UHFFFAOYSA-N 50535277 CHEMBL4561792 Beta-secretase 1 Homo sapiens 9900 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4789430 440743859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322874 FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H23F3N2/c21-20(22,23)18-8-6-16(7-9-18)14-24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,24H,10-15H2 KAYKWKOWEOGULE-UHFFFAOYSA-N 50535287 CHEMBL4583534 Beta-secretase 1 Homo sapiens 220 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535287&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4846969 440743869 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51322875 Fc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(F)c1 InChI=1S/C19H22F2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12,18,22H,8-11,13-14H2 RWRXVWVTDMVZPB-UHFFFAOYSA-N 50535286 CHEMBL4443695 Beta-secretase 1 Homo sapiens 2900 ChEMBL 10.1016/j.ejmech.2019.02.030 10.7270/Q2JD5192 30784883 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155516698 440743868 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51289207 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C InChI=1S/C31H43F2N3O4/c1-6-11-36(12-7-2)31(40)24-10-8-9-23(17-24)30(39)35-27(16-22-14-25(32)18-26(33)15-22)28(37)13-21(5)29(38)34-19-20(3)4/h8-10,14-15,17-18,20-21,27-28,37H,6-7,11-13,16,19H2,1-5H3,(H,34,38)(H,35,39)/t21-,27+,28+/m1/s1 XVGVQHKKBOYQOC-MHWRTBLVSA-N 15790 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL42908::Hydroxyethylene-Based Peptidomimetic Inhibitor, 20::hydroxyethylene (HE) Inhibitor 1 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2019.07.033 10.7270/Q21J9F6X 31377035 Sun, S; Jia, Q; Zhang, Z Xenon Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918716 46516077 CHEMBL42908 ZINC14959542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51289211 COC(=O)[C@H]1C[C@H](C[C@H](C1)C(=O)OC)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(C)C InChI=1S/C40H47F2N3O9/c1-22(2)35(37(49)43-29-18-25(39(51)53-3)17-26(19-29)40(52)54-4)45-34(47)21-33(46)32(16-23-14-27(41)20-28(42)15-23)44-38(50)36(48)31-13-9-8-12-30(31)24-10-6-5-7-11-24/h5-15,20,22,25-26,29,32-33,35-36,46,48H,16-19,21H2,1-4H3,(H,43,49)(H,44,50)(H,45,47)/t25-,26+,29-,32-,33-,35-,36?/m0/s1 GHUQZSZCASQUOS-FIPMVJOWSA-N 50525576 CHEMBL4556276 Beta-secretase 1 Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2019.07.033 10.7270/Q21J9F6X 31377035 Sun, S; Jia, Q; Zhang, Z Xenon Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50525576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50525576&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 6918701 440734158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283379 CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C21H24F3N3O/c1-27(2)17-9-3-14(4-10-17)11-26-20(28)19-13-25-12-18(19)15-5-7-16(8-6-15)21(22,23)24/h3-10,18-19,25H,11-13H2,1-2H3,(H,26,28)/t18-,19+/m1/s1 JIISCSXXHZUICM-MOPGFXCFSA-N 50523408 CHEMBL4435264 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523408&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155510888 440731990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283380 CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(Cl)c2)C(F)(F)F)cc1 InChI=1S/C21H23ClF3N3O/c1-28(2)15-6-3-13(4-7-15)10-27-20(29)17-12-26-11-16(17)14-5-8-18(19(22)9-14)21(23,24)25/h3-9,16-17,26H,10-12H2,1-2H3,(H,27,29)/t16-,17+/m0/s1 ZOCBKLKCLNCENK-DLBZAZTESA-N 50523412 CHEMBL4567098 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523412&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155543895 440731994 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283381 CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 InChI=1S/C26H29N3O2/c1-29(2)21-12-8-19(9-13-21)16-28-26(30)25-18-27-17-24(25)20-10-14-23(15-11-20)31-22-6-4-3-5-7-22/h3-15,24-25,27H,16-18H2,1-2H3,(H,28,30)/t24-,25+/m0/s1 GWQNUWBDOCICJI-LOSJGSFVSA-N 50523410 CHEMBL4453475 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523410&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155523111 440731992 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283386 Cc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C20H21F3N2O/c1-13-2-4-14(5-3-13)10-25-19(26)18-12-24-11-17(18)15-6-8-16(9-7-15)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26)/t17-,18+/m0/s1 FIGDYIJYOZCGNZ-ZWKOTPCHSA-N 50523406 CHEMBL4536433 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523406&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155548636 440731988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283388 CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(F)c2)C(F)(F)F)cc1 InChI=1S/C21H23F4N3O/c1-28(2)15-6-3-13(4-7-15)10-27-20(29)17-12-26-11-16(17)14-5-8-18(19(22)9-14)21(23,24)25/h3-9,16-17,26H,10-12H2,1-2H3,(H,27,29)/t16-,17+/m0/s1 ONLUGUMUKZHJAF-DLBZAZTESA-N 50523409 CHEMBL4483725 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523409&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155540816 440731991 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283393 CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C23H28F3N3O/c1-3-29(4-2)19-11-5-16(6-12-19)13-28-22(30)21-15-27-14-20(21)17-7-9-18(10-8-17)23(24,25)26/h5-12,20-21,27H,3-4,13-15H2,1-2H3,(H,28,30)/t20-,21+/m0/s1 NOBTZUHVRRHRIT-LEWJYISDSA-N 50523415 CHEMBL4515188 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523415&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155539416 440731997 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51283394 CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(nc2)C(F)(F)F)cc1 InChI=1S/C20H23F3N4O/c1-27(2)15-6-3-13(4-7-15)9-26-19(28)17-12-24-11-16(17)14-5-8-18(25-10-14)20(21,22)23/h3-8,10,16-17,24H,9,11-12H2,1-2H3,(H,26,28)/t16-,17+/m1/s1 WXLGXMLWEIXZHQ-SJORKVTESA-N 50523411 CHEMBL4475207 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.8b01972 10.7270/Q2HD802B 30856324 Meyers, MJ; Liu, J; Xu, J; Leng, F; Guan, J; Liu, Z; McNitt, SA; Qin, L; Dai, L; Ma, H; Adah, D; Zhao, S; Li, X; Polino, AJ; Nasamu, AS; Goldberg, DE; Liu, X; Lu, Y; Tu, Z; Chen, X; Tortorella, MD Saint Louis University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50523411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50523411&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155537567 440731993 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 979702 C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H21FN8O2S/c1-20(12-32(31)25-8-2-3-9-29(32)19(23)28-20)17-14(21)5-7-16(26-17)27-18(30)15-6-4-13(10-22)11-24-15/h4-7,11H,2-3,8-9,12H2,1H3,(H2,23,28)(H,26,27,30)/t20-,32-/m0/s1 DYQFDFNWDFGGCC-WEZXKFLESA-N 472826 US10829500, Exam. 1 Beta-secretase 1 Homo sapiens 86.0 US Patent 10.7270/Q2C53PX8 aid1805017 US10829500 Bartels, B; Dolente, C; Guba, W; Haap, W; Kuglstatter, A; Obst Sander, U; Peters, J; Rogers-Evans, M; Woltering, T; Schnider, C; Wermuth, R Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=472826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=472826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135219055 441611809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 979703 C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H21FN8O2S/c1-20(12-32(31)25-8-2-3-9-29(32)19(23)28-20)17-14(21)5-7-16(26-17)27-18(30)15-6-4-13(10-22)11-24-15/h4-7,11H,2-3,8-9,12H2,1H3,(H2,23,28)(H,26,27,30)/t20-,32+/m0/s1 DYQFDFNWDFGGCC-MQFAKOPTSA-N 472827 US10829500, Exam. 2 Beta-secretase 1 Homo sapiens 49.0 US Patent 10.7270/Q2C53PX8 aid1805017 US10829500 Bartels, B; Dolente, C; Guba, W; Haap, W; Kuglstatter, A; Obst Sander, U; Peters, J; Rogers-Evans, M; Woltering, T; Schnider, C; Wermuth, R Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=472827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=472827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135219062 441611810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 979704 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1)C#N InChI=1S/C21H23FN8O2S/c1-13-9-14(10-23)11-25-17(13)19(31)28-16-6-5-15(22)18(27-16)21(2)12-33(32)26-7-3-4-8-30(33)20(24)29-21/h5-6,9,11H,3-4,7-8,12H2,1-2H3,(H2,24,29)(H,27,28,31)/t21-,33+/m0/s1 WSSXBDLKVXUTBE-AUSOSSAASA-N 472828 US10829500, Exam. 3 Beta-secretase 1 Homo sapiens 36.0 US Patent 10.7270/Q2C53PX8 aid1805017 US10829500 Bartels, B; Dolente, C; Guba, W; Haap, W; Kuglstatter, A; Obst Sander, U; Peters, J; Rogers-Evans, M; Woltering, T; Schnider, C; Wermuth, R Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=472828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=472828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135219270 441611811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 979705 NC1=N[C@@](CF)(C[S@]2(=O)=NCCCCN12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H20F2N8O2S/c21-11-20(12-33(32)26-7-1-2-8-30(33)19(24)29-20)17-14(22)4-6-16(27-17)28-18(31)15-5-3-13(9-23)10-25-15/h3-6,10H,1-2,7-8,11-12H2,(H2,24,29)(H,27,28,31)/t20-,33-/m0/s1 VGEZZRMHKSHFMA-KGMZSHBCSA-N 472829 US10829500, Exam. 4 Beta-secretase 1 Homo sapiens 96.0 US Patent 10.7270/Q2C53PX8 aid1805017 US10829500 Bartels, B; Dolente, C; Guba, W; Haap, W; Kuglstatter, A; Obst Sander, U; Peters, J; Rogers-Evans, M; Woltering, T; Schnider, C; Wermuth, R Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=472829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=472829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135206079 441611812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 979706 NC1=N[C@@](CF)(C[S@@]2(=O)=NCCCCN12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H20F2N8O2S/c21-11-20(12-33(32)26-7-1-2-8-30(33)19(24)29-20)17-14(22)4-6-16(27-17)28-18(31)15-5-3-13(9-23)10-25-15/h3-6,10H,1-2,7-8,11-12H2,(H2,24,29)(H,27,28,31)/t20-,33+/m0/s1 VGEZZRMHKSHFMA-NLINSNCNSA-N 472830 US10829500, Exam. 5 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2C53PX8 aid1805017 US10829500 Bartels, B; Dolente, C; Guba, W; Haap, W; Kuglstatter, A; Obst Sander, U; Peters, J; Rogers-Evans, M; Woltering, T; Schnider, C; Wermuth, R Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=472830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=472830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135205776 441611813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334633 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 239 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334634 NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 NIDRNVHMMDAAIK-YPMLDQLKSA-N 50012647 CHEMBL2396989 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3YS 4X7I 49837968 103924900 CHEMBL2396989 ZINC29415484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334635 NC1=N[C@]2(COC[C@H]2CS1)[C@H]1C[C@@H]1NC(=O)c1ccc(F)cn1 InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10-,12-,15-/m0/s1 OWWIYTVWTQBRDL-FGAILIKWSA-N 50540163 CHEMBL4637568 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QJJ 6UVP 145704715 442141726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334636 NC1=N[C@]2(COC[C@H]2CS1)[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cn1 InChI=1S/C15H17FN4O2S/c16-9-1-2-12(18-4-9)19-13(21)10-3-11(10)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10-11H,3,5-7H2,(H2,17,20)(H,18,19,21)/t8-,10+,11+,15-/m0/s1 BPFYCHBMLLBUKA-DOKDZLDGSA-N 50540164 CHEMBL4640948 Beta-secretase 1 Homo sapiens 92400 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156015617 442141727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334637 CCNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2 InChI=1S/C12H19N3O2S/c1-2-14-10(16)8-3-9(8)12-6-17-4-7(12)5-18-11(13)15-12/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)/t7-,8+,9+,12-/m0/s1 VAPJUXNDIXGLMR-HAYRHPOISA-N 50540165 CHEMBL4637913 Beta-secretase 1 Homo sapiens 58000 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011383 442141728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334638 CCCNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2 InChI=1S/C13H21N3O2S/c1-2-3-15-11(17)9-4-10(9)13-7-18-5-8(13)6-19-12(14)16-13/h8-10H,2-7H2,1H3,(H2,14,16)(H,15,17)/t8-,9+,10+,13-/m0/s1 AZMITPYXDXQIOX-WTBMIXGQSA-N 50540166 CHEMBL4636311 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156013660 442141729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334639 CCCCNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2 InChI=1S/C14H23N3O2S/c1-2-3-4-16-12(18)10-5-11(10)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1 WVAFMFLAAGBATC-OXIWPEFWSA-N 50540167 CHEMBL4642463 Beta-secretase 1 Homo sapiens 6640 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QJV 6UVV 145704717 442141730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334640 C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2 InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1 FKPBYKKZZCOMKI-MIDHOLSSSA-N 50540168 CHEMBL4644249 Beta-secretase 1 Homo sapiens 990 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QJP 6UVY 145704718 442141731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334641 CCCCC(=O)N[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2 InChI=1S/C14H23N3O2S/c1-2-3-4-12(18)16-11-5-10(11)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1 OSYFHIQBMUKDPZ-OXIWPEFWSA-N 50540169 CHEMBL4648644 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156020065 442141732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334642 CCCCNC(=O)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1 InChI=1S/C18H26N6OS/c1-2-3-5-20-15(25)13-8-14(13)18-11-24(17-21-6-4-7-22-17)9-12(18)10-26-16(19)23-18/h4,6-7,12-14H,2-3,5,8-11H2,1H3,(H2,19,23)(H,20,25)/t12-,13+,14+,18-/m0/s1 QJJBLKYNQOSIHJ-LWGWVAHUSA-N 50540170 CHEMBL4636286 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156013710 442141733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334643 C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1 InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1 UKXLLHCQBVONES-MPDRSUQMSA-N 50540171 CHEMBL4643727 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QKA 6UWP 145704719 442141734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334644 C[C@@H]1C[C@H]1COC(C)(C)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1 InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1 BFGQEVKVRRYAQC-IFEDNLKFSA-N 50540172 CHEMBL4637426 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QK7 6UWV 145704720 442141735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51334669 C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1 InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1 UKXLLHCQBVONES-MPDRSUQMSA-N 50540171 CHEMBL4643727 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1016/j.bmc.2019.115194 10.7270/Q2B56P8K 31786008 Winneroski, LL; Erickson, JA; Green, SJ; Lopez, JE; Stout, SL; Porter, WJ; Timm, DE; Audia, JE; Barberis, M; Beck, JP; Boggs, LN; Borders, AR; Boyer, RD; Brier, RA; Hembre, EJ; Hendle, J; Garcia-Losada, P; Minguez, JM; Mathes, BM; May, PC; Monk, SA; Rankovic, Z; Shi, Y; Watson, BM; Yang, Z; Mergott, DJ Eli Lilly and Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QKA 6UWP 145704719 442141734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51343388 COC(=O)[C@H]1OCC(=S)N[C@@H]1c1ccc(OC)cc1 InChI=1S/C13H15NO4S/c1-16-9-5-3-8(4-6-9)11-12(13(15)17-2)18-7-10(19)14-11/h3-6,11-12H,7H2,1-2H3,(H,14,19)/t11-,12+/m1/s1 BKEZICVUTMQQDK-NEPJUHHUSA-N 50543772 CHEMBL4648247 Beta-secretase 1 Homo sapiens 5700 ChEMBL 10.1016/j.bmcl.2020.127211 10.7270/Q2GQ729Q 32354570 Calugi, L; Lenci, E; Innocenti, R; Trabocchi, A University of Florence http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156020516 442145335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347679 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H20F5N5O3/c22-6-13-3-11-5-21(25,26)19(27)31-20(11,9-33-13)14-4-12(1-2-15(14)24)30-18(32)16-7-29-17(8-28-16)34-10-23/h1-2,4,7-8,11,13H,3,5-6,9-10H2,(H2,27,31)(H,30,32)/t11-,13+,20-/m0/s1 YTDOAMKMBQFAAC-SCLGINMFSA-N 50545179 CHEMBL4636350 Beta-secretase 1 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011645 442110990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347680 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H20F5N5O3/c22-6-13-3-11-5-21(25,26)19(27)31-20(11,9-33-13)14-4-12(1-2-15(14)24)30-18(32)16-7-29-17(8-28-16)34-10-23/h1-2,4,7-8,11,13H,3,5-6,9-10H2,(H2,27,31)(H,30,32)/t11-,13+,20-/m0/s1 YTDOAMKMBQFAAC-SCLGINMFSA-N 50545179 CHEMBL4636350 Beta-secretase 1 Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011645 442110990 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993503 C[C@]1(CCSC(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C18H16ClF2N3S/c1-18(6-7-25-17(22)24-18)13-8-11(2-4-14(13)20)9-15(21)16-5-3-12(19)10-23-16/h2-5,8-10H,6-7H2,1H3,(H2,22,24)/b15-9-/t18-/m0/s1 SUXMDOZZNWAJIB-YHTSIIMFSA-N 477882 US10889579, Example 102 Beta-secretase 1 Homo sapiens 124 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477882&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125965 442137496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993506 C[C@]1(CCSC(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16F2N4S/c1-19(6-7-26-18(23)25-19)14-8-12(2-4-15(14)20)9-16(21)17-5-3-13(10-22)11-24-17/h2-5,8-9,11H,6-7H2,1H3,(H2,23,25)/b16-9-/t19-/m0/s1 OEEHPGXMFVJORU-QHVUTBCBSA-N 477883 US10889579, Example 103 Beta-secretase 1 Homo sapiens 74.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477883&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125999 442137497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993509 COC(=O)[C@H]1C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF2N3O2S/c1-20(9-17(18(27)28-2)29-19(24)26-20)13-7-11(3-5-14(13)22)8-15(23)16-6-4-12(21)10-25-16/h3-8,10,17H,9H2,1-2H3,(H2,24,26)/b15-8-/t17-,20+/m1/s1 VIAPZLCTMVEPSN-YETOEZFSSA-N 477884 (4S,6R)-methyl 2-amino-4-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazine-6-carboxylate; and::US10889579, Example 104 Beta-secretase 1 Homo sapiens 212 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477884&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126073 442137498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993512 COC(=O)[C@@H]1C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H18ClF2N3O2S/c1-20(9-17(18(27)28-2)29-19(24)26-20)13-7-11(3-5-14(13)22)8-15(23)16-6-4-12(21)10-25-16/h3-8,10,17H,9H2,1-2H3,(H2,24,26)/b15-8-/t17-,20-/m0/s1 VIAPZLCTMVEPSN-DVQXZNDESA-N 477885 US10889579, Example 105 Beta-secretase 1 Homo sapiens 45.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477885&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126033 442137499 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993515 COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3O2S/c1-20(11-21(2,18(28)29-3)30-19(25)27-20)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,25,27)/b16-9-/t20-,21-/m0/s1 BERWNTPMLOPRFA-ZLHQPFQKSA-N 477886 (4S,6S)-methyl 2-amino-4-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazine-6-carboxylate; and::US10889579, Example 106 Beta-secretase 1 Homo sapiens 54.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477886&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125405 442137500 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993518 COC(=O)[C@@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3O2S/c1-20(11-21(2,18(28)29-3)30-19(25)27-20)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,25,27)/b16-9-/t20-,21+/m0/s1 BERWNTPMLOPRFA-MUKCZTLISA-N 477887 US10889579, Example 107 Beta-secretase 1 Homo sapiens 68.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125995 442137501 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993521 COC(=O)[C@@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4O2S/c1-21(12-22(2,19(29)30-3)31-20(26)28-21)15-8-13(4-6-16(15)23)9-17(24)18-7-5-14(10-25)11-27-18/h4-9,11H,12H2,1-3H3,(H2,26,28)/b17-9-/t21-,22+/m0/s1 MAERFSXIYMAPNB-PWCMVGRQSA-N 477888 (4S,6R)-methyl 2-amino-4-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazine-6-carboxylate; and::US10889579, Example 108 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477888&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126030 442137502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993524 COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4O2S/c1-21(12-22(2,19(29)30-3)31-20(26)28-21)15-8-13(4-6-16(15)23)9-17(24)18-7-5-14(10-25)11-27-18/h4-9,11H,12H2,1-3H3,(H2,26,28)/b17-9-/t21-,22-/m0/s1 MAERFSXIYMAPNB-UHEHGDELSA-N 477889 US10889579, Example 109 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477889&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126498 442137503 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993527 C[C@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)C(=O)N1CCOCC1 InChI=1S/C25H25F2N5O2S/c1-24(15-25(2,35-23(29)31-24)22(33)32-7-9-34-10-8-32)18-11-16(3-5-19(18)26)12-20(27)21-6-4-17(13-28)14-30-21/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,29,31)/b20-12-/t24-,25-/m0/s1 QBRVMFURZXJSCP-PQLPFPTISA-N 477890 US10889579, Example 110 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477890&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126489 442137504 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993530 C[C@@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)C(=O)N1CCOCC1 InChI=1S/C25H25F2N5O2S/c1-24(15-25(2,35-23(29)31-24)22(33)32-7-9-34-10-8-32)18-11-16(3-5-19(18)26)12-20(27)21-6-4-17(13-28)14-30-21/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,29,31)/b20-12-/t24-,25+/m0/s1 QBRVMFURZXJSCP-QKYCXKCASA-N 477891 US10889579, Example 111 Beta-secretase 1 Homo sapiens 98.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477891&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126058 442137505 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993533 CNC(=O)[C@@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H23F2N5O2S/c1-5-8-32-19-12-28-18(11-29-19)17(25)10-14-6-7-16(24)15(9-14)22(2)13-23(3,20(31)27-4)33-21(26)30-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,26,30)(H,27,31)/b17-10-/t22-,23+/m0/s1 DUXJJGZUZXKWAW-MHTWHAOXSA-N 477892 (4S,6R)-2-amino-4-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2-propyn-1-yloxy)-2-pyrazinyl)ethenyl)phenyl)-N,4,6-trimethyl-5,6-dihydro-4H-1,3-thiazine-6-carboxamide; and::US10889579, Example 112 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477892&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126031 442137506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993536 CNC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H23F2N5O2S/c1-5-8-32-19-12-28-18(11-29-19)17(25)10-14-6-7-16(24)15(9-14)22(2)13-23(3,20(31)27-4)33-21(26)30-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,26,30)(H,27,31)/b17-10-/t22-,23-/m0/s1 DUXJJGZUZXKWAW-WJFVXKAHSA-N 477893 US10889579, Example 113 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477893&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126076 442137507 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993539 C[C@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F)C(=O)N1CCOCC1 InChI=1S/C26H27F2N5O3S/c1-4-9-36-22-15-30-21(14-31-22)20(28)13-17-5-6-19(27)18(12-17)25(2)16-26(3,37-24(29)32-25)23(34)33-7-10-35-11-8-33/h1,5-6,12-15H,7-11,16H2,2-3H3,(H2,29,32)/b20-13-/t25-,26-/m0/s1 IOFNYKVZLKYNAL-LNBNGDJBSA-N 477894 US10889579, Example 114 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126049 442137508 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993542 C[C@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F)C(=O)NCC(F)F InChI=1S/C24H23F4N5O2S/c1-4-7-35-20-12-30-18(10-31-20)17(26)9-14-5-6-16(25)15(8-14)23(2)13-24(3,36-22(29)33-23)21(34)32-11-19(27)28/h1,5-6,8-10,12,19H,7,11,13H2,2-3H3,(H2,29,33)(H,32,34)/b17-9-/t23-,24-/m0/s1 IHVUSAHOCXOFDW-QTBRSPPKSA-N 477895 US10889579, Example 115 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126491 442137509 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993545 CNC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H21F2N5OS/c1-21(12-22(2,19(30)27-3)31-20(26)29-21)15-8-13(4-6-16(15)23)9-17(24)18-7-5-14(10-25)11-28-18/h4-9,11H,12H2,1-3H3,(H2,26,29)(H,27,30)/b17-9-/t21-,22-/m0/s1 QJKFEJWUIZULMF-UHEHGDELSA-N 477896 US10889579, Example 116 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q241715H aid1805173 US10889579 Bourbeau, MP; Harrington, PE; Liu, Q Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125408 442137510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993548 NC1=N[C@@](CF)([C@@H]2C[C@]2(CO)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C21H16F2N4OS/c22-11-21(18-8-20(18,12-28)29-19(25)27-21)16-7-13(3-6-17(16)23)1-4-15-5-2-14(9-24)10-26-15/h2-3,5-7,10,18,28H,8,11-12H2,(H2,25,27)/t18-,20-,21-/m1/s1 ZGAHEVILJKGEED-HMXCVIKNSA-N 477897 6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(hydroxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 100 Beta-secretase 1 Homo sapiens 80.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328469 442137511 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993551 NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C21H15F3N4S/c22-11-20-8-18(20)21(12-23,28-19(26)29-20)16-7-13(3-6-17(16)24)1-4-15-5-2-14(9-25)10-27-15/h2-3,5-7,10,18H,8,11-12H2,(H2,26,28)/t18-,20-,21-/m1/s1 SDRBUXDDHNLJGX-HMXCVIKNSA-N 477898 6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 101 Beta-secretase 1 Homo sapiens 104 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126391 442137512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993554 NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(Cl)cn1 InChI=1S/C20H15ClF3N3S/c21-13-3-5-14(26-9-13)4-1-12-2-6-16(24)15(7-12)20(11-23)17-8-19(17,10-22)28-18(25)27-20/h2-3,5-7,9,17H,8,10-11H2,(H2,25,27)/t17-,19-,20-/m1/s1 FAQNBNVGHSOMNY-MISYRCLQSA-N 477899 (1S,5S,6S)-5-(5-((5-chloropyridin-2-yl)ethynyl)-2-fluorophenyl)-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10889581, Example 102 Beta-secretase 1 Homo sapiens 182 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 150128065 442137513 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993557 NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cnc(cn1)C#N InChI=1S/C20H14F3N5S/c21-10-19-6-17(19)20(11-22,28-18(25)29-19)15-5-12(2-4-16(15)23)1-3-13-8-27-14(7-24)9-26-13/h2,4-5,8-9,17H,6,10-11H2,(H2,25,28)/t17-,19-,20-/m1/s1 SFMCZNIJMMCWAL-MISYRCLQSA-N 477900 5-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)pyrazine-2-carbonitrile::US10889581, Example 103 Beta-secretase 1 Homo sapiens 86.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125652 442137514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993560 Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12)C#N InChI=1S/C22H17F3N4S/c1-13-6-15(9-26)10-28-18(13)5-3-14-2-4-17(25)16(7-14)22(12-24)19-8-21(19,11-23)30-20(27)29-22/h2,4,6-7,10,19H,8,11-12H2,1H3,(H2,27,29)/t19-,21-,22-/m1/s1 RGTGFOOOUNAWIC-CEMLEFRQSA-N 477901 6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 104 Beta-secretase 1 Homo sapiens 38.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126337 442137515 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993563 CC#CCOc1ccc(nc1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12 InChI=1S/C24H20F3N3OS/c1-2-3-10-31-18-8-7-17(29-13-18)6-4-16-5-9-20(27)19(11-16)24(15-26)21-12-23(21,14-25)32-22(28)30-24/h5,7-9,11,13,21H,10,12,14-15H2,1H3,(H2,28,30)/t21-,23-,24-/m1/s1 FWQMUIPDWBVIAK-GMKZXUHWSA-N 477902 (1S,5S,6S)-5-(5-((5-(but-2-yn-1-yloxy)pyridin-2-yl)ethynyl)-2-fluorophenyl)-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10889581, Example 105 Beta-secretase 1 Homo sapiens 96.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 150236639 442137516 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993566 NC1=N[C@@](CF)([C@@H]2C[C@]2(CC#N)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C22H15F2N5S/c23-13-22(19-10-21(19,7-8-25)30-20(27)29-22)17-9-14(3-6-18(17)24)1-4-16-5-2-15(11-26)12-28-16/h2-3,5-6,9,12,19H,7,10,13H2,(H2,27,29)/t19-,21+,22-/m1/s1 RJOFQCKQEMAZEM-BAGYTPMASA-N 477903 6-((3-((1R,5S,6S)-3-amino-1-(cyanomethyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 106 Beta-secretase 1 Homo sapiens 84.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328504 442137517 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993569 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C#N)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C23H15F2N5S/c24-14-23(20-11-22(20,8-1-9-26)31-21(28)30-23)18-10-15(4-7-19(18)25)2-5-17-6-3-16(12-27)13-29-17/h1,3-4,6-8,10,13,20H,11,14H2,(H2,28,30)/b8-1+/t20-,22+,23-/m1/s1 KKRBCUDPEWDQPI-TUUZJDJFSA-N 477904 6-((3-((1R,5S,6S)-3-amino-1-((E)-2-cyanovinyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 107 Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141700 442137518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993572 NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(OCc2ncco2)cn1 InChI=1S/C24H19F3N4O2S/c25-13-23-10-20(23)24(14-26,31-22(28)34-23)18-9-15(2-6-19(18)27)1-3-16-4-5-17(11-30-16)33-12-21-29-7-8-32-21/h2,4-9,11,20H,10,12-14H2,(H2,28,31)/t20-,23-,24-/m1/s1 OMEMOIMHKXXIAX-AGILITTLSA-N 477905 (1S,5S,6S)-5-(2-fluoro-5-((5-(oxazol-2-ylmethoxy)pyridin-2-yl)ethynyl)phenyl)-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10889581, Example 108 Beta-secretase 1 Homo sapiens 735 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 151349538 442137519 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993575 NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ncc(s1)C#N InChI=1S/C19H13F3N4S2/c20-9-18-6-15(18)19(10-21,26-17(24)28-18)13-5-11(1-3-14(13)22)2-4-16-25-8-12(7-23)27-16/h1,3,5,8,15H,6,9-10H2,(H2,24,26)/t15-,18-,19-/m1/s1 LTTMNBDRNFKKOY-ATZDWAIDSA-N 477906 2-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)thiazole-5-carbonitrile::US10889581, Example 109 Beta-secretase 1 Homo sapiens 57.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125810 442137520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993578 C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C21H15F3N4OS/c1-19(17-20(11-29,21(17,23)24)30-18(26)28-19)15-8-12(4-7-16(15)22)2-5-14-6-3-13(9-25)10-27-14/h3-4,6-8,10,17,29H,11H2,1H3,(H2,26,28)/t17-,19+,20+/m0/s1 DYNPYLMDNBPLJS-DFQSSKMNSA-N 477907 6-((3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(hydroxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 110 Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141839 442137521 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993581 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C27H23F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-8,13,16,23H,9-12,14,17H2,(H2,31,33)/b8-7+/t23-,26+,27-/m1/s1 FRVCLHJFWPHQDO-ACYVMRIUSA-N 477908 6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 111 Beta-secretase 1 Homo sapiens 19.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126141 442137522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993584 CN(C)C(=O)\C=C\[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C25H21F2N5OS/c1-32(2)22(33)9-10-24-12-21(24)25(15-26,31-23(29)34-24)19-11-16(5-8-20(19)27)3-6-18-7-4-17(13-28)14-30-18/h4-5,7-11,14,21H,12,15H2,1-2H3,(H2,29,31)/b10-9+/t21-,24+,25-/m1/s1 AOKKWUDSGZAXHM-HSWNYDEUSA-N 477909 (E)-3-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-yl)ethynyl)-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)-N,N-dimethylacrylamide::US10889581, Example 112 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328502 442137523 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993587 NC(=O)C[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C22H17F2N5OS/c23-12-22(18-8-21(18,9-19(26)30)31-20(27)29-22)16-7-13(3-6-17(16)24)1-4-15-5-2-14(10-25)11-28-15/h2-3,5-7,11,18H,8-9,12H2,(H2,26,30)(H2,27,29)/t18-,21-,22-/m1/s1 RMKIYSYQYMTKCY-STZQEDGTSA-N 477910 2-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-yl)ethynyl)-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)acetamide::US10889581, Example 113 Beta-secretase 1 Homo sapiens 116 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125494 442137524 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993590 C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(cnc1F)C#Cc1ccc(cn1)C#N InChI=1S/C20H15F2N5S/c1-19(16-7-20(16,11-21)28-18(24)27-19)15-6-12(9-26-17(15)22)2-4-14-5-3-13(8-23)10-25-14/h3,5-6,9-10,16H,7,11H2,1H3,(H2,24,27)/t16-,19+,20+/m0/s1 MYTZXYYCRAMPEU-PWIZWCRZSA-N 477911 6-((5-((1S,5S,6S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)ethynyl)nicotinonitrile::US10889581, Example 114 Beta-secretase 1 Homo sapiens 637 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328492 442137525 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993593 Cc1cn(C[C@]23C[C@H]2[C@](CF)(N=C(N)S3)c2cc(ccc2F)C#Cc2ccc(cn2)C#N)nn1 InChI=1S/C24H19F2N7S/c1-15-12-33(32-31-15)14-23-9-21(23)24(13-25,30-22(28)34-23)19-8-16(4-7-20(19)26)2-5-18-6-3-17(10-27)11-29-18/h3-4,6-8,11-12,21H,9,13-14H2,1H3,(H2,28,30)/t21-,23-,24-/m1/s1 BCIAXCKWZIUDAP-GMKZXUHWSA-N 477912 6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-((4-methyl-1H-1,2,3-triazol-1-yl)methyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 115 Beta-secretase 1 Homo sapiens 109 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477912&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141445 442137526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993596 Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1)C#N InChI=1S/C28H25F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,6-7,12-13,16,24H,8-11,14,17H2,1H3,(H2,32,34)/b7-6+/t24-,27+,28-/m1/s1 KJOFKJHARIZLRZ-ALCSNEQFSA-N 477913 6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 116 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477913&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125648 442137527 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993599 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(Cl)cn1 InChI=1S/C25H22ClF2N5O2S/c26-17-13-30-21(31-14-17)4-2-16-1-3-19(28)18(11-16)25(15-27)20-12-24(20,36-23(29)32-25)6-5-22(34)33-7-9-35-10-8-33/h1,3,5-6,11,13-14,20H,7-10,12,15H2,(H2,29,32)/b6-5+/t20-,24+,25-/m1/s1 UUCVLVXHCQKZPD-ZEBAXETDSA-N 477914 (E)-3-((1R,5S,6S)-3-amino-5-(5-((5-chloropyrimidin-2-yl)ethynyl)-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)-1-morpholinoprop-2-en-1-one::US10889581, Example 117 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477914&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328490 442137528 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993602 Cc1cc(sn1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1 InChI=1S/C25H24F2N4O2S2/c1-16-12-18(35-30-16)4-2-17-3-5-20(27)19(13-17)25(15-26)21-14-24(21,34-23(28)29-25)7-6-22(32)31-8-10-33-11-9-31/h3,5-7,12-13,21H,8-11,14-15H2,1H3,(H2,28,29)/b7-6+/t21-,24+,25-/m1/s1 JRYHADPZJXSPRP-BHGTYKIOSA-N 477915 (E)-3-((1R,5S,6S)-3-amino-5-(2-fluoro-5-((3-methylisothiazol-5-yl)ethynyl)phenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)-1-morpholinoprop-2-en-1-one::US10889581, Example 118 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477915&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 150731554 442137529 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993605 NC1=N[C@@](CF)([C@@H]2C[C@]2(CCC(=O)N2CCOCC2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C27H25F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-6,13,16,23H,7-12,14,17H2,(H2,31,33)/t23-,26+,27-/m1/s1 GQUCJZKBSKTSBA-DURWQBQJSA-N 477916 6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-morpholino-3-oxopropyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 119 Beta-secretase 1 Homo sapiens 49.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125573 442137530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993608 Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CCC(=O)N3CCOCC3)C[C@@H]12)C#N InChI=1S/C28H27F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,12-13,16,24H,6-11,14,17H2,1H3,(H2,32,34)/t24-,27+,28-/m1/s1 GFZSQUSNLSAKTD-FQLPYIGMSA-N 477917 6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-morpholino-3-oxopropyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 120 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477917&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125849 442137531 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993611 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cn1)C#N InChI=1S/C26H22F2N6O2S/c27-16-26(19-11-17(1-3-20(19)28)2-4-22-31-14-18(13-29)15-32-22)21-12-25(21,37-24(30)33-26)6-5-23(35)34-7-9-36-10-8-34/h1,3,5-6,11,14-15,21H,7-10,12,16H2,(H2,30,33)/b6-5+/t21-,25+,26-/m1/s1 AFTWTRHAYWBSST-ONGRUHMKSA-N 477918 2-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)pyrimidine-5-carbonitrile::US10889581, Example 121 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126090 442137532 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993614 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N InChI=1S/C28H24F2N4O2S/c29-18-28(22-15-20(7-8-23(22)30)4-1-19-2-5-21(17-31)6-3-19)24-16-27(24,37-26(32)33-28)10-9-25(35)34-11-13-36-14-12-34/h2-3,5-10,15,24H,11-14,16,18H2,(H2,32,33)/b10-9+/t24-,27+,28-/m1/s1 HKMWURYHQXDLAG-NVAWJBEOSA-N 477919 4-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)benzonitrile::US10889581, Example 122 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477919&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125377 442137533 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993617 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N InChI=1S/C24H22FN5OS/c1-14-9-16(12-26)13-28-19(14)8-6-15-5-7-18(25)17(10-15)23(2)20-11-24(20,21(31)30(3)4)32-22(27)29-23/h5,7,9-10,13,20H,11H2,1-4H3,(H2,27,29)/t20-,23+,24-/m0/s1 KEYGOCWGASLCFN-ZTCOLXNVSA-N 477920 (1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methyl-2-pyridinyl)ethynyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 123 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477920&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141881 442137534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993620 NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cc1F)C#N InChI=1S/C27H22F3N5O2S/c28-16-27(19-11-17(1-3-20(19)29)2-4-22-21(30)12-18(14-31)15-33-22)23-13-26(23,38-25(32)34-27)6-5-24(36)35-7-9-37-10-8-35/h1,3,5-6,11-12,15,23H,7-10,13,16H2,(H2,32,34)/b6-5+/t23-,26+,27-/m1/s1 NGFGTPHIPOZBPD-HZQXDJCGSA-N 477921 6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-fluoronicotinonitrile::US10889581, Example 124 Beta-secretase 1 Homo sapiens 49.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477921&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125679 442137535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993623 NC1=N[C@@](CF)([C@@H]2C[C@]2(Cn2ccnc2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C24H18F2N6S/c25-13-24(21-10-23(21,33-22(28)31-24)14-32-8-7-29-15-32)19-9-16(3-6-20(19)26)1-4-18-5-2-17(11-27)12-30-18/h2-3,5-9,12,15,21H,10,13-14H2,(H2,28,31)/t21-,23-,24-/m1/s1 LVSIXOOZCSCCOL-GMKZXUHWSA-N 477922 6-((3-((1S,5S,6S)-1-((1H-imidazol-1-yl)methyl)-3-amino-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 125 Beta-secretase 1 Homo sapiens 583 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477922&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141692 442137536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993626 Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N)C#N InChI=1S/C22H16FN5S/c1-13-7-15(10-24)11-27-18(13)6-4-14-3-5-17(23)16(8-14)21(2)19-9-22(19,12-25)29-20(26)28-21/h3,5,7-8,11,19H,9H2,1-2H3,(H2,26,28)/t19-,21+,22+/m0/s1 CBYOFAWUWAYPKP-KSEOMHKRSA-N 477923 (1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-2-yl)ethynyl)-2-fluorophenyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carbonitrile::US10889581, Example 126 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328483 442137537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993629 CN(C)C(=O)[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N InChI=1S/C24H21F2N5OS/c1-14-8-16(11-27)12-29-19(14)7-5-15-4-6-18(26)17(9-15)23(13-25)20-10-24(20,21(32)31(2)3)33-22(28)30-23/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,28,30)/t20-,23+,24-/m0/s1 ASCVRCHPGUMCIB-ZTCOLXNVSA-N 477924 (1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-2-yl)ethynyl)-2-fluorophenyl)-5-(fluoromethyl)-N,N-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 127 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477924&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141879 442137538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993632 Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)C#N InChI=1S/C26H24FN5OS/c1-16-11-18(14-28)15-30-21(16)8-6-17-5-7-20(27)19(12-17)25(2)22-13-26(22,34-24(29)31-25)23(33)32-9-3-4-10-32/h5,7,11-12,15,22H,3-4,9-10,13H2,1-2H3,(H2,29,31)/t22-,25+,26-/m0/s1 KGMQOELEPMRZJR-DFCKQENNSA-N 477925 6-((3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 128 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477925&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125150 442137539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993635 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cc1)C#N InChI=1S/C24H21FN4OS/c1-23(20-13-24(20,21(30)29(2)3)31-22(27)28-23)18-12-16(10-11-19(18)25)7-4-15-5-8-17(14-26)9-6-15/h5-6,8-12,20H,13H2,1-3H3,(H2,27,28)/t20-,23+,24-/m0/s1 NMGJMZGFSOPENJ-ZTCOLXNVSA-N 477926 (1S,5S,6S)-3-amino-5-(5-((4-cyanophenyl)ethynyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 129 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477926&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141704 442137540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993638 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(OCC#C)cn1 InChI=1S/C25H23FN4O2S/c1-5-12-32-18-10-9-17(28-15-18)8-6-16-7-11-20(26)19(13-16)24(2)21-14-25(21,22(31)30(3)4)33-23(27)29-24/h1,7,9-11,13,15,21H,12,14H2,2-4H3,(H2,27,29)/t21-,24+,25-/m0/s1 MOAJIFLFRHPNCU-GPUOULLFSA-N 477927 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((5-(2-propyn-1-yloxy)-2-pyridinyl)ethynyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 130 Beta-secretase 1 Homo sapiens 161 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477927&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125744 442137541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993641 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(OCc2ncco2)cc1C InChI=1S/C27H26FN5O3S/c1-16-11-18(36-15-23-30-9-10-35-23)14-31-21(16)8-6-17-5-7-20(28)19(12-17)26(2)22-13-27(22,24(34)33(3)4)37-25(29)32-26/h5,7,9-12,14,22H,13,15H2,1-4H3,(H2,29,32)/t22-,26+,27-/m0/s1 RAHDYDYNSIAFMG-FDJWOJMMSA-N 477928 (1S,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl-5-(oxazol-2-ylmethoxy)pyridin-2-yl)ethynyl)phenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 131 Beta-secretase 1 Homo sapiens 41.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477928&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328474 442137542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993644 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#CC1CC1 InChI=1S/C20H22FN3OS/c1-19(14-10-13(8-9-15(14)21)7-6-12-4-5-12)16-11-20(16,17(25)24(2)3)26-18(22)23-19/h8-10,12,16H,4-5,11H2,1-3H3,(H2,22,23)/t16-,19+,20-/m0/s1 ZETLMDXVTJYGIP-DBVUQKKJSA-N 477929 (1S,5S,6S)-3-amino-5-(5-(cyclopropylethynyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 132 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477929&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135142122 442137543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51337705 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F InChI=1S/C18H16ClF3N4O2/c1-9-5-10(19)7-24-14(9)15(27)25-11-3-4-13(20)12(6-11)17(2)18(21,22)8-28-16(23)26-17/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-/m1/s1 LSQOOIQMQSYBNI-QGZVFWFLSA-N 50432620 CHEMBL2347192 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.9b01956 10.7270/Q2QZ2FHN 32049517 Gioiello, A; Piccinno, A; Lozza, AM; Cerra, B University of Perugia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432620&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53230332 164161495 CHEMBL2347192 ZINC95603312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993647 COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N InChI=1S/C22H19FN4OS/c1-21(19-10-22(19,13-28-2)29-20(25)27-21)17-9-14(5-8-18(17)23)3-6-16-7-4-15(11-24)12-26-16/h4-5,7-9,12,19H,10,13H2,1-2H3,(H2,25,27)/t19?,21-,22-/m1/s1 QFJKGLXJJDXVNA-CEAUUGKZSA-N 477930 6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)nicotinonitrile::US10889581, Example 133 Beta-secretase 1 Homo sapiens 97.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477930&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135142120 442137544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993650 COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(Cl)cc1C InChI=1S/C22H21ClFN3OS/c1-13-8-15(23)11-26-18(13)7-5-14-4-6-17(24)16(9-14)21(2)19-10-22(19,12-28-3)29-20(25)27-21/h4,6,8-9,11,19H,10,12H2,1-3H3,(H2,25,27)/t19?,21-,22-/m1/s1 WRIHTLGFUKBBKQ-CEAUUGKZSA-N 477931 (1S,5S)-5-(5-((5-chloro-3-methylpyridin-2-yl)ethynyl)-2-fluorophenyl)-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10889581, Example 134 Beta-secretase 1 Homo sapiens 129 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477931&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125784 442137545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993653 COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N InChI=1S/C23H21FN4OS/c1-14-8-16(11-25)12-27-19(14)7-5-15-4-6-18(24)17(9-15)22(2)20-10-23(20,13-29-3)30-21(26)28-22/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,26,28)/t20?,22-,23-/m1/s1 OBBHGUFQORPJJT-JHRSTNGLSA-N 477932 6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 135 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477932&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328496 442137546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993656 Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCOCC1)C#N InChI=1S/C25H23FN6O2S/c1-15-9-17(12-27)14-29-19(15)4-3-16-10-18(21(26)30-13-16)24(2)20-11-25(20,35-23(28)31-24)22(33)32-5-7-34-8-6-32/h9-10,13-14,20H,5-8,11H2,1-2H3,(H2,28,31)/t20?,24-,25+/m1/s1 QPLBYIGLUXTAPU-RQFYCUQDSA-N 477933 6-((5-((1S,5S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 136 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477933&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153328484 442137547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993659 Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCCC1)C#N InChI=1S/C25H23FN6OS/c1-15-9-17(12-27)14-29-19(15)6-5-16-10-18(21(26)30-13-16)24(2)20-11-25(20,34-23(28)31-24)22(33)32-7-3-4-8-32/h9-10,13-14,20H,3-4,7-8,11H2,1-2H3,(H2,28,31)/t20?,24-,25+/m1/s1 KTNWHHMLWOVZTA-RQFYCUQDSA-N 477934 6-((5-((1S,5S)-3-amino-5-methyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl)ethynyl)-5-methylnicotinonitrile::US10889581, Example 137 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477934&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125441 442137548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993662 NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cc(Cl)ccn1 InChI=1S/C20H15ClF3N3S/c21-13-5-6-26-14(8-13)3-1-12-2-4-16(24)15(7-12)20(11-23)17-9-19(17,10-22)28-18(25)27-20/h2,4-8,17H,9-11H2,(H2,25,27)/t17-,19-,20-/m1/s1 MLJGESCVVGWMSL-MISYRCLQSA-N 477935 (1S,5S,6S)-5-(5-((4-chloropyridin-2-yl)ethynyl)-2-fluorophenyl)-1,5-bis(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10889581, Example 138 Beta-secretase 1 Homo sapiens 1123 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477935&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 151087231 442137549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993665 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#C InChI=1S/C17H18FN3OS/c1-5-10-6-7-12(18)11(8-10)16(2)13-9-17(13,14(22)21(3)4)23-15(19)20-16/h1,6-8,13H,9H2,2-4H3,(H2,19,20)/t13-,16+,17-/m0/s1 CFWGZKJFJHRPLR-XKQJLSEDSA-N 477936 (1S,5S,6S)-3-amino-5-(5-ethynyl-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10889581, Example 123d Beta-secretase 1 Homo sapiens 378 US Patent 10.7270/Q20868DB aid1805175 US10889581 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=477936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=477936&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135141685 442137550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988447 CC#Cc1ccc2[nH]c(c(Cl)c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 476661 (S)-6-(3-Chloro-5-(prop-1-yn-1-yl)- 1H-indol-2-yl)-2-imino-3,6-dimethyl- tetrahydropyrimidin-4(1H)-one::US10870635, Example 38 Beta-secretase 1 Homo sapiens 44.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647936 442076707 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988446 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1 NUBQUFYKLJMNAI-NRFANRHFSA-N 476660 (S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dibenzo[b,d]thiophen-2- yl)tetrahydropyrimidin-4(1H)-one::US10870635, Example 1 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641635 442076706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988449 CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H18FN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1 YMLPCTFQURLHKJ-NRFANRHFSA-N 476666 (S)-6-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-2-imino-3,6- dimethyltetrahydropyrimidin-4(1H)-one::US10870635, Example 72 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641630 442076712 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988450 CC#Cc1ccc2c(c1)-c1cc(ccc1S2(=O)=O)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H19N3O3S/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)28(17,26)27)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1 DBCMIQRJTSMXPV-NRFANRHFSA-N 476670 (S)-6-(5,5-Dioxido-8-(prop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-2-imino-3,6- dimethyltetrahydropyrimidin-4(1H)-one::US10870635, Example 79 Beta-secretase 1 Homo sapiens 87.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476670&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641609 442076716 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988451 CC#Cc1ccc2c(c1)c1cc(ccc1s2=O)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H19N3O2S/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)27(17)26)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-,27?/m0/s1 JHTRHPZKVVJSMO-LWAJAQLZSA-N 476673 (6S)-2-Imino-3,6-dimethyl-6-(5-oxido-8- (prop-1-yn-1-yl)dibenzo[b,d]thiophen- 2-yl)tetrahydropyrimidin-4(1H)-one::US10870635, Example 80 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476673&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140886467 442076719 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988452 CC#Cc1ccc2c(c1)-c1cc(ccc1C2(C)C)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C24H25N3O/c1-6-7-15-8-10-19-17(12-15)18-13-16(9-11-20(18)23(19,2)3)24(4)14-21(28)27(5)22(25)26-24/h8-13H,14H2,1-5H3,(H2,25,26)/t24-/m0/s1 MYPHJXVDVQRMEI-DEOSSOPVSA-N 476675 (S)-6-(9,9-Dimethyl-6-(prop-1-yn-1-yl)- 9H-fluoren-3-yl)-2-imino-3,6-dimethyl- tetrahydropyrimidin-4(1H)-one::US10870635, Example 81 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476675&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647731 442076721 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988453 CC#Cc1ccc2c(c1)-c1cc(ccc1C2(F)F)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C22H19F2N3O/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)22(17,23)24)21(2)12-19(28)27(3)20(25)26-21/h6-11H,12H2,1-3H3,(H2,25,26)/t21-/m0/s1 RJFGEEPBVTVJQR-NRFANRHFSA-N 476676 (S)-6-(9,9-Difluoro-6-(prop-1-yn-1-yl)- 9H-fluoren-3-yl)-2-imino-3,6- dimethyltetrahydropyrimidin-4(1H)-one::US10870635, Example 82 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476676&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641612 442076722 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988454 CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#N InChI=1S/C19H16N4OS/c1-19(9-17(24)23(2)18(21)22-19)12-4-6-16-14(8-12)13-7-11(10-20)3-5-15(13)25-16/h3-8H,9H2,1-2H3,(H2,21,22)/t19-/m0/s1 VGOAETJNCUTHJV-IBGZPJMESA-N 476677 (S)-8-(2-Imino-1,4-dimethyl-6- oxohexahydropyrimidin-4-yl) dibenzo[b,d]thiophene-2-carbonitrile::US10870635, Example 85 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647716 442076723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988455 COCC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C22H21N3O2S/c1-22(13-20(26)25(2)21(23)24-22)15-7-9-19-17(12-15)16-11-14(5-4-10-27-3)6-8-18(16)28-19/h6-9,11-12H,10,13H2,1-3H3,(H2,23,24)/t22-/m0/s1 SVJJCPJCDWYWOO-QFIPXVFZSA-N 476678 (S)-2-Imino-6-(8-(3-methoxyprop-1- yn-1-yl)dibenzo[b,d]thiophen-2-yl)-3,6- dimethyltetrahydropyrimidin-4(1H)- one::US10870635, Example 86 Beta-secretase 1 Homo sapiens 218 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476678&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641670 442076724 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988456 CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CCO InChI=1S/C21H19N3O2S/c1-21(12-19(26)24(2)20(22)23-21)14-6-8-18-16(11-14)15-10-13(4-3-9-25)5-7-17(15)27-18/h5-8,10-11,25H,9,12H2,1-2H3,(H2,22,23)/t21-/m0/s1 MTGMTYUQCPYYMZ-NRFANRHFSA-N 476679 (S)-6-(8-(3-Hydroxyprop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-2-imino-3,6- dimethyltetrahydropyrimidin-4(1H)- one::US10870635, Example 87 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476679&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641622 442076725 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988457 CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(Br)cc3c2c1 InChI=1S/C18H16BrN3OS/c1-18(9-16(23)22(2)17(20)21-18)10-3-5-14-12(7-10)13-8-11(19)4-6-15(13)24-14/h3-8H,9H2,1-2H3,(H2,20,21)/t18-/m0/s1 CQZXFAARULDROS-SFHVURJKSA-N 476680 (S)-6-(8-Bromodibenzo[b,d]thiophen- 2-yl)-2-imino-3,6-dimethyltetrahydro- pyrimidin-4(1H)-one::US10870635, Example 88 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476680&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641641 442076726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988458 CCCc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H23N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,4-5,12H2,1-3H3,(H2,22,23)/t21-/m0/s1 ODHJGITVUNMHKJ-NRFANRHFSA-N 476681 (S)-2-Imino-3,6-dimethyl-6-(8-propyl- dibenzo[b,d]thiophen-2-yl)tetrahydro- pyrimidin-4(1H)-one::US10870635, Example 89 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476681&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641675 442076727 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988459 CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C1CC1 InChI=1S/C21H21N3OS/c1-21(11-19(25)24(2)20(22)23-21)14-6-8-18-16(10-14)15-9-13(12-3-4-12)5-7-17(15)26-18/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23)/t21-/m0/s1 DENJMMZPAUEECX-NRFANRHFSA-N 476682 (S)-6-(8-Cyclopropyldibenzo[b,d] thiophen-2-yl)-2-imino-3,6-dimethyl- tetrahydropyrimidin-4(1H)-one::US10870635, Example 90 Beta-secretase 1 Homo sapiens 78.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647725 442076728 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988460 CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(N)=O InChI=1S/C19H18N4O2S/c1-19(9-16(24)23(2)18(21)22-19)11-4-6-15-13(8-11)12-7-10(17(20)25)3-5-14(12)26-15/h3-8H,9H2,1-2H3,(H2,20,25)(H2,21,22)/t19-/m0/s1 ROBXYRZNCQLYQR-IBGZPJMESA-N 476683 (S)-8-(2-Imino-1,4-dimethyl-6- oxohexahydropyrimidin-4-yl)dibenzo [b,d]thiophene-2-carboxamide::US10870635, Example 91 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647726 442076729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988461 CCN(CC)c1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C22H26N4OS/c1-5-26(6-2)15-8-10-19-17(12-15)16-11-14(7-9-18(16)28-19)22(3)13-20(27)25(4)21(23)24-22/h7-12H,5-6,13H2,1-4H3,(H2,23,24)/t22-/m0/s1 YLHQLLAHILJOTD-QFIPXVFZSA-N 476684 (S)-6-(8-(Diethylamino)dibenzo[b,d] thiophen-2-yl)-2-imino-3,6-dimethyl- tetrahydropyrimidin-4(1H)-one::US10870635, Example 92 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476684&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135222024 442076730 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988462 CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(F)(F)F InChI=1S/C19H16F3N3OS/c1-18(9-16(26)25(2)17(23)24-18)10-3-5-14-12(7-10)13-8-11(19(20,21)22)4-6-15(13)27-14/h3-8H,9H2,1-2H3,(H2,23,24)/t18-/m0/s1 DPXVUTUGNIOPIB-SFHVURJKSA-N 476685 (S)-2-Imino-3,6-dimethyl-6-(8-(trifluoro- methyl)dibenzo[b,d]thiophen-2-yl) tetrahydropyrimidin-4(1H)-one::US10870635, Example 94 Beta-secretase 1 Homo sapiens 81.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476685&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641603 442076731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988463 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@@]1(CC(=O)N(C)C(=N)N1)C1CC1 InChI=1S/C23H21N3OS/c1-3-4-14-5-9-19-17(11-14)18-12-16(8-10-20(18)28-19)23(15-6-7-15)13-21(27)26(2)22(24)25-23/h5,8-12,15H,6-7,13H2,1-2H3,(H2,24,25)/t23-/m1/s1 UDJZDQVQVXPDRT-HSZRJFAPSA-N 476686 (R)-6-Cyclopropyl-2-imino-3-methyl- 6-(8-(prop-1-yn-1-yl)dibenzo[b,d] thiophen-2-yl)tetrahydropyrimidin- 4(1H)-one::US10870635, Example 99 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476686&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135221990 442076732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988464 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@@]1(C)NC(=N)OCC1(F)F InChI=1S/C20H16F2N2OS/c1-3-4-12-5-7-16-14(9-12)15-10-13(6-8-17(15)26-16)19(2)20(21,22)11-25-18(23)24-19/h5-10H,11H2,1-2H3,(H2,23,24)/t19-/m1/s1 YZFSPSBGKUKIIH-LJQANCHMSA-N 476687 (R)-5,5-Difluoro-4-methyl-4-(8-(prop- 1-yn-1-yl)dibenzo[b,d]thiophen-2-yl)- 1,3-oxazinan-2-imine::US10870635, Example 100 Beta-secretase 1 Homo sapiens 202 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641640 442076733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988465 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1 TYFDPTNOAQWDOO-QFIPXVFZSA-N 476688 (R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)dibenzo[b,d]thiophen- 2-yl)thiomorpholine 1,1-dioxide::US10870635, Example 103 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641645 442076734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988467 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 InChI=1S/C20H19N3O2S2/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)20(2)12-27(24,25)23(3)19(21)22-20/h6-11H,12H2,1-3H3,(H2,21,22)/t20-/m0/s1 IHSBXFYIRGZLBH-FQEVSTJZSA-N 476689 (R)-3-Imino-2,5-dimethyl-5-(8-(prop- 1-yn-1-yl)dibenzo[b,d]thiophen-2-yl)- 1,2,4-thiadiazinane 1,1-dioxide::US10870635, Example 104 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647853 442076735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988468 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(CC(F)F)C(=N)N1 InChI=1S/C22H19F2N3OS/c1-3-4-13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)22(2)11-20(28)27(12-19(23)24)21(25)26-22/h5-10,19H,11-12H2,1-2H3,(H2,25,26)/t22-/m0/s1 WOTUUUZFIWUIGA-QFIPXVFZSA-N 476690 (S)-3-(2,2-Difluoroethyl)-2-imino-6- methyl-6-(8-(prop-1-yn-1-yl)dibenzo [b,d]thiophen-2-yl)tetrahydropyrimidin- 4(1H)-one::US10870635, Example 105 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641684 442076736 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988469 COCCN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CC InChI=1S/C23H23N3O2S/c1-4-5-15-6-8-19-17(12-15)18-13-16(7-9-20(18)29-19)23(2)14-21(27)26(10-11-28-3)22(24)25-23/h6-9,12-13H,10-11,14H2,1-3H3,(H2,24,25)/t23-/m0/s1 MRVOXMFCXREREJ-QHCPKHFHSA-N 476691 (S)-2-Imino-3-(2-methoxyethyl)-6- methyl-6-(8-(prop-1-yn-1-yl)dibenzo[b,d] thiophen-2-yl)tetrahydropyrimidin- 4(1H)-one::US10870635, Example 106 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641643 442076737 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988470 CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1 KGKREPAGYWRXPP-QFIPXVFZSA-N 476692 (R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-3-imino- 2,2,5-trimethylthiomorpholine 1,1-dioxide::US10870635, Example 109 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641656 442076738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988472 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CN(C)C(=O)C(=N)N1 InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-24(3)20(25)19(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1 KWRKQLLZTAYYTI-NRFANRHFSA-N 476693 (R)-3-Imino-1,5-dimethyl-5-(8-(prop- 1-yn-1-yl)dibenzo[b,d]thiophen-2-yl) piperazin-2-one::US10870635, Example 115 Beta-secretase 1 Homo sapiens >300 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122647896 442076739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988473 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1 NUBQUFYKLJMNAI-NRFANRHFSA-N 476660 (S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dibenzo[b,d]thiophen-2- yl)tetrahydropyrimidin-4(1H)-one::US10870635, Example 1 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476660&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641635 442076706 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988475 CC#Cc1ccc2sc3cc(Cl)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C21H18ClN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1 AYIUXAXCNVTPTC-NRFANRHFSA-N 476694 (S)-6-(3-Chloro-8-(prop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-2-imino-3,6- dimethyltetrahydropyrimidin-4(1H)-one::US10870635, Example 71 Beta-secretase 1 Homo sapiens 44.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641653 442076740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988477 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1 TYFDPTNOAQWDOO-QFIPXVFZSA-N 476688 (R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)dibenzo[b,d]thiophen- 2-yl)thiomorpholine 1,1-dioxide::US10870635, Example 103 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641645 442076734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988479 CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1 KGKREPAGYWRXPP-QFIPXVFZSA-N 476692 (R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thiophen-2-yl)-3-imino- 2,2,5-trimethylthiomorpholine 1,1-dioxide::US10870635, Example 109 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641656 442076738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 988481 CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1 TYFDPTNOAQWDOO-QFIPXVFZSA-N 476688 (R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)dibenzo[b,d]thiophen- 2-yl)thiomorpholine 1,1-dioxide::US10870635, Example 103 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2474DXV aid1805131 US10870635 Cherukury, M; Lin, H; Yu, SC; Phang, R; Rajan, YC; Tang-Liu, DD; White, AD; Malone, T; Beresis, R ALLGENESIS BIOTHERAPEUTICS, INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122641645 442076734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347649 C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 HMMWZIDNPYYZHM-KRWDZBQOSA-N 50545174 CHEMBL4637181 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011346 442110985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347650 C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 HMMWZIDNPYYZHM-KRWDZBQOSA-N 50545174 CHEMBL4637181 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011346 442110985 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347654 NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H16F5N5O2/c19-8-17(3-4-18(22,23)16(24)28-17)11-5-10(1-2-12(11)21)27-15(29)13-6-26-14(7-25-13)30-9-20/h1-2,5-7H,3-4,8-9H2,(H2,24,28)(H,27,29)/t17-/m1/s1 JAHKMCQBZQTJIC-QGZVFWFLSA-N 50545175 CHEMBL4643511 Beta-secretase 1 Homo sapiens 8.9 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156017905 442110986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347655 NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H16F5N5O2/c19-8-17(3-4-18(22,23)16(24)28-17)11-5-10(1-2-12(11)21)27-15(29)13-6-26-14(7-25-13)30-9-20/h1-2,5-7H,3-4,8-9H2,(H2,24,28)(H,27,29)/t17-/m1/s1 JAHKMCQBZQTJIC-QGZVFWFLSA-N 50545175 CHEMBL4643511 Beta-secretase 1 Homo sapiens 93 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156017905 442110986 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347664 NC1=N[C@]2(COCC[C@H]2CC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O3/c21-10-32-16-8-26-15(7-27-16)17(30)28-12-1-2-14(22)13(5-12)19-9-31-4-3-11(19)6-20(23,24)18(25)29-19/h1-2,5,7-8,11H,3-4,6,9-10H2,(H2,25,29)(H,28,30)/t11-,19-/m0/s1 HPFYCMCPLABMMZ-WLRWDXFRSA-N 50545176 CHEMBL4637358 Beta-secretase 1 Homo sapiens 3.5 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011363 442110987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347665 NC1=N[C@]2(COCC[C@H]2CC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O3/c21-10-32-16-8-26-15(7-27-16)17(30)28-12-1-2-14(22)13(5-12)19-9-31-4-3-11(19)6-20(23,24)18(25)29-19/h1-2,5,7-8,11H,3-4,6,9-10H2,(H2,25,29)(H,28,30)/t11-,19-/m0/s1 HPFYCMCPLABMMZ-WLRWDXFRSA-N 50545176 CHEMBL4637358 Beta-secretase 1 Homo sapiens 7.1 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156011363 442110987 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347669 NC1=N[C@]2(CCOC[C@H]2CC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O3/c21-10-32-16-8-26-15(7-27-16)17(30)28-12-1-2-14(22)13(5-12)19-3-4-31-9-11(19)6-20(23,24)18(25)29-19/h1-2,5,7-8,11H,3-4,6,9-10H2,(H2,25,29)(H,28,30)/t11-,19+/m1/s1 CLJYRTSUHFRECZ-WYRIXSBYSA-N 50545177 CHEMBL4635770 Beta-secretase 1 Homo sapiens 79 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156014061 442110988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347670 NC1=N[C@]2(CCOC[C@H]2CC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H19F4N5O3/c21-10-32-16-8-26-15(7-27-16)17(30)28-12-1-2-14(22)13(5-12)19-3-4-31-9-11(19)6-20(23,24)18(25)29-19/h1-2,5,7-8,11H,3-4,6,9-10H2,(H2,25,29)(H,28,30)/t11-,19+/m1/s1 CLJYRTSUHFRECZ-WYRIXSBYSA-N 50545177 CHEMBL4635770 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545177&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 156014061 442110988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347674 C[C@H]1C[C@H]2CC(F)(F)C(N)=N[C@]2(CO1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H21F4N5O3/c1-11-4-12-6-21(24,25)19(26)30-20(12,9-32-11)14-5-13(2-3-15(14)23)29-18(31)16-7-28-17(8-27-16)33-10-22/h2-3,5,7-8,11-12H,4,6,9-10H2,1H3,(H2,26,30)(H,29,31)/t11-,12-,20-/m0/s1 QQHWYFAIJDVZQX-PVUDRZGPSA-N 50545178 CHEMBL4648883 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146673158 442110989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51347675 C[C@H]1C[C@H]2CC(F)(F)C(N)=N[C@]2(CO1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H21F4N5O3/c1-11-4-12-6-21(24,25)19(26)30-20(12,9-32-11)14-5-13(2-3-15(14)23)29-18(31)16-7-28-17(8-27-16)33-10-22/h2-3,5,7-8,11-12H,4,6,9-10H2,1H3,(H2,26,30)(H,29,31)/t11-,12-,20-/m0/s1 QQHWYFAIJDVZQX-PVUDRZGPSA-N 50545178 CHEMBL4648883 Beta-secretase 1 Homo sapiens 3.5 ChEMBL 10.1016/j.bmcl.2020.126999 10.7270/Q2W95DRH 32089426 Peschiulli, A; Oehlrich, D; Rombouts, F; Vos, A; Gijsen, HJ Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146673158 442110989 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993937 C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cc(N)ccc1F InChI=1S/C14H17F2N3OS/c1-8-5-13(16)7-21-12(18)19-14(13,6-20-8)10-4-9(17)2-3-11(10)15/h2-4,8H,5-7,17H2,1H3,(H2,18,19)/t8-,13+,14+/m0/s1 BWHNDUCDIKZMHW-MCCGJVOXSA-N 478024 US10889595, Example 7 Beta-secretase 1 Homo sapiens 5870 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478024&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141510882 442137638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993938 C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H19ClF2N4O2S/c1-11-7-19(23)10-30-18(24)27-20(19,9-29-11)14-6-13(3-4-15(14)22)26-17(28)16-5-2-12(21)8-25-16/h2-6,8,11H,7,9-10H2,1H3,(H2,24,27)(H,26,28)/t11-,19+,20+/m0/s1 ZTSZFNDINYJUAN-JJFKOLPGSA-N 478033 US10889595, Example 11 Beta-secretase 1 Homo sapiens 172 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478033&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141510874 442137647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993939 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@@]1(F)CSC(N)=N2 InChI=1S/C20H21F2N5O3S/c1-11-6-19(22)10-31-18(23)27-20(19,9-30-11)13-5-12(3-4-14(13)21)26-17(28)15-7-25-16(29-2)8-24-15/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,23,27)(H,26,28)/t11-,19+,20+/m0/s1 LATMGUVNNRXVIE-JJFKOLPGSA-N 478047 US10889595, Example 12 Beta-secretase 1 Homo sapiens 150 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478047&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142391450 442137660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993940 C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 InChI=1S/C20H20ClFN4O2S/c1-12-8-19(22)11-29-18(23)26-20(19,10-28-12)13-3-2-4-15(7-13)25-17(27)16-6-5-14(21)9-24-16/h2-7,9,12H,8,10-11H2,1H3,(H2,23,26)(H,25,27)/t12-,19+,20+/m0/s1 MWACLOOPVJVJHF-NXXCRTJYSA-N 478048 US10889595, Example 13 Beta-secretase 1 Homo sapiens 213 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478048&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141510883 442137661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993941 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]12CO[C@@H](C)C[C@@]1(F)CSC(N)=N2 InChI=1S/C20H22FN5O3S/c1-12-7-19(21)11-30-18(22)26-20(19,10-29-12)13-4-3-5-14(6-13)25-17(27)15-8-24-16(28-2)9-23-15/h3-6,8-9,12H,7,10-11H2,1-2H3,(H2,22,26)(H,25,27)/t12-,19+,20+/m0/s1 KXZKQRZGHQPHEE-NXXCRTJYSA-N 478049 US10889595, Example 14 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478049&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141510873 442137662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993942 C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cccc(NC(=O)c2cnc(C)cn2)c1 InChI=1S/C20H22FN5O2S/c1-12-8-24-16(9-23-12)17(27)25-15-5-3-4-14(6-15)20-10-28-13(2)7-19(20,21)11-29-18(22)26-20/h3-6,8-9,13H,7,10-11H2,1-2H3,(H2,22,26)(H,25,27)/t13-,19+,20+/m0/s1 SBYUXGFZJOMCIZ-CJMONDIMSA-N 478050 US10889595, Example 15 Beta-secretase 1 Homo sapiens 225 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478050&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 141510884 442137663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 993943 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29+/m1/s1 VPNIQGRFZCTBEZ-AUDJAPFVSA-N 478051 US10889595, Control Example (Control sample B-Secretase inhibitor IV)::US11091444, Compound BACE IV Beta-secretase 1 Homo sapiens 266 US Patent 10.7270/Q2GB2759 aid1805181 US10889595 Wu, Y; Liang, A; Niu, C; Geng, Y; Li, J TETRANOV PHARMACEUTICAL CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=478051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=478051&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 146223006 442137664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009882 FC(F)[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C26H18BrF4N3O2/c27-16-7-9-21(32-13-16)20(29)11-14-6-8-19(28)17(10-14)26(24(30)31)18-12-22(18)36-25(34-26)33-23(35)15-4-2-1-3-5-15/h1-11,13,18,22,24H,12H2,(H,33,34,35)/b20-11-/t18-,22+,26+/m0/s1 UQYCJCZVFRGSHT-OSQABBHOSA-N 486434 (1R,5S,6R)-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10947223, Example 100 Beta-secretase 1 Homo sapiens 257 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125200 444856410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009883 FC(F)[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C26H18BrF4N3O2/c27-16-7-9-21(32-13-16)20(29)11-14-6-8-19(28)17(10-14)26(24(30)31)18-12-22(18)36-25(34-26)33-23(35)15-4-2-1-3-5-15/h1-11,13,18,22,24H,12H2,(H,33,34,35)/b20-11-/t18-,22+,26+/m0/s1 UQYCJCZVFRGSHT-OSQABBHOSA-N 486434 (1R,5S,6R)-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10947223, Example 100 Beta-secretase 1 Homo sapiens 948 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486434&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125200 444856410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009886 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H14ClF4N3O/c20-10-2-4-15(26-8-10)14(22)6-9-1-3-13(21)11(5-9)19(17(23)24)12-7-16(12)28-18(25)27-19/h1-6,8,12,16-17H,7H2,(H2,25,27)/b14-6-/t12-,16+,19+/m0/s1 YFHYGSFFXCLGBK-SUDDELGHSA-N 486435 (1R,5S,6R)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10947223, Example 101 Beta-secretase 1 Homo sapiens 954 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125180 444856411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009887 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H14ClF4N3O/c20-10-2-4-15(26-8-10)14(22)6-9-1-3-13(21)11(5-9)19(17(23)24)12-7-16(12)28-18(25)27-19/h1-6,8,12,16-17H,7H2,(H2,25,27)/b14-6-/t12-,16+,19+/m0/s1 YFHYGSFFXCLGBK-SUDDELGHSA-N 486435 (1R,5S,6R)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10947223, Example 101 Beta-secretase 1 Homo sapiens 1120 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486435&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125180 444856411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009890 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H14F4N4O/c21-14-3-1-10(6-15(22)16-4-2-11(8-25)9-27-16)5-12(14)20(18(23)24)13-7-17(13)29-19(26)28-20/h1-6,9,13,17-18H,7H2,(H2,26,28)/b15-6-/t13-,17+,20+/m0/s1 ZIGJKNSPSNZHBM-SCRWAHJHSA-N 486436 6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 102 Beta-secretase 1 Homo sapiens 152 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125178 444856412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009891 NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H14F4N4O/c21-14-3-1-10(6-15(22)16-4-2-11(8-25)9-27-16)5-12(14)20(18(23)24)13-7-17(13)29-19(26)28-20/h1-6,9,13,17-18H,7H2,(H2,26,28)/b15-6-/t13-,17+,20+/m0/s1 ZIGJKNSPSNZHBM-SCRWAHJHSA-N 486436 6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 102 Beta-secretase 1 Homo sapiens 344 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486436&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125178 444856412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009894 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H17ClF5N3O/c1-18(10-30-19(2,17(27)29-18)20(24,25)26)13-7-11(3-5-14(13)22)8-15(23)16-6-4-12(21)9-28-16/h3-9H,10H2,1-2H3,(H2,27,29)/b15-8-/t18-,19+/m0/s1 NUQAAASQOFLUMN-RNAGXQGASA-N 486437 (2R,5R)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 103 Beta-secretase 1 Homo sapiens 65.0 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124663 444856413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009895 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H17ClF5N3O/c1-18(10-30-19(2,17(27)29-18)20(24,25)26)13-7-11(3-5-14(13)22)8-15(23)16-6-4-12(21)9-28-16/h3-9H,10H2,1-2H3,(H2,27,29)/b15-8-/t18-,19+/m0/s1 NUQAAASQOFLUMN-RNAGXQGASA-N 486437 (2R,5R)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 103 Beta-secretase 1 Homo sapiens 693 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486437&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124663 444856413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009898 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F5N4O/c1-19(11-31-20(2,18(28)30-19)21(24,25)26)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(9-27)10-29-17/h3-8,10H,11H2,1-2H3,(H2,28,30)/b16-8-/t19-,20+/m0/s1 XROVXQIOOHYIEI-QMBGAUKWSA-N 486438 6-((Z)-2-(3-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 104 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124644 444856414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009899 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F5N4O/c1-19(11-31-20(2,18(28)30-19)21(24,25)26)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(9-27)10-29-17/h3-8,10H,11H2,1-2H3,(H2,28,30)/b16-8-/t19-,20+/m0/s1 XROVXQIOOHYIEI-QMBGAUKWSA-N 486438 6-((Z)-2-(3-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 104 Beta-secretase 1 Homo sapiens 152 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486438&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124644 444856414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009902 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)13-5-11(3-4-14(13)21)6-15(22)16-9-28-12(7-26)8-29-16/h3-6,8-9H,10H2,1-2H3,(H2,27,30)/b15-6-/t18-,19+/m0/s1 MRJDCHZAQCMNRN-DRRIMPMXSA-N 486439 5-((Z)-2-(3-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10947223, Example 105 Beta-secretase 1 Homo sapiens 46.0 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125057 444856415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009903 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)13-5-11(3-4-14(13)21)6-15(22)16-9-28-12(7-26)8-29-16/h3-6,8-9H,10H2,1-2H3,(H2,27,30)/b15-6-/t18-,19+/m0/s1 MRJDCHZAQCMNRN-DRRIMPMXSA-N 486439 5-((Z)-2-(3-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10947223, Example 105 Beta-secretase 1 Homo sapiens 130 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486439&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125057 444856415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009906 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C22H19F9N4O2/c1-19(9-37-20(2,18(32)35-19)22(29,30)31)12-5-11(3-4-13(12)23)6-14(24)15-7-34-16(8-33-15)36-10-21(27,28)17(25)26/h3-8,17H,9-10H2,1-2H3,(H2,32,35)/b14-6-/t19-,20+/m0/s1 ZOVHIIZTAZMGBH-MUWWNJSCSA-N 486441 (2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl)vinyl)phenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 106 Beta-secretase 1 Homo sapiens 666 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135140604 444856417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009907 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C22H19F9N4O2/c1-19(9-37-20(2,18(32)35-19)22(29,30)31)12-5-11(3-4-13(12)23)6-14(24)15-7-34-16(8-33-15)36-10-21(27,28)17(25)26/h3-8,17H,9-10H2,1-2H3,(H2,32,35)/b14-6-/t19-,20+/m0/s1 ZOVHIIZTAZMGBH-MUWWNJSCSA-N 486441 (2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl)vinyl)phenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 106 Beta-secretase 1 Homo sapiens 4130 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486441&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135140604 444856417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009910 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/m0/s1 XPGZWNDZVXGPSB-MUKCZTLISA-N 486442 (2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 107 Beta-secretase 1 Homo sapiens 50.0 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125133 444856418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009911 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/m0/s1 XPGZWNDZVXGPSB-MUKCZTLISA-N 486442 (2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 107 Beta-secretase 1 Homo sapiens 112 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486442&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125133 444856418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009914 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H16ClF5N4O/c1-17(9-30-18(2,16(26)29-17)19(23,24)25)11-5-10(3-4-12(11)21)6-13(22)14-7-28-15(20)8-27-14/h3-8H,9H2,1-2H3,(H2,26,29)/b13-6-/t17-,18+/m0/s1 GNGCALJQBOTLAV-JXSYVVILSA-N 486443 (2R,5R)-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 108 Beta-secretase 1 Homo sapiens 118 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125651 444856419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009915 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H16ClF5N4O/c1-17(9-30-18(2,16(26)29-17)19(23,24)25)11-5-10(3-4-12(11)21)6-13(22)14-7-28-15(20)8-27-14/h3-8H,9H2,1-2H3,(H2,26,29)/b13-6-/t17-,18+/m0/s1 GNGCALJQBOTLAV-JXSYVVILSA-N 486443 (2R,5R)-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 108 Beta-secretase 1 Homo sapiens 663 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125651 444856419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009918 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F5N4O2/c1-20(18(10-31-19(28)30-20)32-11-21(24,25)26)14-6-12(2-4-15(14)22)7-16(23)17-5-3-13(8-27)9-29-17/h2-7,9,18H,10-11H2,1H3,(H2,28,30)/b16-7-/t18-,20+/m0/s1 AEKYEHPSMXADSM-AWVLJADFSA-N 486444 6-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 109 Beta-secretase 1 Homo sapiens 125 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124643 444856420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009919 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F5N4O2/c1-20(18(10-31-19(28)30-20)32-11-21(24,25)26)14-6-12(2-4-15(14)22)7-16(23)17-5-3-13(8-27)9-29-17/h2-7,9,18H,10-11H2,1H3,(H2,28,30)/b16-7-/t18-,20+/m0/s1 AEKYEHPSMXADSM-AWVLJADFSA-N 486444 6-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 109 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486444&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124643 444856420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009922 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/m0/s1 BBZZNAFTKLSHGA-OTEYBFNZSA-N 486445 (4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 110 Beta-secretase 1 Homo sapiens 341 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124648 444856421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009923 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/m0/s1 BBZZNAFTKLSHGA-OTEYBFNZSA-N 486445 (4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 110 Beta-secretase 1 Homo sapiens 90.0 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486445&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124648 444856421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009926 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H19F5N4O3/c1-3-6-32-19-10-29-17(9-30-19)16(24)8-13-4-5-15(23)14(7-13)21(2)18(11-33-20(28)31-21)34-12-22(25,26)27/h1,4-5,7-10,18H,6,11-12H2,2H3,(H2,28,31)/b16-8-/t18-,21+/m0/s1 RLJOHVXPNJRKIC-NEOMVKBGSA-N 486446 (4R,5R)-4-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 111 Beta-secretase 1 Homo sapiens 152 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125300 444856422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009927 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H19F5N4O3/c1-3-6-32-19-10-29-17(9-30-19)16(24)8-13-4-5-15(23)14(7-13)21(2)18(11-33-20(28)31-21)34-12-22(25,26)27/h1,4-5,7-10,18H,6,11-12H2,2H3,(H2,28,31)/b16-8-/t18-,21+/m0/s1 RLJOHVXPNJRKIC-NEOMVKBGSA-N 486446 (4R,5R)-4-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 111 Beta-secretase 1 Homo sapiens 59.0 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486446&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125300 444856422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009930 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1 PXTDXZZUHWYXNV-NCZAMSSJSA-N 486448 5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10947223, Example 112 Beta-secretase 1 Homo sapiens 119 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124768 444856424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009931 C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1 PXTDXZZUHWYXNV-NCZAMSSJSA-N 486448 5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10947223, Example 112 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124768 444856424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009934 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1OCC(F)(F)F InChI=1S/C23H21F5N4O3/c1-3-4-7-33-20-11-30-18(10-31-20)17(25)9-14-5-6-16(24)15(8-14)22(2)19(12-34-21(29)32-22)35-13-23(26,27)28/h5-6,8-11,19H,7,12-13H2,1-2H3,(H2,29,32)/b17-9-/t19-,22+/m0/s1 IFNHJKPKRKKIEM-NAJJKHMUSA-N 486449 (4R,5R)-4-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 113 Beta-secretase 1 Homo sapiens 52.0 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124968 444856425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009935 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1OCC(F)(F)F InChI=1S/C23H21F5N4O3/c1-3-4-7-33-20-11-30-18(10-31-20)17(25)9-14-5-6-16(24)15(8-14)22(2)19(12-34-21(29)32-22)35-13-23(26,27)28/h5-6,8-11,19H,7,12-13H2,1-2H3,(H2,29,32)/b17-9-/t19-,22+/m0/s1 IFNHJKPKRKKIEM-NAJJKHMUSA-N 486449 (4R,5R)-4-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 113 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486449&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124968 444856425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009938 C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F4N4O/c1-18(19(22,23)10-28-17(25)27-18)13-6-11(2-4-14(13)20)7-15(21)16-5-3-12(8-24)9-26-16/h2-7,9H,10H2,1H3,(H2,25,27)/b15-7-/t18-/m1/s1 VGRLDTRYWIJIQU-CFQIGZHASA-N 486450 (R,Z)-6-(2-(3-(2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 114 Beta-secretase 1 Homo sapiens 256 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124975 444856426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009939 C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H14F4N4O/c1-18(19(22,23)10-28-17(25)27-18)13-6-11(2-4-14(13)20)7-15(21)16-5-3-12(8-24)9-26-16/h2-7,9H,10H2,1H3,(H2,25,27)/b15-7-/t18-/m1/s1 VGRLDTRYWIJIQU-CFQIGZHASA-N 486450 (R,Z)-6-(2-(3-(2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 114 Beta-secretase 1 Homo sapiens 2660 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486450&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124975 444856426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009942 C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H16F4N4O2/c1-3-6-29-17-10-26-16(9-27-17)15(22)8-12-4-5-14(21)13(7-12)19(2)20(23,24)11-30-18(25)28-19/h1,4-5,7-10H,6,11H2,2H3,(H2,25,28)/b15-8-/t19-/m1/s1 XLKHOYHEXCDRDK-MPCIYJAUSA-N 486451 (R,Z)-5,5-difluoro-4-(2-fluoro-5-(2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 115 Beta-secretase 1 Homo sapiens 283 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125005 444856427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009943 C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H16F4N4O2/c1-3-6-29-17-10-26-16(9-27-17)15(22)8-12-4-5-14(21)13(7-12)19(2)20(23,24)11-30-18(25)28-19/h1,4-5,7-10H,6,11H2,2H3,(H2,25,28)/b15-8-/t19-/m1/s1 XLKHOYHEXCDRDK-MPCIYJAUSA-N 486451 (R,Z)-5,5-difluoro-4-(2-fluoro-5-(2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 115 Beta-secretase 1 Homo sapiens 4665 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486451&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125005 444856427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009946 C[C@@]1(N=C(N)COC1(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H13F4N5O/c1-17(18(21,22)28-9-15(24)27-17)16-12(19)4-3-11(26-16)6-13(20)14-5-2-10(7-23)8-25-14/h2-6,8H,9H2,1H3,(H2,24,27)/b13-6-/t17-/m1/s1 XKISFSYPMCLKGB-YBSJANCESA-N 486452 (R,Z)-6-(2-(6-(2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 116 Beta-secretase 1 Homo sapiens 1050 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 149231299 444856428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009947 C[C@@]1(N=C(N)COC1(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H13F4N5O/c1-17(18(21,22)28-9-15(24)27-17)16-12(19)4-3-11(26-16)6-13(20)14-5-2-10(7-23)8-25-14/h2-6,8H,9H2,1H3,(H2,24,27)/b13-6-/t17-/m1/s1 XKISFSYPMCLKGB-YBSJANCESA-N 486452 (R,Z)-6-(2-(6-(2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 116 Beta-secretase 1 Homo sapiens 676 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 149231299 444856428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009950 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)16-13(21)5-4-12(29-16)7-14(22)15-6-3-11(8-26)9-28-15/h3-7,9H,10H2,1-2H3,(H2,27,30)/b14-7-/t18-,19+/m0/s1 MYSYGHGDPRBXTH-CFVWZZDWSA-N 486453 6-((Z)-2-(6-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-5-fluoropyridin-2-yl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 117 Beta-secretase 1 Homo sapiens 149 US Patent 10.7270/Q2VX0KMS aid1805353 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125292 444856429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1009951 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)16-13(21)5-4-12(29-16)7-14(22)15-6-3-11(8-26)9-28-15/h3-7,9H,10H2,1-2H3,(H2,27,30)/b14-7-/t18-,19+/m0/s1 MYSYGHGDPRBXTH-CFVWZZDWSA-N 486453 6-((Z)-2-(6-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-5-fluoropyridin-2-yl)-1-fluorovinyl)nicotinonitrile::US10947223, Example 117 Beta-secretase 1 Homo sapiens 90.0 US Patent 10.7270/Q2VX0KMS aid1805354 US10947223 Allen, JR; Bourbeau, MP; Chen, N; Frohn, MJ; Harrington, PE; Liu, Q; Reeves, C Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=486453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=486453&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125292 444856429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044107 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3CCCOc3cn2)ccc1F InChI=1S/C21H22F2N4O3S/c1-21(12-31(28,29)27(2)20(24)26-21)15-8-13(5-6-16(15)22)9-17(23)18-10-14-4-3-7-30-19(14)11-25-18/h5-6,8-11H,3-4,7,12H2,1-2H3,(H2,24,26)/b17-9-/t21-/m0/s1 RWGILFQBVCWEPP-YWUCYRDRSA-N 501320 US11021493, Example 239 Beta-secretase 1 Homo sapiens 1022 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125928 459086660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044110 CN1C(=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C InChI=1S/C28H33F3N4O6S/c1-26(2,3)40-24(36)35(25(37)41-27(4,5)6)23-33-28(7,16-42(38,39)34(23)8)19-13-17(9-11-20(19)30)14-21(31)22-12-10-18(29)15-32-22/h9-15H,16H2,1-8H3/b21-14-/t28-/m0/s1 PYFGTSPGBKDYSE-JGIZHUKKSA-N 501321 US11021493, Example 240 Beta-secretase 1 Homo sapiens 34.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154601227 459086661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044111 CN1C(=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C InChI=1S/C28H33F3N4O6S/c1-26(2,3)40-24(36)35(25(37)41-27(4,5)6)23-33-28(7,16-42(38,39)34(23)8)19-13-17(9-11-20(19)30)14-21(31)22-12-10-18(29)15-32-22/h9-15H,16H2,1-8H3/b21-14-/t28-/m0/s1 PYFGTSPGBKDYSE-JGIZHUKKSA-N 501321 US11021493, Example 240 Beta-secretase 1 Homo sapiens 67.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154601227 459086661 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044114 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C18H19F2N5O3S/c1-18(10-29(26,27)25(2)17(21)24-18)12-6-11(4-5-13(12)19)7-14(20)15-8-23-16(28-3)9-22-15/h4-9H,10H2,1-3H3,(H2,21,24)/b14-7-/t18-/m0/s1 QHUCNZSOEORCHE-WMBZCPDOSA-N 501322 US11021493, Example 241 Beta-secretase 1 Homo sapiens 107 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126128 459086662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044115 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C18H19F2N5O3S/c1-18(10-29(26,27)25(2)17(21)24-18)12-6-11(4-5-13(12)19)7-14(20)15-8-23-16(28-3)9-22-15/h4-9H,10H2,1-3H3,(H2,21,24)/b14-7-/t18-/m0/s1 QHUCNZSOEORCHE-WMBZCPDOSA-N 501322 US11021493, Example 241 Beta-secretase 1 Homo sapiens 168 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126128 459086662 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044118 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H16ClF5N4O2S/c1-18(9-32(30,31)29(2)17(26)28-18)12-5-10(3-4-14(12)21)6-15(22)16-13(20)7-11(8-27-16)19(23,24)25/h3-8H,9H2,1-2H3,(H2,26,28)/b15-6-/t18-/m0/s1 FETNHRVYDCSXRL-HMMSMWIJSA-N 501323 US11021493, Example 242 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126398 459086663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044119 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H16ClF5N4O2S/c1-18(9-32(30,31)29(2)17(26)28-18)12-5-10(3-4-14(12)21)6-15(22)16-13(20)7-11(8-27-16)19(23,24)25/h3-8H,9H2,1-2H3,(H2,26,28)/b15-6-/t18-/m0/s1 FETNHRVYDCSXRL-HMMSMWIJSA-N 501323 US11021493, Example 242 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126398 459086663 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044122 CCOC(=O)COc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C21H22F3N5O5S/c1-4-33-18(30)10-34-17-9-26-16(8-27-17)14(22)6-12-5-13(19(24)15(23)7-12)21(2)11-35(31,32)29(3)20(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)/b14-6-/t21-/m0/s1 BGOOUINKRUJXDU-XLPSYMGOSA-N 501324 US11021493, Example 243 Beta-secretase 1 Homo sapiens 113 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142379324 459086664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044123 CCOC(=O)COc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C21H22F3N5O5S/c1-4-33-18(30)10-34-17-9-26-16(8-27-17)14(22)6-12-5-13(19(24)15(23)7-12)21(2)11-35(31,32)29(3)20(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)/b14-6-/t21-/m0/s1 BGOOUINKRUJXDU-XLPSYMGOSA-N 501324 US11021493, Example 243 Beta-secretase 1 Homo sapiens 856 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142379324 459086664 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044126 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H17F5N4O2S/c1-18(10-31(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27)/b15-8-/t18-/m0/s1 QLUBOEZPYLJTTP-ODZYNRFZSA-N 501325 US11021493, Example 244 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125885 459086665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044127 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C19H17F5N4O2S/c1-18(10-31(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27)/b15-8-/t18-/m0/s1 QLUBOEZPYLJTTP-ODZYNRFZSA-N 501325 US11021493, Example 244 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501325&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125885 459086665 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044130 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2C)C#N)ccc1F InChI=1S/C20H19F2N5O2S/c1-12-6-14(9-23)10-25-18(12)17(22)8-13-4-5-16(21)15(7-13)20(2)11-30(28,29)27(3)19(24)26-20/h4-8,10H,11H2,1-3H3,(H2,24,26)/b17-8-/t20-/m0/s1 JGFHZPDIRDNOAS-MBNKTHEGSA-N 501326 US11021493, Example 245 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125745 459086666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044131 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2C)C#N)ccc1F InChI=1S/C20H19F2N5O2S/c1-12-6-14(9-23)10-25-18(12)17(22)8-13-4-5-16(21)15(7-13)20(2)11-30(28,29)27(3)19(24)26-20/h4-8,10H,11H2,1-3H3,(H2,24,26)/b17-8-/t20-/m0/s1 JGFHZPDIRDNOAS-MBNKTHEGSA-N 501326 US11021493, Example 245 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501326&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125745 459086666 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044134 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncc(C)o3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O4S/c1-12-7-28-19(35-12)10-34-18-9-27-17(8-29-18)15(23)5-13-4-14(20(25)16(24)6-13)22(2)11-36(32,33)31(3)21(26)30-22/h4-9H,10-11H2,1-3H3,(H2,26,30)/b15-5-/t22-/m0/s1 IMDFYPDEKRNNRW-JARJPIKVSA-N 501327 US11021493, Example 246 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125763 459086667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044135 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncc(C)o3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O4S/c1-12-7-28-19(35-12)10-34-18-9-27-17(8-29-18)15(23)5-13-4-14(20(25)16(24)6-13)22(2)11-36(32,33)31(3)21(26)30-22/h4-9H,10-11H2,1-3H3,(H2,26,30)/b15-5-/t22-/m0/s1 IMDFYPDEKRNNRW-JARJPIKVSA-N 501327 US11021493, Example 246 Beta-secretase 1 Homo sapiens 36.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501327&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125763 459086667 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044138 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C18H17BrF2N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1 UBXLUDVBTXDSQS-ODZYNRFZSA-N 501328 US11021493, Example 247::US11021493, Example 251 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126437 459086668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044139 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C18H17BrF2N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1 UBXLUDVBTXDSQS-ODZYNRFZSA-N 501328 US11021493, Example 247::US11021493, Example 251 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126437 459086668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044142 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C22H21F2N5O2S/c1-22(13-32(30,31)29(2)21(25)28-22)17-9-15(6-8-18(17)23)10-19(24)20-12-26-16(11-27-20)7-5-14-3-4-14/h6,8-12,14H,3-4,13H2,1-2H3,(H2,25,28)/b19-10-/t22-/m0/s1 XWNKXBFCNACQCF-BQHBEAIMSA-N 501329 US11021493, Example 248 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125909 459086669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044143 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F InChI=1S/C22H21F2N5O2S/c1-22(13-32(30,31)29(2)21(25)28-22)17-9-15(6-8-18(17)23)10-19(24)20-12-26-16(11-27-20)7-5-14-3-4-14/h6,8-12,14H,3-4,13H2,1-2H3,(H2,25,28)/b19-10-/t22-/m0/s1 XWNKXBFCNACQCF-BQHBEAIMSA-N 501329 US11021493, Example 248 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501329&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125909 459086669 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044146 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nccn3C)cn2)cc(F)c1F InChI=1S/C22H22F3N7O3S/c1-22(12-36(33,34)32(3)21(26)30-22)14-6-13(8-16(24)20(14)25)7-15(23)17-9-29-19(10-28-17)35-11-18-27-4-5-31(18)2/h4-10H,11-12H2,1-3H3,(H2,26,30)/b15-7-/t22-/m0/s1 JWGDWCRPFMLANW-AELLWPAVSA-N 501330 US11021493, Example 249 Beta-secretase 1 Homo sapiens 682 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126277 459086670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044147 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nccn3C)cn2)cc(F)c1F InChI=1S/C22H22F3N7O3S/c1-22(12-36(33,34)32(3)21(26)30-22)14-6-13(8-16(24)20(14)25)7-15(23)17-9-29-19(10-28-17)35-11-18-27-4-5-31(18)2/h4-10H,11-12H2,1-3H3,(H2,26,30)/b15-7-/t22-/m0/s1 JWGDWCRPFMLANW-AELLWPAVSA-N 501330 US11021493, Example 249 Beta-secretase 1 Homo sapiens 85.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501330&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126277 459086670 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044150 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3nccnc3cn2)ccc1F InChI=1S/C20H18F2N6O2S/c1-20(11-31(29,30)28(2)19(23)27-20)13-7-12(3-4-14(13)21)8-15(22)16-9-17-18(10-26-16)25-6-5-24-17/h3-10H,11H2,1-2H3,(H2,23,27)/b15-8-/t20-/m0/s1 TZEUUXFFMGKWJK-SLPYIPCOSA-N 501331 US11021493, Example 250 Beta-secretase 1 Homo sapiens 4000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125674 459086671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044151 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3nccnc3cn2)ccc1F InChI=1S/C20H18F2N6O2S/c1-20(11-31(29,30)28(2)19(23)27-20)13-7-12(3-4-14(13)21)8-15(22)16-9-17-18(10-26-16)25-6-5-24-17/h3-10H,11H2,1-2H3,(H2,23,27)/b15-8-/t20-/m0/s1 TZEUUXFFMGKWJK-SLPYIPCOSA-N 501331 US11021493, Example 250 Beta-secretase 1 Homo sapiens 5285 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501331&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125674 459086671 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044154 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C18H17BrF2N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1 UBXLUDVBTXDSQS-ODZYNRFZSA-N 501328 US11021493, Example 247::US11021493, Example 251 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126437 459086668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044155 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C18H17BrF2N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1 UBXLUDVBTXDSQS-ODZYNRFZSA-N 501328 US11021493, Example 247::US11021493, Example 251 Beta-secretase 1 Homo sapiens 110 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501328&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126437 459086668 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044158 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#CCO)cn2)ccc1F InChI=1S/C21H21F2N5O4S/c1-21(13-33(30,31)28(2)20(24)27-21)15-9-14(5-6-16(15)22)10-17(23)18-11-26-19(12-25-18)32-8-4-3-7-29/h5-6,9-12,29H,7-8,13H2,1-2H3,(H2,24,27)/b17-10-/t21-/m0/s1 WJBMCSABCOVYDH-OIOSCTRGSA-N 501333 US11021493, Example 252 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125370 459086672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044159 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#CCO)cn2)ccc1F InChI=1S/C21H21F2N5O4S/c1-21(13-33(30,31)28(2)20(24)27-21)15-9-14(5-6-16(15)22)10-17(23)18-11-26-19(12-25-18)32-8-4-3-7-29/h5-6,9-12,29H,7-8,13H2,1-2H3,(H2,24,27)/b17-10-/t21-/m0/s1 WJBMCSABCOVYDH-OIOSCTRGSA-N 501333 US11021493, Example 252 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125370 459086672 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044162 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(s2)C#N)ccc1F InChI=1S/C17H15F2N5O2S2/c1-17(9-28(25,26)24(2)16(21)23-17)12-5-10(3-4-13(12)18)6-14(19)15-22-8-11(7-20)27-15/h3-6,8H,9H2,1-2H3,(H2,21,23)/b14-6-/t17-/m0/s1 BSFKLQRMSXSNSC-ZRBJYGNNSA-N 501334 US11021493, Example 253 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125915 459086673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044163 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(s2)C#N)ccc1F InChI=1S/C17H15F2N5O2S2/c1-17(9-28(25,26)24(2)16(21)23-17)12-5-10(3-4-13(12)18)6-14(19)15-22-8-11(7-20)27-15/h3-6,8H,9H2,1-2H3,(H2,21,23)/b14-6-/t17-/m0/s1 BSFKLQRMSXSNSC-ZRBJYGNNSA-N 501334 US11021493, Example 253 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125915 459086673 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044166 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#CCF)cn2)ccc1F InChI=1S/C21H20F3N5O3S/c1-21(13-33(30,31)29(2)20(25)28-21)15-9-14(5-6-16(15)23)10-17(24)18-11-27-19(12-26-18)32-8-4-3-7-22/h5-6,9-12H,7-8,13H2,1-2H3,(H2,25,28)/b17-10-/t21-/m0/s1 SIQONXZDOCTZEC-OIOSCTRGSA-N 501335 US11021493, Example 254 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125115 459086674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044167 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#CCF)cn2)ccc1F InChI=1S/C21H20F3N5O3S/c1-21(13-33(30,31)29(2)20(25)28-21)15-9-14(5-6-16(15)23)10-17(24)18-11-27-19(12-26-18)32-8-4-3-7-22/h5-6,9-12H,7-8,13H2,1-2H3,(H2,25,28)/b17-10-/t21-/m0/s1 SIQONXZDOCTZEC-OIOSCTRGSA-N 501335 US11021493, Example 254 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125115 459086674 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044170 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc3OCCOc3n2)ccc1F InChI=1S/C20H20F2N4O4S/c1-20(11-31(27,28)26(2)19(23)25-20)13-9-12(3-4-14(13)21)10-15(22)16-5-6-17-18(24-16)30-8-7-29-17/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,25)/b15-10-/t20-/m0/s1 VBTANQYCRRGBKE-ZRGSNEMSSA-N 501336 US11021493, Example 255 Beta-secretase 1 Homo sapiens 3835 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125923 459086675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044171 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc3OCCOc3n2)ccc1F InChI=1S/C20H20F2N4O4S/c1-20(11-31(27,28)26(2)19(23)25-20)13-9-12(3-4-14(13)21)10-15(22)16-5-6-17-18(24-16)30-8-7-29-17/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,25)/b15-10-/t20-/m0/s1 VBTANQYCRRGBKE-ZRGSNEMSSA-N 501336 US11021493, Example 255 Beta-secretase 1 Homo sapiens 3020 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501336&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125923 459086675 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044174 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(s2)C#N)ccc1F InChI=1S/C18H16F2N4O2S2/c1-18(10-28(25,26)24(2)17(22)23-18)13-7-11(3-5-14(13)19)8-15(20)16-6-4-12(9-21)27-16/h3-8H,10H2,1-2H3,(H2,22,23)/b15-8-/t18-/m0/s1 XQUABQMBRXDKHE-ODZYNRFZSA-N 501337 US11021493, Example 256 Beta-secretase 1 Homo sapiens 35.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125718 459086676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044175 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(s2)C#N)ccc1F InChI=1S/C18H16F2N4O2S2/c1-18(10-28(25,26)24(2)17(22)23-18)13-7-11(3-5-14(13)19)8-15(20)16-6-4-12(9-21)27-16/h3-8H,10H2,1-2H3,(H2,22,23)/b15-8-/t18-/m0/s1 XQUABQMBRXDKHE-ODZYNRFZSA-N 501337 US11021493, Example 256 Beta-secretase 1 Homo sapiens 99.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501337&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125718 459086676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044178 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3OCOc3cn2)ccc1F InChI=1S/C19H18F2N4O4S/c1-19(9-30(26,27)25(2)18(22)24-19)12-5-11(3-4-13(12)20)6-14(21)15-7-16-17(8-23-15)29-10-28-16/h3-8H,9-10H2,1-2H3,(H2,22,24)/b14-6-/t19-/m0/s1 DFZLSFLDVAUKRW-COXIKBTRSA-N 501338 US11021493, Example 257 Beta-secretase 1 Homo sapiens 207 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125119 459086677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044179 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3OCOc3cn2)ccc1F InChI=1S/C19H18F2N4O4S/c1-19(9-30(26,27)25(2)18(22)24-19)12-5-11(3-4-13(12)20)6-14(21)15-7-16-17(8-23-15)29-10-28-16/h3-8H,9-10H2,1-2H3,(H2,22,24)/b14-6-/t19-/m0/s1 DFZLSFLDVAUKRW-COXIKBTRSA-N 501338 US11021493, Example 257 Beta-secretase 1 Homo sapiens 102 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501338&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125119 459086677 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044182 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C19H17F5N4O3S/c1-18(10-32(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)31-19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27)/b15-8-/t18-/m0/s1 PAYPZUPWSYKEGB-ODZYNRFZSA-N 501339 US11021493, Example 258 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125159 459086678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044183 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C19H17F5N4O3S/c1-18(10-32(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)31-19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27)/b15-8-/t18-/m0/s1 PAYPZUPWSYKEGB-ODZYNRFZSA-N 501339 US11021493, Example 258 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501339&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125159 459086678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044186 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3ccccc3cn2)ccc1F InChI=1S/C22H20F2N4O2S/c1-22(13-31(29,30)28(2)21(25)27-22)17-9-14(7-8-18(17)23)10-19(24)20-11-15-5-3-4-6-16(15)12-26-20/h3-12H,13H2,1-2H3,(H2,25,27)/b19-10-/t22-/m0/s1 LKFDPAXLHILZGB-BQHBEAIMSA-N 501340 US11021493, Example 259 Beta-secretase 1 Homo sapiens 272 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126134 459086679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044187 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3ccccc3cn2)ccc1F InChI=1S/C22H20F2N4O2S/c1-22(13-31(29,30)28(2)21(25)27-22)17-9-14(7-8-18(17)23)10-19(24)20-11-15-5-3-4-6-16(15)12-26-20/h3-12H,13H2,1-2H3,(H2,25,27)/b19-10-/t22-/m0/s1 LKFDPAXLHILZGB-BQHBEAIMSA-N 501340 US11021493, Example 259 Beta-secretase 1 Homo sapiens 1125 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501340&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126134 459086679 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044190 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3cc(Cl)ccc3cn2)ccc1F InChI=1S/C22H19ClF2N4O2S/c1-22(12-32(30,31)29(2)21(26)28-22)17-7-13(3-6-18(17)24)8-19(25)20-10-15-9-16(23)5-4-14(15)11-27-20/h3-11H,12H2,1-2H3,(H2,26,28)/b19-8-/t22-/m0/s1 UMMUINSOEBCGON-ALPFBALHSA-N 501341 US11021493, Example 260 Beta-secretase 1 Homo sapiens 552 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126286 459086680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044191 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3cc(Cl)ccc3cn2)ccc1F InChI=1S/C22H19ClF2N4O2S/c1-22(12-32(30,31)29(2)21(26)28-22)17-7-13(3-6-18(17)24)8-19(25)20-10-15-9-16(23)5-4-14(15)11-27-20/h3-11H,12H2,1-2H3,(H2,26,28)/b19-8-/t22-/m0/s1 UMMUINSOEBCGON-ALPFBALHSA-N 501341 US11021493, Example 260 Beta-secretase 1 Homo sapiens 4180 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501341&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126286 459086680 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044194 CC1(C)C(N)=N[C@]2(CO[C@H]2S1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F2N4O3S/c1-20(2)18(25)27-21(11-30-19(21)31(20,28)29)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(9-24)10-26-17/h3-8,10,19H,11H2,1-2H3,(H2,25,27)/b16-8-/t19-,21+/m0/s1 OGMLLMSNOCGCTB-DYWQXGHASA-N 501342 US11021493, Example 261 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155003862 459086681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044195 CC1(C)C(N)=N[C@]2(CO[C@H]2S1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F2N4O3S/c1-20(2)18(25)27-21(11-30-19(21)31(20,28)29)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(9-24)10-26-17/h3-8,10,19H,11H2,1-2H3,(H2,25,27)/b16-8-/t19-,21+/m0/s1 OGMLLMSNOCGCTB-DYWQXGHASA-N 501342 US11021493, Example 261 Beta-secretase 1 Homo sapiens 34.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501342&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155003862 459086681 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044198 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F3N3O2S/c1-19(2)18(24)26-20(3,11-29(19,27)28)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(21)10-25-17/h4-10H,11H2,1-3H3,(H2,24,26)/b16-9-/t20-/m0/s1 ZWEYAKHRZVCNHF-CPYXBQISSA-N 501343 US11021493, Example 262 Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125844 459086682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044199 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F InChI=1S/C20H20F3N3O2S/c1-19(2)18(24)26-20(3,11-29(19,27)28)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(21)10-25-17/h4-10H,11H2,1-3H3,(H2,24,26)/b16-9-/t20-/m0/s1 ZWEYAKHRZVCNHF-CPYXBQISSA-N 501343 US11021493, Example 262 Beta-secretase 1 Homo sapiens 180 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125844 459086682 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044202 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C20H22F2N4O3S/c1-19(2)18(23)26-20(3,11-30(19,27)28)13-7-12(5-6-14(13)21)8-15(22)16-9-25-17(29-4)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)/b15-8-/t20-/m0/s1 ZSGMTRQKPXSNES-SLPYIPCOSA-N 501344 US11021493, Example 263 Beta-secretase 1 Homo sapiens 189 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126301 459086683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044203 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C20H22F2N4O3S/c1-19(2)18(23)26-20(3,11-30(19,27)28)13-7-12(5-6-14(13)21)8-15(22)16-9-25-17(29-4)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)/b15-8-/t20-/m0/s1 ZSGMTRQKPXSNES-SLPYIPCOSA-N 501344 US11021493, Example 263 Beta-secretase 1 Homo sapiens 133 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126301 459086683 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044206 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C21H19ClF5N3O2S/c1-19(2)18(28)30-20(3,10-33(19,31)32)13-6-11(4-5-15(13)23)7-16(24)17-14(22)8-12(9-29-17)21(25,26)27/h4-9H,10H2,1-3H3,(H2,28,30)/b16-7-/t20-/m0/s1 KPJOVXBLKQILFN-YYFKYVOKSA-N 501345 US11021493, Example 264 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126294 459086684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044207 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C21H19ClF5N3O2S/c1-19(2)18(28)30-20(3,10-33(19,31)32)13-6-11(4-5-15(13)23)7-16(24)17-14(22)8-12(9-29-17)21(25,26)27/h4-9H,10H2,1-3H3,(H2,28,30)/b16-7-/t20-/m0/s1 KPJOVXBLKQILFN-YYFKYVOKSA-N 501345 US11021493, Example 264 Beta-secretase 1 Homo sapiens 75.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126294 459086684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044210 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H20F5N3O2S/c1-19(2)18(27)29-20(3,11-32(19,30)31)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(10-28-17)21(24,25)26/h4-10H,11H2,1-3H3,(H2,27,29)/b16-9-/t20-/m0/s1 HRXNXBJPPPFSBG-CPYXBQISSA-N 501346 US11021493, Example 265 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126087 459086685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044211 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H20F5N3O2S/c1-19(2)18(27)29-20(3,11-32(19,30)31)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(10-28-17)21(24,25)26/h4-10H,11H2,1-3H3,(H2,27,29)/b16-9-/t20-/m0/s1 HRXNXBJPPPFSBG-CPYXBQISSA-N 501346 US11021493, Example 265 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126087 459086685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044214 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C2CC2)ccc1F InChI=1S/C20H21F2N5O2S/c1-20(11-30(28,29)27(2)19(23)26-20)14-7-12(3-6-15(14)21)8-16(22)18-10-24-17(9-25-18)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H2,23,26)/b16-8-/t20-/m0/s1 FPWCAPVHKPTAKJ-JYKCAJKKSA-N 501347 US11021493, Example 266 Beta-secretase 1 Homo sapiens 750 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126448 459086686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044215 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C2CC2)ccc1F InChI=1S/C20H21F2N5O2S/c1-20(11-30(28,29)27(2)19(23)26-20)14-7-12(3-6-15(14)21)8-16(22)18-10-24-17(9-25-18)13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H2,23,26)/b16-8-/t20-/m0/s1 FPWCAPVHKPTAKJ-JYKCAJKKSA-N 501347 US11021493, Example 266 Beta-secretase 1 Homo sapiens 653 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126448 459086686 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044218 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2nc(cs2)C#N)ccc1F InChI=1S/C17H15F2N5O2S2/c1-17(9-28(25,26)24(2)16(21)23-17)12-5-10(3-4-13(12)18)6-14(19)15-22-11(7-20)8-27-15/h3-6,8H,9H2,1-2H3,(H2,21,23)/b14-6-/t17-/m0/s1 KKSXRZCCKYLUMJ-ZRBJYGNNSA-N 501348 US11021493, Example 267 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125805 459086687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044219 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2nc(cs2)C#N)ccc1F InChI=1S/C17H15F2N5O2S2/c1-17(9-28(25,26)24(2)16(21)23-17)12-5-10(3-4-13(12)18)6-14(19)15-22-11(7-20)8-27-15/h3-6,8H,9H2,1-2H3,(H2,21,23)/b14-6-/t17-/m0/s1 KKSXRZCCKYLUMJ-ZRBJYGNNSA-N 501348 US11021493, Example 267 Beta-secretase 1 Homo sapiens 38.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125805 459086687 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044222 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C21H19ClF2N4O2S/c1-20(2)19(26)28-21(3,11-31(20,29)30)14-6-12(4-5-16(14)23)8-17(24)18-15(22)7-13(9-25)10-27-18/h4-8,10H,11H2,1-3H3,(H2,26,28)/b17-8-/t21-/m0/s1 UYPPPQCTBZUSML-NLOKWTDQSA-N 501349 US11021493, Example 268 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125830 459086688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044223 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C21H19ClF2N4O2S/c1-20(2)19(26)28-21(3,11-31(20,29)30)14-6-12(4-5-16(14)23)8-17(24)18-15(22)7-13(9-25)10-27-18/h4-8,10H,11H2,1-3H3,(H2,26,28)/b17-8-/t21-/m0/s1 UYPPPQCTBZUSML-NLOKWTDQSA-N 501349 US11021493, Example 268 Beta-secretase 1 Homo sapiens 35.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125830 459086688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044226 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)7-16(22)17-14(20)6-12(8-23)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-7-/t19-/m0/s1 XWWLSPXAPGRIDQ-CWWGLNLWSA-N 501350 US11021493, Example 269 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125452 459086689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044227 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)7-16(22)17-14(20)6-12(8-23)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-7-/t19-/m0/s1 XWWLSPXAPGRIDQ-CWWGLNLWSA-N 501350 US11021493, Example 269 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125452 459086689 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044230 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F InChI=1S/C18H17F3N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1 LZFRJYNGHPKGAA-ODZYNRFZSA-N 501351 US11021493, Example 270 Beta-secretase 1 Homo sapiens 75.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126365 459086690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044231 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F InChI=1S/C18H17F3N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1 LZFRJYNGHPKGAA-ODZYNRFZSA-N 501351 US11021493, Example 270 Beta-secretase 1 Homo sapiens 138 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126365 459086690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044234 COc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C18H18F3N5O3S/c1-18(9-30(27,28)26(2)17(22)25-18)11-4-10(6-13(20)16(11)21)5-12(19)14-7-24-15(29-3)8-23-14/h4-8H,9H2,1-3H3,(H2,22,25)/b12-5-/t18-/m0/s1 OROKNBFLLSTYNO-KYDJUPTOSA-N 501352 US11021493, Example 271 Beta-secretase 1 Homo sapiens 170 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126160 459086691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044235 COc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C18H18F3N5O3S/c1-18(9-30(27,28)26(2)17(22)25-18)11-4-10(6-13(20)16(11)21)5-12(19)14-7-24-15(29-3)8-23-14/h4-8H,9H2,1-3H3,(H2,22,25)/b12-5-/t18-/m0/s1 OROKNBFLLSTYNO-KYDJUPTOSA-N 501352 US11021493, Example 271 Beta-secretase 1 Homo sapiens 169 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126160 459086691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044238 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F InChI=1S/C19H15ClF6N4O2S/c1-18(8-33(31,32)30(2)17(27)29-18)11-3-9(4-13(21)15(11)23)5-14(22)16-12(20)6-10(7-28-16)19(24,25)26/h3-7H,8H2,1-2H3,(H2,27,29)/b14-5-/t18-/m0/s1 XTPKUGBRVKAUSC-BLCJYSFRSA-N 501353 US11021493, Example 272 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125772 459086692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044239 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F InChI=1S/C19H15ClF6N4O2S/c1-18(8-33(31,32)30(2)17(27)29-18)11-3-9(4-13(21)15(11)23)5-14(22)16-12(20)6-10(7-28-16)19(24,25)26/h3-7H,8H2,1-2H3,(H2,27,29)/b14-5-/t18-/m0/s1 XTPKUGBRVKAUSC-BLCJYSFRSA-N 501353 US11021493, Example 272 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125772 459086692 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044242 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)cc(F)c1F InChI=1S/C19H16F6N4O2S/c1-18(9-32(30,31)29(2)17(26)28-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(8-27-15)19(23,24)25/h3-8H,9H2,1-2H3,(H2,26,28)/b13-6-/t18-/m0/s1 SPTRDEUPNNMVMR-BXIWPEDZSA-N 501354 US11021493, Example 273 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125688 459086693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044243 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)cc(F)c1F InChI=1S/C19H16F6N4O2S/c1-18(9-32(30,31)29(2)17(26)28-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(8-27-15)19(23,24)25/h3-8H,9H2,1-2H3,(H2,26,28)/b13-6-/t18-/m0/s1 SPTRDEUPNNMVMR-BXIWPEDZSA-N 501354 US11021493, Example 273 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125688 459086693 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044246 Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#N InChI=1S/C22H22F2N4O2S/c1-13-7-15(10-25)11-27-19(13)18(24)9-14-5-6-17(23)16(8-14)22(4)12-31(29,30)21(2,3)20(26)28-22/h5-9,11H,12H2,1-4H3,(H2,26,28)/b18-9-/t22-/m0/s1 SCXIEKHWLXYYHR-KRJVNCKSSA-N 501355 US11021493, Example 274 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124957 459086694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044247 Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#N InChI=1S/C22H22F2N4O2S/c1-13-7-15(10-25)11-27-19(13)18(24)9-14-5-6-17(23)16(8-14)22(4)12-31(29,30)21(2,3)20(26)28-22/h5-9,11H,12H2,1-4H3,(H2,26,28)/b18-9-/t22-/m0/s1 SCXIEKHWLXYYHR-KRJVNCKSSA-N 501355 US11021493, Example 274 Beta-secretase 1 Homo sapiens 51.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501355&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135124957 459086694 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044250 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1 HDKKEPJHRYPLPT-COXIKBTRSA-N 501188 US11021493, Example 107::US11021493, Example 275 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126403 459086542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044251 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1 HDKKEPJHRYPLPT-COXIKBTRSA-N 501188 US11021493, Example 107::US11021493, Example 275 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126403 459086542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044254 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)cc(F)c1F InChI=1S/C19H15ClF3N5O2S/c1-19(9-31(29,30)28(2)18(25)27-19)12-3-10(5-14(21)16(12)23)6-15(22)17-13(20)4-11(7-24)8-26-17/h3-6,8H,9H2,1-2H3,(H2,25,27)/b15-6-/t19-/m0/s1 XSTFBOBOPVTQOH-RQYCBZRCSA-N 501357 US11021493, Example 276 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125921 459086695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044255 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)cc(F)c1F InChI=1S/C19H15ClF3N5O2S/c1-19(9-31(29,30)28(2)18(25)27-19)12-3-10(5-14(21)16(12)23)6-15(22)17-13(20)4-11(7-24)8-26-17/h3-6,8H,9H2,1-2H3,(H2,25,27)/b15-6-/t19-/m0/s1 XSTFBOBOPVTQOH-RQYCBZRCSA-N 501357 US11021493, Example 276 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501357&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125921 459086695 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044258 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)C2CCOC2)ccc1F InChI=1S/C20H23F3N2O3S/c1-19(17-4-6-20(11-21,18(24)25-19)29(17,26)27)14-8-12(2-3-15(14)22)9-16(23)13-5-7-28-10-13/h2-3,8-9,13,17H,4-7,10-11H2,1H3,(H2,24,25)/b16-9-/t13?,17-,19+,20-/m0/s1 SPLFNKQXQBICLZ-NSFVFAORSA-N 501358 (1R,4R,5S)-2-amino-4-(2-fluoro-5-((Z)-2-fluoro-2-(tetrahydrofuran-2-yl)vinyl)phenyl)-1-(fluoromethyl)-4-methyl-8-thia-3-azabicyclo[3.2.1]oct-2-ene 8,8-dioxide; and::US11021493, Example 277 Beta-secretase 1 Homo sapiens 251 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154601223 459086696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044259 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)C2CCOC2)ccc1F InChI=1S/C20H23F3N2O3S/c1-19(17-4-6-20(11-21,18(24)25-19)29(17,26)27)14-8-12(2-3-15(14)22)9-16(23)13-5-7-28-10-13/h2-3,8-9,13,17H,4-7,10-11H2,1H3,(H2,24,25)/b16-9-/t13?,17-,19+,20-/m0/s1 SPLFNKQXQBICLZ-NSFVFAORSA-N 501358 (1R,4R,5S)-2-amino-4-(2-fluoro-5-((Z)-2-fluoro-2-(tetrahydrofuran-2-yl)vinyl)phenyl)-1-(fluoromethyl)-4-methyl-8-thia-3-azabicyclo[3.2.1]oct-2-ene 8,8-dioxide; and::US11021493, Example 277 Beta-secretase 1 Homo sapiens 972 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154601223 459086696 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044262 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(\F)C2CCCO2)ccc1F InChI=1S/C20H23F3N2O3S/c1-19(17-6-7-20(11-21,18(24)25-19)29(17,26)27)13-9-12(4-5-14(13)22)10-15(23)16-3-2-8-28-16/h4-5,9-10,16-17H,2-3,6-8,11H2,1H3,(H2,24,25)/b15-10+/t16?,17-,19+,20-/m0/s1 CNCHXAPMGRCDFK-FFIUSHDYSA-N 501359 US11021493, Example 278 Beta-secretase 1 Homo sapiens 1113 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126444 459086697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044263 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(\F)C2CCCO2)ccc1F InChI=1S/C20H23F3N2O3S/c1-19(17-6-7-20(11-21,18(24)25-19)29(17,26)27)13-9-12(4-5-14(13)22)10-15(23)16-3-2-8-28-16/h4-5,9-10,16-17H,2-3,6-8,11H2,1H3,(H2,24,25)/b15-10+/t16?,17-,19+,20-/m0/s1 CNCHXAPMGRCDFK-FFIUSHDYSA-N 501359 US11021493, Example 278 Beta-secretase 1 Homo sapiens 1977 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126444 459086697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044266 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C\c2ccc(Cl)cc2)ccc1F InChI=1S/C21H22ClFN2O2S/c1-20(2)19(24)25-21(3,13-28(20,26)27)17-12-15(8-11-18(17)23)5-4-14-6-9-16(22)10-7-14/h4-12H,13H2,1-3H3,(H2,24,25)/b5-4+/t21-/m0/s1 PCOXDXAAPSNFFJ-FNEOHHHZSA-N 501360 US11021493, Example 279 Beta-secretase 1 Homo sapiens 56.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125898 459086698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044267 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C\c2ccc(Cl)cc2)ccc1F InChI=1S/C21H22ClFN2O2S/c1-20(2)19(24)25-21(3,13-28(20,26)27)17-12-15(8-11-18(17)23)5-4-14-6-9-16(22)10-7-14/h4-12H,13H2,1-3H3,(H2,24,25)/b5-4+/t21-/m0/s1 PCOXDXAAPSNFFJ-FNEOHHHZSA-N 501360 US11021493, Example 279 Beta-secretase 1 Homo sapiens 442 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125898 459086698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043550 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3O2S/c1-20(12-30(28,29)21(7-2-8-21)19(25)27-20)15-9-13(3-5-16(15)23)10-17(24)18-6-4-14(22)11-26-18/h3-6,9-11H,2,7-8,12H2,1H3,(H2,25,27)/b17-10-/t20-/m0/s1 GVTVQMUQHMNEEL-PSXSOWLISA-N 501181 US11021493, Example 100 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125624 459086535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043551 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3O2S/c1-20(12-30(28,29)21(7-2-8-21)19(25)27-20)15-9-13(3-5-16(15)23)10-17(24)18-6-4-14(22)11-26-18/h3-6,9-11H,2,7-8,12H2,1H3,(H2,25,27)/b17-10-/t20-/m0/s1 GVTVQMUQHMNEEL-PSXSOWLISA-N 501181 US11021493, Example 100 Beta-secretase 1 Homo sapiens 472 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125624 459086535 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043554 C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C21H19BrF3N3O2S/c1-20(18-6-7-21(11-23,19(26)28-20)31(18,29)30)14-8-12(2-4-15(14)24)9-16(25)17-5-3-13(22)10-27-17/h2-5,8-10,18H,6-7,11H2,1H3,(H2,26,28)/b16-9-/t18-,20+,21+/m0/s1 YBTHOLAPRYEQLF-QPZHNHRQSA-N 501182 US11021493, Example 101 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370043 459086536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043555 C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F InChI=1S/C21H19BrF3N3O2S/c1-20(18-6-7-21(11-23,19(26)28-20)31(18,29)30)14-8-12(2-4-15(14)24)9-16(25)17-5-3-13(22)10-27-17/h2-5,8-10,18H,6-7,11H2,1H3,(H2,26,28)/b16-9-/t18-,20+,21+/m0/s1 YBTHOLAPRYEQLF-QPZHNHRQSA-N 501182 US11021493, Example 101 Beta-secretase 1 Homo sapiens 79.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370043 459086536 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043558 C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H19F3N4O2S/c1-21(19-6-7-22(12-23,20(27)29-21)32(19,30)31)15-8-13(2-4-16(15)24)9-17(25)18-5-3-14(10-26)11-28-18/h2-5,8-9,11,19H,6-7,12H2,1H3,(H2,27,29)/b17-9-/t19-,21+,22+/m0/s1 VJDIDSYICPCAPO-RZWCVLNRSA-N 501183 US11021493, Example 102 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370044 459086537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043559 C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H19F3N4O2S/c1-21(19-6-7-22(12-23,20(27)29-21)32(19,30)31)15-8-13(2-4-16(15)24)9-17(25)18-5-3-14(10-26)11-28-18/h2-5,8-9,11,19H,6-7,12H2,1H3,(H2,27,29)/b17-9-/t19-,21+,22+/m0/s1 VJDIDSYICPCAPO-RZWCVLNRSA-N 501183 US11021493, Example 102 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370044 459086537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043562 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4O2S/c1-21(13-31(29,30)22(7-2-8-22)20(26)28-21)16-9-14(3-5-17(16)23)10-18(24)19-6-4-15(11-25)12-27-19/h3-6,9-10,12H,2,7-8,13H2,1H3,(H2,26,28)/b18-10-/t21-/m0/s1 YKXJXOBEJFRFKF-YJXRAILPSA-N 501184 US11021493, Example 103 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125845 459086538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043563 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4O2S/c1-21(13-31(29,30)22(7-2-8-22)20(26)28-21)16-9-14(3-5-17(16)23)10-18(24)19-6-4-15(11-25)12-27-19/h3-6,9-10,12H,2,7-8,13H2,1H3,(H2,26,28)/b18-10-/t21-/m0/s1 YKXJXOBEJFRFKF-YJXRAILPSA-N 501184 US11021493, Example 103 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125845 459086538 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043566 CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1 OBQVSGQQXIVESB-RXATWSHQSA-N 501185 US11021493, Example 104 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135143880 459086539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043567 CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1 OBQVSGQQXIVESB-RXATWSHQSA-N 501185 US11021493, Example 104 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135143880 459086539 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043570 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H16BrF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(19)8-24-15/h3-8H,9H2,1-2H3,(H2,23,25)/b13-6-/t18-/m0/s1 ICCXUMYFLMOMOC-BXIWPEDZSA-N 501186 US11021493, Example 105 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125567 459086540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043571 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)cc(F)c1F InChI=1S/C18H16BrF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(19)8-24-15/h3-8H,9H2,1-2H3,(H2,23,25)/b13-6-/t18-/m0/s1 ICCXUMYFLMOMOC-BXIWPEDZSA-N 501186 US11021493, Example 105 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501186&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125567 459086540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043574 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F2N5O2S/c1-19(11-29(27,28)26(2)18(23)25-19)14-7-12(3-5-15(14)20)8-16(21)17-6-4-13(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,25)/b16-8-/t19-/m0/s1 RAQAIWXEDMWZOG-ZMHGOHSBSA-N 501187 US11021493, Example 106 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125833 459086541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043575 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F2N5O2S/c1-19(11-29(27,28)26(2)18(23)25-19)14-7-12(3-5-15(14)20)8-16(21)17-6-4-13(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,25)/b16-8-/t19-/m0/s1 RAQAIWXEDMWZOG-ZMHGOHSBSA-N 501187 US11021493, Example 106 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125833 459086541 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043578 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1 HDKKEPJHRYPLPT-COXIKBTRSA-N 501188 US11021493, Example 107::US11021493, Example 275 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126403 459086542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043579 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1 HDKKEPJHRYPLPT-COXIKBTRSA-N 501188 US11021493, Example 107::US11021493, Example 275 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126403 459086542 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043582 C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H21F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h1,4-5,9-12,19H,6-8,13H2,2H3,(H2,27,30)/b17-10-/t19-,22+,23+/m0/s1 AWROIJICUAAEHH-ITHVVHDKSA-N 501189 US11021493, Example 108 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370045 459086543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043583 C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H21F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h1,4-5,9-12,19H,6-8,13H2,2H3,(H2,27,30)/b17-10-/t19-,22+,23+/m0/s1 AWROIJICUAAEHH-ITHVVHDKSA-N 501189 US11021493, Example 108 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501189&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370045 459086543 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043586 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C22H20F6N4O3S/c1-20(17-4-5-21(10-23,19(29)32-20)36(17,33)34)13-6-12(2-3-14(13)24)7-15(25)16-8-31-18(9-30-16)35-11-22(26,27)28/h2-3,6-9,17H,4-5,10-11H2,1H3,(H2,29,32)/b15-7-/t17-,20+,21-/m0/s1 LJHVTKLLYRJZCG-KUDAXZBBSA-N 501190 US11021493, Example 109 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126335 459086544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043587 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C22H20F6N4O3S/c1-20(17-4-5-21(10-23,19(29)32-20)36(17,33)34)13-6-12(2-3-14(13)24)7-15(25)16-8-31-18(9-30-16)35-11-22(26,27)28/h2-3,6-9,17H,4-5,10-11H2,1H3,(H2,29,32)/b15-7-/t17-,20+,21-/m0/s1 LJHVTKLLYRJZCG-KUDAXZBBSA-N 501190 US11021493, Example 109 Beta-secretase 1 Homo sapiens 227 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126335 459086544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043590 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)C2CCOCC2)cc(F)c1F InChI=1S/C18H22F3N3O3S/c1-18(10-28(25,26)24(2)17(22)23-18)13-7-11(9-15(20)16(13)21)8-14(19)12-3-5-27-6-4-12/h7-9,12H,3-6,10H2,1-2H3,(H2,22,23)/b14-8-/t18-/m0/s1 LPOHHKYKXSSCQS-PIJNTSGSSA-N 501191 US11021493, Example 110 Beta-secretase 1 Homo sapiens 709 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126373 459086545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043591 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)C2CCOCC2)cc(F)c1F InChI=1S/C18H22F3N3O3S/c1-18(10-28(25,26)24(2)17(22)23-18)13-7-11(9-15(20)16(13)21)8-14(19)12-3-5-27-6-4-12/h7-9,12H,3-6,10H2,1-2H3,(H2,22,23)/b14-8-/t18-/m0/s1 LPOHHKYKXSSCQS-PIJNTSGSSA-N 501191 US11021493, Example 110 Beta-secretase 1 Homo sapiens 631 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501191&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126373 459086545 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043594 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043595 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043598 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H19F2N5O3S/c1-4-7-30-18-11-24-17(10-25-18)16(22)9-13-5-6-15(21)14(8-13)20(2)12-31(28,29)27(3)19(23)26-20/h1,5-6,8-11H,7,12H2,2-3H3,(H2,23,26)/b16-9-/t20-/m0/s1 WIQPRGHWWVQNAA-CPYXBQISSA-N 50510765 CHEMBL4440849::US11021493, Example 112 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126469 440719347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043599 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C20H19F2N5O3S/c1-4-7-30-18-11-24-17(10-25-18)16(22)9-13-5-6-15(21)14(8-13)20(2)12-31(28,29)27(3)19(23)26-20/h1,5-6,8-11H,7,12H2,2-3H3,(H2,23,26)/b16-9-/t20-/m0/s1 WIQPRGHWWVQNAA-CPYXBQISSA-N 50510765 CHEMBL4440849::US11021493, Example 112 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126469 440719347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043602 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20F2N4O2S/c1-20(2)19(25)27-21(3,12-30(20,28)29)15-8-13(4-6-16(15)22)9-17(23)18-7-5-14(10-24)11-26-18/h4-9,11H,12H2,1-3H3,(H2,25,27)/b17-9-/t21-/m0/s1 YUWKXSOQJDCMGK-YWUCYRDRSA-N 501194 US11021493, Example 113 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126462 459086547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043603 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H20F2N4O2S/c1-20(2)19(25)27-21(3,12-30(20,28)29)15-8-13(4-6-16(15)22)9-17(23)18-7-5-14(10-24)11-26-18/h4-9,11H,12H2,1-3H3,(H2,25,27)/b17-9-/t21-/m0/s1 YUWKXSOQJDCMGK-YWUCYRDRSA-N 501194 US11021493, Example 113 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126462 459086547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043606 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClF2N3O2S/c1-19(2)18(24)26-20(3,11-29(19,27)28)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(21)10-25-17/h4-10H,11H2,1-3H3,(H2,24,26)/b16-9-/t20-/m0/s1 FJUITDHHAAGQMS-CPYXBQISSA-N 501195 US11021493, Example 114 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125878 459086548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043607 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H20ClF2N3O2S/c1-19(2)18(24)26-20(3,11-29(19,27)28)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(21)10-25-17/h4-10H,11H2,1-3H3,(H2,24,26)/b16-9-/t20-/m0/s1 FJUITDHHAAGQMS-CPYXBQISSA-N 501195 US11021493, Example 114 Beta-secretase 1 Homo sapiens 80.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125878 459086548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043610 Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@]3(CF)CC[C@@H]2S3(=O)=O)n1 InChI=1S/C24H23F3N6O4S/c1-13-31-21(37-33-13)11-36-20-10-29-18(9-30-20)17(27)8-14-3-4-16(26)15(7-14)23(2)19-5-6-24(12-25,22(28)32-23)38(19,34)35/h3-4,7-10,19H,5-6,11-12H2,1-2H3,(H2,28,32)/b17-8-/t19-,23+,24-/m0/s1 BIWTUBYUFSMDPH-AUXROIDUSA-N 501196 US11021493, Example 115 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125146 459086549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043611 Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@]3(CF)CC[C@@H]2S3(=O)=O)n1 InChI=1S/C24H23F3N6O4S/c1-13-31-21(37-33-13)11-36-20-10-29-18(9-30-20)17(27)8-14-3-4-16(26)15(7-14)23(2)19-5-6-24(12-25,22(28)32-23)38(19,34)35/h3-4,7-10,19H,5-6,11-12H2,1-2H3,(H2,28,32)/b17-8-/t19-,23+,24-/m0/s1 BIWTUBYUFSMDPH-AUXROIDUSA-N 501196 US11021493, Example 115 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125146 459086549 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043614 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C21H20F2N6O4S/c1-21(12-34(30,31)29(2)20(24)28-21)14-7-13(3-4-15(14)22)8-16(23)17-9-27-18(10-26-17)33-11-19-25-5-6-32-19/h3-10H,11-12H2,1-2H3,(H2,24,28)/b16-8-/t21-/m0/s1 LLBSPEOFGKBDBA-NSUHCSJYSA-N 501197 US11021493, Example 116 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125026 459086550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043615 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C21H20F2N6O4S/c1-21(12-34(30,31)29(2)20(24)28-21)14-7-13(3-4-15(14)22)8-16(23)17-9-27-18(10-26-17)33-11-19-25-5-6-32-19/h3-10H,11-12H2,1-2H3,(H2,24,28)/b16-8-/t21-/m0/s1 LLBSPEOFGKBDBA-NSUHCSJYSA-N 501197 US11021493, Example 116 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125026 459086550 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043618 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H18F5N5O3S/c1-18(10-33(30,31)29(2)17(25)28-18)12-5-11(3-4-13(12)20)6-14(21)15-7-27-16(8-26-15)32-9-19(22,23)24/h3-8H,9-10H2,1-2H3,(H2,25,28)/b14-6-/t18-/m0/s1 RDNMEHDDDNNOIV-AGOXUQQWSA-N 501198 US11021493, Example 117 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125176 459086551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043619 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C19H18F5N5O3S/c1-18(10-33(30,31)29(2)17(25)28-18)12-5-11(3-4-13(12)20)6-14(21)15-7-27-16(8-26-15)32-9-19(22,23)24/h3-8H,9-10H2,1-2H3,(H2,25,28)/b14-6-/t18-/m0/s1 RDNMEHDDDNNOIV-AGOXUQQWSA-N 501198 US11021493, Example 117 Beta-secretase 1 Homo sapiens 148 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125176 459086551 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043622 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C24H25F3N4O3S/c1-23(20-6-7-24(13-25,22(28)31-23)35(20,32)33)16-8-15(4-5-17(16)26)9-18(27)19-10-30-21(11-29-19)34-12-14-2-3-14/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1 CRXXNYQVRSNKDH-AWTRGSECSA-N 501199 US11021493, Example 118 Beta-secretase 1 Homo sapiens 35.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126094 459086552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043623 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C24H25F3N4O3S/c1-23(20-6-7-24(13-25,22(28)31-23)35(20,32)33)16-8-15(4-5-17(16)26)9-18(27)19-10-30-21(11-29-19)34-12-14-2-3-14/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1 CRXXNYQVRSNKDH-AWTRGSECSA-N 501199 US11021493, Example 118 Beta-secretase 1 Homo sapiens 706 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126094 459086552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043626 Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@]3(CF)CC[C@@H]2S3(=O)=O)o1 InChI=1S/C24H23F3N6O4S/c1-13-32-33-21(37-13)11-36-20-10-29-18(9-30-20)17(27)8-14-3-4-16(26)15(7-14)23(2)19-5-6-24(12-25,22(28)31-23)38(19,34)35/h3-4,7-10,19H,5-6,11-12H2,1-2H3,(H2,28,31)/b17-8-/t19-,23+,24-/m0/s1 DYHDADCBPLWMDC-AUXROIDUSA-N 501200 US11021493, Example 119 Beta-secretase 1 Homo sapiens 21.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126379 459086553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043627 Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@]3(CF)CC[C@@H]2S3(=O)=O)o1 InChI=1S/C24H23F3N6O4S/c1-13-32-33-21(37-13)11-36-20-10-29-18(9-30-20)17(27)8-14-3-4-16(26)15(7-14)23(2)19-5-6-24(12-25,22(28)31-23)38(19,34)35/h3-4,7-10,19H,5-6,11-12H2,1-2H3,(H2,28,31)/b17-8-/t19-,23+,24-/m0/s1 DYHDADCBPLWMDC-AUXROIDUSA-N 501200 US11021493, Example 119 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126379 459086553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043630 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C23H21F7N4O3S/c1-21(17-4-5-22(10-24,20(31)34-21)38(17,35)36)13-6-12(2-3-14(13)25)7-15(26)16-8-33-18(9-32-16)37-11-23(29,30)19(27)28/h2-3,6-9,17,19H,4-5,10-11H2,1H3,(H2,31,34)/b15-7-/t17-,21+,22-/m0/s1 BMXSKNRBEYELFD-JURDMDRRSA-N 501201 US11021493, Example 120 Beta-secretase 1 Homo sapiens 37.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125583 459086554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043631 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C23H21F7N4O3S/c1-21(17-4-5-22(10-24,20(31)34-21)38(17,35)36)13-6-12(2-3-14(13)25)7-15(26)16-8-33-18(9-32-16)37-11-23(29,30)19(27)28/h2-3,6-9,17,19H,4-5,10-11H2,1H3,(H2,31,34)/b15-7-/t17-,21+,22-/m0/s1 BMXSKNRBEYELFD-JURDMDRRSA-N 501201 US11021493, Example 120 Beta-secretase 1 Homo sapiens 542 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125583 459086554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043634 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C21H21F3N4O3S/c1-20(17-5-6-21(11-22,19(25)28-20)32(17,29)30)13-7-12(3-4-14(13)23)8-15(24)16-9-27-18(31-2)10-26-16/h3-4,7-10,17H,5-6,11H2,1-2H3,(H2,25,28)/b15-8-/t17-,20+,21-/m0/s1 JZNZMADVBGQCLW-NZUJZPRYSA-N 501202 US11021493, Example 121 Beta-secretase 1 Homo sapiens 98.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125929 459086555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043635 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C21H21F3N4O3S/c1-20(17-5-6-21(11-22,19(25)28-20)32(17,29)30)13-7-12(3-4-14(13)23)8-15(24)16-9-27-18(31-2)10-26-16/h3-4,7-10,17H,5-6,11H2,1-2H3,(H2,25,28)/b15-8-/t17-,20+,21-/m0/s1 JZNZMADVBGQCLW-NZUJZPRYSA-N 501202 US11021493, Example 121 Beta-secretase 1 Homo sapiens 191 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125929 459086555 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043638 CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C22H23F3N4O3S/c1-3-32-19-11-27-17(10-28-19)16(25)9-13-4-5-15(24)14(8-13)21(2)18-6-7-22(12-23,20(26)29-21)33(18,30)31/h4-5,8-11,18H,3,6-7,12H2,1-2H3,(H2,26,29)/b16-9-/t18-,21+,22-/m0/s1 TWWUHNNXXQQLLR-LLYJTOGPSA-N 501203 US11021493, Example 122 Beta-secretase 1 Homo sapiens 54.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125944 459086556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043639 CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C22H23F3N4O3S/c1-3-32-19-11-27-17(10-28-19)16(25)9-13-4-5-15(24)14(8-13)21(2)18-6-7-22(12-23,20(26)29-21)33(18,30)31/h4-5,8-11,18H,3,6-7,12H2,1-2H3,(H2,26,29)/b16-9-/t18-,21+,22-/m0/s1 TWWUHNNXXQQLLR-LLYJTOGPSA-N 501203 US11021493, Example 122 Beta-secretase 1 Homo sapiens 527 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125944 459086556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043642 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H22F2N4O3S/c1-5-8-31-19-12-26-18(11-27-19)17(24)10-14-6-7-16(23)15(9-14)22(4)13-32(29,30)21(2,3)20(25)28-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,25,28)/b17-10-/t22-/m0/s1 MAJFETMMCMCMPJ-VBBNHBBTSA-N 50510783 CHEMBL4470897::US11021493, Example 123 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125856 440719365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043643 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H22F2N4O3S/c1-5-8-31-19-12-26-18(11-27-19)17(24)10-14-6-7-16(23)15(9-14)22(4)13-32(29,30)21(2,3)20(25)28-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,25,28)/b17-10-/t22-/m0/s1 MAJFETMMCMCMPJ-VBBNHBBTSA-N 50510783 CHEMBL4470897::US11021493, Example 123 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125856 440719365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043646 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C21H21F5N4O3S/c1-19(2)18(27)30-20(3,11-34(19,31)32)13-6-12(4-5-14(13)22)7-15(23)16-8-29-17(9-28-16)33-10-21(24,25)26/h4-9H,10-11H2,1-3H3,(H2,27,30)/b15-7-/t20-/m0/s1 APCLACYAMMYMOQ-BRAWNXGXSA-N 501205 US11021493, Example 124 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125930 459086557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043647 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C21H21F5N4O3S/c1-19(2)18(27)30-20(3,11-34(19,31)32)13-6-12(4-5-14(13)22)7-15(23)16-8-29-17(9-28-16)33-10-21(24,25)26/h4-9H,10-11H2,1-3H3,(H2,27,30)/b15-7-/t20-/m0/s1 APCLACYAMMYMOQ-BRAWNXGXSA-N 501205 US11021493, Example 124 Beta-secretase 1 Homo sapiens 134 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125930 459086557 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043650 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC=C)cn2)ccc1F InChI=1S/C23H23F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h3-5,9-12,19H,1,6-8,13H2,2H3,(H2,27,30)/b17-10-/t19-,22+,23-/m0/s1 YOXNDBJZZCDOTE-NKUXOPIZSA-N 501206 US11021493, Example 125 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125594 459086558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043651 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC=C)cn2)ccc1F InChI=1S/C23H23F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h3-5,9-12,19H,1,6-8,13H2,2H3,(H2,27,30)/b17-10-/t19-,22+,23-/m0/s1 YOXNDBJZZCDOTE-NKUXOPIZSA-N 501206 US11021493, Example 125 Beta-secretase 1 Homo sapiens 446 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125594 459086558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043654 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F InChI=1S/C24H25F3N4O4S/c1-23(20-4-5-24(13-25,22(28)31-23)36(20,32)33)16-6-14(2-3-17(16)26)7-18(27)19-8-30-21(9-29-19)35-12-15-10-34-11-15/h2-3,6-9,15,20H,4-5,10-13H2,1H3,(H2,28,31)/b18-7-/t20-,23+,24-/m0/s1 RLCPZPOURNLVTM-WJFAUYEISA-N 501207 US11021493, Example 126 Beta-secretase 1 Homo sapiens 138 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125175 459086559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043655 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F InChI=1S/C24H25F3N4O4S/c1-23(20-4-5-24(13-25,22(28)31-23)36(20,32)33)16-6-14(2-3-17(16)26)7-18(27)19-8-30-21(9-29-19)35-12-15-10-34-11-15/h2-3,6-9,15,20H,4-5,10-13H2,1H3,(H2,28,31)/b18-7-/t20-,23+,24-/m0/s1 RLCPZPOURNLVTM-WJFAUYEISA-N 501207 US11021493, Example 126 Beta-secretase 1 Homo sapiens 457 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125175 459086559 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043658 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C21H19F2N5O2S/c1-20(21(7-8-21)31(29,30)28(2)19(25)27-20)15-9-13(3-5-16(15)22)10-17(23)18-6-4-14(11-24)12-26-18/h3-6,9-10,12H,7-8H2,1-2H3,(H2,25,27)/b17-10-/t20-/m1/s1 BBNKDWRNDBPTOR-PLMLNFJUSA-N 501208 US11021493, Example 127 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125537 459086560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043659 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C21H19F2N5O2S/c1-20(21(7-8-21)31(29,30)28(2)19(25)27-20)15-9-13(3-5-16(15)22)10-17(23)18-6-4-14(11-24)12-26-18/h3-6,9-10,12H,7-8H2,1-2H3,(H2,25,27)/b17-10-/t20-/m1/s1 BBNKDWRNDBPTOR-PLMLNFJUSA-N 501208 US11021493, Example 127 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125537 459086560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043662 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)C#C InChI=1S/C24H23F3N4O3S/c1-4-14(2)34-21-12-29-19(11-30-21)18(27)10-15-5-6-17(26)16(9-15)23(3)20-7-8-24(13-25,22(28)31-23)35(20,32)33/h1,5-6,9-12,14,20H,7-8,13H2,2-3H3,(H2,28,31)/b18-10-/t14-,20-,23+,24-/m0/s1 OFMNRFWBSOZHFP-CMMCLEBZSA-N 501209 US11021493, Example 128 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126328 459086561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043663 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)C#C InChI=1S/C24H23F3N4O3S/c1-4-14(2)34-21-12-29-19(11-30-21)18(27)10-15-5-6-17(26)16(9-15)23(3)20-7-8-24(13-25,22(28)31-23)35(20,32)33/h1,5-6,9-12,14,20H,7-8,13H2,2-3H3,(H2,28,31)/b18-10-/t14-,20-,23+,24-/m0/s1 OFMNRFWBSOZHFP-CMMCLEBZSA-N 501209 US11021493, Example 128 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126328 459086561 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043666 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C23H23F2N5O4S/c1-22(2)21(26)30-23(3,13-35(22,31)32)15-8-14(4-5-16(15)24)9-17(25)18-10-29-19(11-28-18)34-12-20-27-6-7-33-20/h4-11H,12-13H2,1-3H3,(H2,26,30)/b17-9-/t23-/m0/s1 QDOBYRKWCWCKSV-KEPADWISSA-N 501210 US11021493, Example 129 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125803 459086562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043667 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F InChI=1S/C23H23F2N5O4S/c1-22(2)21(26)30-23(3,13-35(22,31)32)15-8-14(4-5-16(15)24)9-17(25)18-10-29-19(11-28-18)34-12-20-27-6-7-33-20/h4-11H,12-13H2,1-3H3,(H2,26,30)/b17-9-/t23-/m0/s1 QDOBYRKWCWCKSV-KEPADWISSA-N 501210 US11021493, Example 129 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125803 459086562 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043670 COCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C23H25F3N4O4S/c1-22(19-5-6-23(13-24,21(27)30-22)35(19,31)32)15-9-14(3-4-16(15)25)10-17(26)18-11-29-20(12-28-18)34-8-7-33-2/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,30)/b17-10-/t19-,22+,23-/m0/s1 IAWXEYRMEHILFM-NKUXOPIZSA-N 501211 US11021493, Example 130 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126144 459086563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043671 COCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C23H25F3N4O4S/c1-22(19-5-6-23(13-24,21(27)30-22)35(19,31)32)15-9-14(3-4-16(15)25)10-17(26)18-11-29-20(12-28-18)34-8-7-33-2/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,30)/b17-10-/t19-,22+,23-/m0/s1 IAWXEYRMEHILFM-NKUXOPIZSA-N 501211 US11021493, Example 130 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126144 459086563 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043674 COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C24H27F3N4O4S/c1-14(12-34-3)35-21-11-29-19(10-30-21)18(27)9-15-4-5-17(26)16(8-15)23(2)20-6-7-24(13-25,22(28)31-23)36(20,32)33/h4-5,8-11,14,20H,6-7,12-13H2,1-3H3,(H2,28,31)/b18-9-/t14-,20-,23+,24-/m0/s1 RNCAMBODGPZNAW-ZOYCZNOASA-N 501212 US11021493, Example 131 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126451 459086564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043675 COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C24H27F3N4O4S/c1-14(12-34-3)35-21-11-29-19(10-30-21)18(27)9-15-4-5-17(26)16(8-15)23(2)20-6-7-24(13-25,22(28)31-23)36(20,32)33/h4-5,8-11,14,20H,6-7,12-13H2,1-3H3,(H2,28,31)/b18-9-/t14-,20-,23+,24-/m0/s1 RNCAMBODGPZNAW-ZOYCZNOASA-N 501212 US11021493, Example 131 Beta-secretase 1 Homo sapiens 97.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126451 459086564 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043678 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCC3)cn2)ccc1F InChI=1S/C25H27F3N4O3S/c1-24(21-7-8-25(14-26,23(29)32-24)36(21,33)34)17-9-16(5-6-18(17)27)10-19(28)20-11-31-22(12-30-20)35-13-15-3-2-4-15/h5-6,9-12,15,21H,2-4,7-8,13-14H2,1H3,(H2,29,32)/b19-10-/t21-,24+,25-/m0/s1 GBLGGQWJQJVMRT-XCZGQCRVSA-N 501213 US11021493, Example 132 Beta-secretase 1 Homo sapiens 38.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125248 459086565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043679 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCC3)cn2)ccc1F InChI=1S/C25H27F3N4O3S/c1-24(21-7-8-25(14-26,23(29)32-24)36(21,33)34)17-9-16(5-6-18(17)27)10-19(28)20-11-31-22(12-30-20)35-13-15-3-2-4-15/h5-6,9-12,15,21H,2-4,7-8,13-14H2,1H3,(H2,29,32)/b19-10-/t21-,24+,25-/m0/s1 GBLGGQWJQJVMRT-XCZGQCRVSA-N 501213 US11021493, Example 132 Beta-secretase 1 Homo sapiens 1955 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125248 459086565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043682 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCCF)cn2)ccc1F InChI=1S/C22H22F4N4O3S/c1-21(18-4-5-22(12-24,20(27)30-21)34(18,31)32)14-8-13(2-3-15(14)25)9-16(26)17-10-29-19(11-28-17)33-7-6-23/h2-3,8-11,18H,4-7,12H2,1H3,(H2,27,30)/b16-9-/t18-,21+,22-/m0/s1 AKNYYQPERGPUHJ-LLYJTOGPSA-N 501214 US11021493, Example 133 Beta-secretase 1 Homo sapiens 131 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125726 459086566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043683 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCCF)cn2)ccc1F InChI=1S/C22H22F4N4O3S/c1-21(18-4-5-22(12-24,20(27)30-21)34(18,31)32)14-8-13(2-3-15(14)25)9-16(26)17-10-29-19(11-28-17)33-7-6-23/h2-3,8-11,18H,4-7,12H2,1H3,(H2,27,30)/b16-9-/t18-,21+,22-/m0/s1 AKNYYQPERGPUHJ-LLYJTOGPSA-N 501214 US11021493, Example 133 Beta-secretase 1 Homo sapiens 339 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125726 459086566 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043686 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C22H21F5N4O3S/c1-21(17-4-5-22(11-23,20(28)31-21)35(17,32)33)13-6-12(2-3-14(13)24)7-15(25)16-8-30-19(9-29-16)34-10-18(26)27/h2-3,6-9,17-18H,4-5,10-11H2,1H3,(H2,28,31)/b15-7-/t17-,21+,22-/m0/s1 QPIIZHRZZDNOGS-JURDMDRRSA-N 501215 US11021493, Example 134 Beta-secretase 1 Homo sapiens 101 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125681 459086567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043687 C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C22H21F5N4O3S/c1-21(17-4-5-22(11-23,20(28)31-21)35(17,32)33)13-6-12(2-3-14(13)24)7-15(25)16-8-30-19(9-29-16)34-10-18(26)27/h2-3,6-9,17-18H,4-5,10-11H2,1H3,(H2,28,31)/b15-7-/t17-,21+,22-/m0/s1 QPIIZHRZZDNOGS-JURDMDRRSA-N 501215 US11021493, Example 134 Beta-secretase 1 Homo sapiens 318 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125681 459086567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043690 CCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C23H25F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h4-5,9-12,19H,3,6-8,13H2,1-2H3,(H2,27,30)/b17-10-/t19-,22+,23-/m0/s1 HFDHAAAQGHEMJE-NKUXOPIZSA-N 501216 US11021493, Example 135 Beta-secretase 1 Homo sapiens 86.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125000 459086568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043691 CCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C23H25F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h4-5,9-12,19H,3,6-8,13H2,1-2H3,(H2,27,30)/b17-10-/t19-,22+,23-/m0/s1 HFDHAAAQGHEMJE-NKUXOPIZSA-N 501216 US11021493, Example 135 Beta-secretase 1 Homo sapiens 866 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125000 459086568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043694 COC(C)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C24H27F3N4O4S/c1-14(34-3)12-35-21-11-29-19(10-30-21)18(27)9-15-4-5-17(26)16(8-15)23(2)20-6-7-24(13-25,22(28)31-23)36(20,32)33/h4-5,8-11,14,20H,6-7,12-13H2,1-3H3,(H2,28,31)/b18-9-/t14?,20-,23+,24-/m0/s1 CTZGUXODPFMCQQ-ANIOONFHSA-N 501217 US11021493, Example 136 Beta-secretase 1 Homo sapiens 51.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126119 459086569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043695 COC(C)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C24H27F3N4O4S/c1-14(34-3)12-35-21-11-29-19(10-30-21)18(27)9-15-4-5-17(26)16(8-15)23(2)20-6-7-24(13-25,22(28)31-23)36(20,32)33/h4-5,8-11,14,20H,6-7,12-13H2,1-3H3,(H2,28,31)/b18-9-/t14?,20-,23+,24-/m0/s1 CTZGUXODPFMCQQ-ANIOONFHSA-N 501217 US11021493, Example 136 Beta-secretase 1 Homo sapiens 218 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126119 459086569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043698 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C24H23F3N4O3S/c1-3-4-9-34-21-13-29-19(12-30-21)18(27)11-15-5-6-17(26)16(10-15)23(2)20-7-8-24(14-25,22(28)31-23)35(20,32)33/h5-6,10-13,20H,7-9,14H2,1-2H3,(H2,28,31)/b18-11-/t20-,23+,24-/m0/s1 MFITYXXWNTVXIF-JXOCDECTSA-N 501218 US11021493, Example 137 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125686 459086570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043699 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O InChI=1S/C24H23F3N4O3S/c1-3-4-9-34-21-13-29-19(12-30-21)18(27)11-15-5-6-17(26)16(10-15)23(2)20-7-8-24(14-25,22(28)31-23)35(20,32)33/h5-6,10-13,20H,7-9,14H2,1-2H3,(H2,28,31)/b18-11-/t20-,23+,24-/m0/s1 MFITYXXWNTVXIF-JXOCDECTSA-N 501218 US11021493, Example 137 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125686 459086570 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043702 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C22H21F2N5O3S/c1-4-9-32-19-13-26-18(12-27-19)17(24)11-14-5-6-16(23)15(10-14)21(2)22(7-8-22)33(30,31)29(3)20(25)28-21/h1,5-6,10-13H,7-9H2,2-3H3,(H2,25,28)/b17-11-/t21-/m1/s1 QCYDNORLXYCIKG-DGJFXRHUSA-N 501219 US11021493, Example 138 Beta-secretase 1 Homo sapiens 16.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125882 459086571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043703 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C22H21F2N5O3S/c1-4-9-32-19-13-26-18(12-27-19)17(24)11-14-5-6-16(23)15(10-14)21(2)22(7-8-22)33(30,31)29(3)20(25)28-21/h1,5-6,10-13H,7-9H2,2-3H3,(H2,25,28)/b17-11-/t21-/m1/s1 QCYDNORLXYCIKG-DGJFXRHUSA-N 501219 US11021493, Example 138 Beta-secretase 1 Homo sapiens 78.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125882 459086571 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043706 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 49.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043707 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 198 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043710 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1 WUKZYTGLWVNUQN-UOQNSFNTSA-N 501221 US11021493, Example 140::US11021493, Example 206 Beta-secretase 1 Homo sapiens 154 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125448 459086573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043711 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1 WUKZYTGLWVNUQN-UOQNSFNTSA-N 501221 US11021493, Example 140::US11021493, Example 206 Beta-secretase 1 Homo sapiens 241 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125448 459086573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043714 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C22H22F6N4O3S/c1-20(2)19(29)32-21(3,11-36(20,33)34)13-6-12(4-5-14(13)23)7-15(24)16-8-31-17(9-30-16)35-10-22(27,28)18(25)26/h4-9,18H,10-11H2,1-3H3,(H2,29,32)/b15-7-/t21-/m0/s1 NSGTWWITSMDGNM-HVMJPGQCSA-N 501222 US11021493, Example 141 Beta-secretase 1 Homo sapiens 55.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126015 459086574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043715 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C22H22F6N4O3S/c1-20(2)19(29)32-21(3,11-36(20,33)34)13-6-12(4-5-14(13)23)7-15(24)16-8-31-17(9-30-16)35-10-22(27,28)18(25)26/h4-9,18H,10-11H2,1-3H3,(H2,29,32)/b15-7-/t21-/m0/s1 NSGTWWITSMDGNM-HVMJPGQCSA-N 501222 US11021493, Example 141 Beta-secretase 1 Homo sapiens 229 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126015 459086574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043718 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCC(F)(F)F)cn2)ccc1F InChI=1S/C22H23F5N4O3S/c1-20(2)19(28)31-21(3,12-35(20,32)33)14-8-13(4-5-15(14)23)9-16(24)17-10-30-18(11-29-17)34-7-6-22(25,26)27/h4-5,8-11H,6-7,12H2,1-3H3,(H2,28,31)/b16-9-/t21-/m0/s1 VVDGHQXYLSRMAE-PMABOMALSA-N 501223 US11021493, Example 142 Beta-secretase 1 Homo sapiens 193 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125796 459086575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043719 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCC(F)(F)F)cn2)ccc1F InChI=1S/C22H23F5N4O3S/c1-20(2)19(28)31-21(3,12-35(20,32)33)14-8-13(4-5-15(14)23)9-16(24)17-10-30-18(11-29-17)34-7-6-22(25,26)27/h4-5,8-11H,6-7,12H2,1-3H3,(H2,28,31)/b16-9-/t21-/m0/s1 VVDGHQXYLSRMAE-PMABOMALSA-N 501223 US11021493, Example 142 Beta-secretase 1 Homo sapiens 739 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125796 459086575 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043722 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 44.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043723 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 380 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043726 CC1(C)C(NC(=O)OCC2CCCC2)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCC3)cn2)ccc1F InChI=1S/C32H40F2N4O5S/c1-31(2)29(37-30(39)43-19-22-10-6-7-11-22)38-32(3,20-44(31,40)41)24-14-23(12-13-25(24)33)15-26(34)27-16-36-28(17-35-27)42-18-21-8-4-5-9-21/h12-17,21-22H,4-11,18-20H2,1-3H3,(H,37,38,39)/b26-15-/t32-/m0/s1 HHBVICWPVVUFCB-LFEOVITLSA-N 501225 US11021493, Example 144 Beta-secretase 1 Homo sapiens 30.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135143912 459086576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043727 CC1(C)C(NC(=O)OCC2CCCC2)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCC3)cn2)ccc1F InChI=1S/C32H40F2N4O5S/c1-31(2)29(37-30(39)43-19-22-10-6-7-11-22)38-32(3,20-44(31,40)41)24-14-23(12-13-25(24)33)15-26(34)27-16-36-28(17-35-27)42-18-21-8-4-5-9-21/h12-17,21-22H,4-11,18-20H2,1-3H3,(H,37,38,39)/b26-15-/t32-/m0/s1 HHBVICWPVVUFCB-LFEOVITLSA-N 501225 US11021493, Example 144 Beta-secretase 1 Homo sapiens 1072 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501225&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135143912 459086576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043730 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCC3)cn2)ccc1F InChI=1S/C25H30F2N4O3S/c1-24(2)23(28)31-25(3,15-35(24,32)33)18-10-17(8-9-19(18)26)11-20(27)21-12-30-22(13-29-21)34-14-16-6-4-5-7-16/h8-13,16H,4-7,14-15H2,1-3H3,(H2,28,31)/b20-11-/t25-/m0/s1 HPOGOBXWTBVPBR-FLYZOPQXSA-N 501226 US11021493, Example 145 Beta-secretase 1 Homo sapiens 58.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126297 459086577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043731 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCC3)cn2)ccc1F InChI=1S/C25H30F2N4O3S/c1-24(2)23(28)31-25(3,15-35(24,32)33)18-10-17(8-9-19(18)26)11-20(27)21-12-30-22(13-29-21)34-14-16-6-4-5-7-16/h8-13,16H,4-7,14-15H2,1-3H3,(H2,28,31)/b20-11-/t25-/m0/s1 HPOGOBXWTBVPBR-FLYZOPQXSA-N 501226 US11021493, Example 145 Beta-secretase 1 Homo sapiens 518 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501226&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126297 459086577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043734 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043735 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043738 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043739 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043742 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C20H19F6N5O3S/c1-19(10-35(32,33)31(2)18(27)30-19)12-5-11(3-4-13(12)21)6-14(22)15-7-29-16(8-28-15)34-9-20(25,26)17(23)24/h3-8,17H,9-10H2,1-2H3,(H2,27,30)/b14-6-/t19-/m0/s1 CXUMXNSBNNATPZ-COXIKBTRSA-N 501229 US11021493, Example 148 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125591 459086578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043743 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F InChI=1S/C20H19F6N5O3S/c1-19(10-35(32,33)31(2)18(27)30-19)12-5-11(3-4-13(12)21)6-14(22)15-7-29-16(8-28-15)34-9-20(25,26)17(23)24/h3-8,17H,9-10H2,1-2H3,(H2,27,30)/b14-6-/t19-/m0/s1 CXUMXNSBNNATPZ-COXIKBTRSA-N 501229 US11021493, Example 148 Beta-secretase 1 Homo sapiens 88.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501229&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125591 459086578 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043746 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H22F2N4O3S/c1-3-9-32-20-13-27-19(12-28-20)18(25)11-15-5-6-17(24)16(10-15)22(2)14-33(30,31)23(7-4-8-23)21(26)29-22/h1,5-6,10-13H,4,7-9,14H2,2H3,(H2,26,29)/b18-11-/t22-/m0/s1 QYCDSDXRBNJUEM-OAIBDCNXSA-N 501230 US11021493, Example 149 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126393 459086579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043747 C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H22F2N4O3S/c1-3-9-32-20-13-27-19(12-28-20)18(25)11-15-5-6-17(24)16(10-15)22(2)14-33(30,31)23(7-4-8-23)21(26)29-22/h1,5-6,10-13H,4,7-9,14H2,2H3,(H2,26,29)/b18-11-/t22-/m0/s1 QYCDSDXRBNJUEM-OAIBDCNXSA-N 501230 US11021493, Example 149 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126393 459086579 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043750 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCCC3)cn2)ccc1F InChI=1S/C26H32F2N4O3S/c1-25(2)24(29)32-26(3,16-36(25,33)34)19-11-18(9-10-20(19)27)12-21(28)22-13-31-23(14-30-22)35-15-17-7-5-4-6-8-17/h9-14,17H,4-8,15-16H2,1-3H3,(H2,29,32)/b21-12-/t26-/m0/s1 IOWBZOMWBOXADA-VLXPNXCBSA-N 501231 US11021493, Example 150 Beta-secretase 1 Homo sapiens 46.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125948 459086580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043751 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCCC3)cn2)ccc1F InChI=1S/C26H32F2N4O3S/c1-25(2)24(29)32-26(3,16-36(25,33)34)19-11-18(9-10-20(19)27)12-21(28)22-13-31-23(14-30-22)35-15-17-7-5-4-6-8-17/h9-14,17H,4-8,15-16H2,1-3H3,(H2,29,32)/b21-12-/t26-/m0/s1 IOWBZOMWBOXADA-VLXPNXCBSA-N 501231 US11021493, Example 150 Beta-secretase 1 Homo sapiens 1615 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125948 459086580 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043754 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(19)8-24-15/h3-8H,9H2,1-2H3,(H2,23,25)/b13-6-/t18-/m0/s1 LDHMSPBNLUGPKX-BXIWPEDZSA-N 501232 (R,E)-3-amino-5-(5-(2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2,3-difluorophenyl)-2,5-dimethyl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide; and::US11021493, Example 151::US11021493, Example 152 Beta-secretase 1 Homo sapiens 240 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126175 459086581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043755 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(19)8-24-15/h3-8H,9H2,1-2H3,(H2,23,25)/b13-6-/t18-/m0/s1 LDHMSPBNLUGPKX-BXIWPEDZSA-N 501232 (R,E)-3-amino-5-(5-(2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2,3-difluorophenyl)-2,5-dimethyl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide; and::US11021493, Example 151::US11021493, Example 152 Beta-secretase 1 Homo sapiens 1420 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126175 459086581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043758 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(19)8-24-15/h3-8H,9H2,1-2H3,(H2,23,25)/b13-6-/t18-/m0/s1 LDHMSPBNLUGPKX-BXIWPEDZSA-N 501232 (R,E)-3-amino-5-(5-(2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2,3-difluorophenyl)-2,5-dimethyl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide; and::US11021493, Example 151::US11021493, Example 152 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126175 459086581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043759 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)12-5-10(7-14(21)16(12)22)6-13(20)15-4-3-11(19)8-24-15/h3-8H,9H2,1-2H3,(H2,23,25)/b13-6-/t18-/m0/s1 LDHMSPBNLUGPKX-BXIWPEDZSA-N 501232 (R,E)-3-amino-5-(5-(2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2,3-difluorophenyl)-2,5-dimethyl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide; and::US11021493, Example 151::US11021493, Example 152 Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126175 459086581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043762 CC(C)(COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#N InChI=1S/C24H27F2N5O3S/c1-22(2,12-27)13-34-20-11-29-19(10-30-20)18(26)9-15-6-7-17(25)16(8-15)24(5)14-35(32,33)23(3,4)21(28)31-24/h6-11H,13-14H2,1-5H3,(H2,28,31)/b18-9-/t24-/m0/s1 CGHXEXGJKJGEQE-WVDNMSGXSA-N 501234 US11021493, Example 153 Beta-secretase 1 Homo sapiens 636 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125631 459086582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043763 CC(C)(COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#N InChI=1S/C24H27F2N5O3S/c1-22(2,12-27)13-34-20-11-29-19(10-30-20)18(26)9-15-6-7-17(25)16(8-15)24(5)14-35(32,33)23(3,4)21(28)31-24/h6-11H,13-14H2,1-5H3,(H2,28,31)/b18-9-/t24-/m0/s1 CGHXEXGJKJGEQE-WVDNMSGXSA-N 501234 US11021493, Example 153 Beta-secretase 1 Homo sapiens 2185 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125631 459086582 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043766 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H24F2N4O3S/c1-5-6-9-32-20-13-27-19(12-28-20)18(25)11-15-7-8-17(24)16(10-15)23(4)14-33(30,31)22(2,3)21(26)29-23/h7-8,10-13H,9,14H2,1-4H3,(H2,26,29)/b18-11-/t23-/m0/s1 DSWMKUAMCWTEKL-RXATWSHQSA-N 501235 US11021493, Example 154 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126139 459086583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043767 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H24F2N4O3S/c1-5-6-9-32-20-13-27-19(12-28-20)18(25)11-15-7-8-17(24)16(10-15)23(4)14-33(30,31)22(2,3)21(26)29-23/h7-8,10-13H,9,14H2,1-4H3,(H2,26,29)/b18-11-/t23-/m0/s1 DSWMKUAMCWTEKL-RXATWSHQSA-N 501235 US11021493, Example 154 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126139 459086583 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043770 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3ccnc3)cn2)ccc1F InChI=1S/C24H26F2N6O3S/c1-23(2)22(27)31-24(3,14-36(23,33)34)17-10-16(4-5-18(17)25)11-19(26)20-12-30-21(13-29-20)35-9-8-32-7-6-28-15-32/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,27,31)/b19-11-/t24-/m0/s1 FHCYHUXVOJOSFM-AYUSBESLSA-N 501236 US11021493, Example 155 Beta-secretase 1 Homo sapiens 5135 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126368 459086584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043771 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3ccnc3)cn2)ccc1F InChI=1S/C24H26F2N6O3S/c1-23(2)22(27)31-24(3,14-36(23,33)34)17-10-16(4-5-18(17)25)11-19(26)20-12-30-21(13-29-20)35-9-8-32-7-6-28-15-32/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,27,31)/b19-11-/t24-/m0/s1 FHCYHUXVOJOSFM-AYUSBESLSA-N 501236 US11021493, Example 155 Beta-secretase 1 Homo sapiens 985 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126368 459086584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043774 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3cc(Br)cn3)cn2)ccc1F InChI=1S/C24H25BrF2N6O3S/c1-23(2)22(28)32-24(3,14-37(23,34)35)17-8-15(4-5-18(17)26)9-19(27)20-11-30-21(12-29-20)36-7-6-33-13-16(25)10-31-33/h4-5,8-13H,6-7,14H2,1-3H3,(H2,28,32)/b19-9-/t24-/m0/s1 PLXUUUAENJWVFY-CEDFBSMGSA-N 501237 US11021493, Example 156::US11021493, Example 157 Beta-secretase 1 Homo sapiens 96.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125657 459086585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043775 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3cc(Br)cn3)cn2)ccc1F InChI=1S/C24H25BrF2N6O3S/c1-23(2)22(28)32-24(3,14-37(23,34)35)17-8-15(4-5-18(17)26)9-19(27)20-11-30-21(12-29-20)36-7-6-33-13-16(25)10-31-33/h4-5,8-13H,6-7,14H2,1-3H3,(H2,28,32)/b19-9-/t24-/m0/s1 PLXUUUAENJWVFY-CEDFBSMGSA-N 501237 US11021493, Example 156::US11021493, Example 157 Beta-secretase 1 Homo sapiens 1315 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125657 459086585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043778 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3cc(Br)cn3)cn2)ccc1F InChI=1S/C24H25BrF2N6O3S/c1-23(2)22(28)32-24(3,14-37(23,34)35)17-8-15(4-5-18(17)26)9-19(27)20-11-30-21(12-29-20)36-7-6-33-13-16(25)10-31-33/h4-5,8-13H,6-7,14H2,1-3H3,(H2,28,32)/b19-9-/t24-/m0/s1 PLXUUUAENJWVFY-CEDFBSMGSA-N 501237 US11021493, Example 156::US11021493, Example 157 Beta-secretase 1 Homo sapiens 187 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125657 459086585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043779 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3cc(Br)cn3)cn2)ccc1F InChI=1S/C24H25BrF2N6O3S/c1-23(2)22(28)32-24(3,14-37(23,34)35)17-8-15(4-5-18(17)26)9-19(27)20-11-30-21(12-29-20)36-7-6-33-13-16(25)10-31-33/h4-5,8-13H,6-7,14H2,1-3H3,(H2,28,32)/b19-9-/t24-/m0/s1 PLXUUUAENJWVFY-CEDFBSMGSA-N 501237 US11021493, Example 156::US11021493, Example 157 Beta-secretase 1 Homo sapiens 181 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125657 459086585 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043782 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F InChI=1S/C17H15ClF3N5O2S/c1-17(8-29(27,28)26(2)16(22)25-17)10-3-9(5-12(20)15(10)21)4-11(19)13-6-24-14(18)7-23-13/h3-7H,8H2,1-2H3,(H2,22,25)/b11-4-/t17-/m0/s1 BJAINYSMFWDFJZ-OSCZDJLXSA-N 501239 US11021493, Example 158 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125598 459086586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043783 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F InChI=1S/C17H15ClF3N5O2S/c1-17(8-29(27,28)26(2)16(22)25-17)10-3-9(5-12(20)15(10)21)4-11(19)13-6-24-14(18)7-23-13/h3-7H,8H2,1-2H3,(H2,22,25)/b11-4-/t17-/m0/s1 BJAINYSMFWDFJZ-OSCZDJLXSA-N 501239 US11021493, Example 158 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125598 459086586 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043786 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H19ClF2N4O2S/c1-18(2)17(23)26-19(3,10-29(18,27)28)12-6-11(4-5-13(12)21)7-14(22)15-8-25-16(20)9-24-15/h4-9H,10H2,1-3H3,(H2,23,26)/b14-7-/t19-/m0/s1 PYRDHKWVKUYQAH-MWNFOORISA-N 501240 US11021493, Example 159 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125035 459086587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043787 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H19ClF2N4O2S/c1-18(2)17(23)26-19(3,10-29(18,27)28)12-6-11(4-5-13(12)21)7-14(22)15-8-25-16(20)9-24-15/h4-9H,10H2,1-3H3,(H2,23,26)/b14-7-/t19-/m0/s1 PYRDHKWVKUYQAH-MWNFOORISA-N 501240 US11021493, Example 159 Beta-secretase 1 Homo sapiens 27.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125035 459086587 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043790 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C23H24F2N4O3S/c1-6-14(2)32-20-12-27-19(11-28-20)18(25)10-15-7-8-17(24)16(9-15)23(5)13-33(30,31)22(3,4)21(26)29-23/h1,7-12,14H,13H2,2-5H3,(H2,26,29)/b18-10-/t14-,23-/m0/s1 HJRRATSHBYTWBD-XKUBVJQTSA-N 501241 US11021493, Example 160::US11021493, Example 171 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125680 459086588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043791 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C23H24F2N4O3S/c1-6-14(2)32-20-12-27-19(11-28-20)18(25)10-15-7-8-17(24)16(9-15)23(5)13-33(30,31)22(3,4)21(26)29-23/h1,7-12,14H,13H2,2-5H3,(H2,26,29)/b18-10-/t14-,23-/m0/s1 HJRRATSHBYTWBD-XKUBVJQTSA-N 501241 US11021493, Example 160::US11021493, Example 171 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125680 459086588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043794 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 80.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043795 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 48.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043798 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 65.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043799 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 168 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043802 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 133 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043803 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 1117 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043806 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043807 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1 XKGVHXNXXZBFGM-LBWZGELYSA-N 501192 US11021493, Example 111::US11021493, Example 143::US11021493, Example 146::US11021493, Example 164 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125936 459086546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043810 CC#CCOc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C21H20F3N5O3S/c1-4-5-6-32-18-11-26-17(10-27-18)15(22)8-13-7-14(19(24)16(23)9-13)21(2)12-33(30,31)29(3)20(25)28-21/h7-11H,6,12H2,1-3H3,(H2,25,28)/b15-8-/t21-/m0/s1 WTKQJNKMIICWFI-JHHPEZKVSA-N 501246 US11021493, Example 165 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126435 459086589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043811 CC#CCOc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C21H20F3N5O3S/c1-4-5-6-32-18-11-26-17(10-27-18)15(22)8-13-7-14(19(24)16(23)9-13)21(2)12-33(30,31)29(3)20(25)28-21/h7-11H,6,12H2,1-3H3,(H2,25,28)/b15-8-/t21-/m0/s1 WTKQJNKMIICWFI-JHHPEZKVSA-N 501246 US11021493, Example 165 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126435 459086589 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043814 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)cc(F)c1F InChI=1S/C21H19F3N6O4S/c1-21(11-35(31,32)30(2)20(25)29-21)13-5-12(7-15(23)19(13)24)6-14(22)16-8-28-17(9-27-16)34-10-18-26-3-4-33-18/h3-9H,10-11H2,1-2H3,(H2,25,29)/b14-6-/t21-/m0/s1 LIGPEDYCRLXVKG-XLPSYMGOSA-N 501247 US11021493, Example 166 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125911 459086590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043815 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)cc(F)c1F InChI=1S/C21H19F3N6O4S/c1-21(11-35(31,32)30(2)20(25)29-21)13-5-12(7-15(23)19(13)24)6-14(22)16-8-28-17(9-27-16)34-10-18-26-3-4-33-18/h3-9H,10-11H2,1-2H3,(H2,25,29)/b14-6-/t21-/m0/s1 LIGPEDYCRLXVKG-XLPSYMGOSA-N 501247 US11021493, Example 166 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125911 459086590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043818 C[C@H](Oc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1)C#C InChI=1S/C21H20F3N5O3S/c1-5-12(2)32-18-10-26-17(9-27-18)15(22)7-13-6-14(19(24)16(23)8-13)21(3)11-33(30,31)29(4)20(25)28-21/h1,6-10,12H,11H2,2-4H3,(H2,25,28)/b15-7-/t12-,21-/m0/s1 KRUFNKSTSLXHAF-IFIJVCIQSA-N 501248 US11021493, Example 167 Beta-secretase 1 Homo sapiens <1 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126108 459086591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043819 C[C@H](Oc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1)C#C InChI=1S/C21H20F3N5O3S/c1-5-12(2)32-18-10-26-17(9-27-18)15(22)7-13-6-14(19(24)16(23)8-13)21(3)11-33(30,31)29(4)20(25)28-21/h1,6-10,12H,11H2,2-4H3,(H2,25,28)/b15-7-/t12-,21-/m0/s1 KRUFNKSTSLXHAF-IFIJVCIQSA-N 501248 US11021493, Example 167 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126108 459086591 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043822 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C21H21F2N5O3S/c1-4-5-8-31-19-12-25-18(11-26-19)17(23)10-14-6-7-16(22)15(9-14)21(2)13-32(29,30)28(3)20(24)27-21/h6-7,9-12H,8,13H2,1-3H3,(H2,24,27)/b17-10-/t21-/m0/s1 OHAPAGNWIJPFAM-OIOSCTRGSA-N 501249 US11021493, Example 168 Beta-secretase 1 Homo sapiens <1 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126298 459086592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043823 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C21H21F2N5O3S/c1-4-5-8-31-19-12-25-18(11-26-19)17(23)10-14-6-7-16(22)15(9-14)21(2)13-32(29,30)28(3)20(24)27-21/h6-7,9-12H,8,13H2,1-3H3,(H2,24,27)/b17-10-/t21-/m0/s1 OHAPAGNWIJPFAM-OIOSCTRGSA-N 501249 US11021493, Example 168 Beta-secretase 1 Homo sapiens <1 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126298 459086592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043826 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 66.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043827 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O InChI=1S/C19H18ClF2N5O2S/c1-18(19(5-6-19)30(28,29)27(2)17(23)26-18)12-7-11(3-4-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,23,26)/b14-8-/t18-/m1/s1 SVTNCINHMKABHR-DVNIYVAHSA-N 501220 US11021493, Example 139::US11021493, Example 147::US11021493, Example 161::US11021493, Example 162::US11021493, Example 163::US11021493, Example 169 Beta-secretase 1 Homo sapiens 124 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125041 459086572 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043830 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O2S/c1-19(2)18(24)27-20(3,11-30(19,28)29)14-6-12(4-5-15(14)21)7-16(22)17-10-25-13(8-23)9-26-17/h4-7,9-10H,11H2,1-3H3,(H2,24,27)/b16-7-/t20-/m0/s1 UJZXDTOBDWUJSM-YYFKYVOKSA-N 501251 US11021493, Example 170 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125725 459086593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043831 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H19F2N5O2S/c1-19(2)18(24)27-20(3,11-30(19,28)29)14-6-12(4-5-15(14)21)7-16(22)17-10-25-13(8-23)9-26-17/h4-7,9-10H,11H2,1-3H3,(H2,24,27)/b16-7-/t20-/m0/s1 UJZXDTOBDWUJSM-YYFKYVOKSA-N 501251 US11021493, Example 170 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125725 459086593 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043834 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C23H24F2N4O3S/c1-6-14(2)32-20-12-27-19(11-28-20)18(25)10-15-7-8-17(24)16(9-15)23(5)13-33(30,31)22(3,4)21(26)29-23/h1,7-12,14H,13H2,2-5H3,(H2,26,29)/b18-10-/t14-,23-/m0/s1 HJRRATSHBYTWBD-XKUBVJQTSA-N 501241 US11021493, Example 160::US11021493, Example 171 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125680 459086588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043835 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C23H24F2N4O3S/c1-6-14(2)32-20-12-27-19(11-28-20)18(25)10-15-7-8-17(24)16(9-15)23(5)13-33(30,31)22(3,4)21(26)29-23/h1,7-12,14H,13H2,2-5H3,(H2,26,29)/b18-10-/t14-,23-/m0/s1 HJRRATSHBYTWBD-XKUBVJQTSA-N 501241 US11021493, Example 160::US11021493, Example 171 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125680 459086588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043838 COC(C)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H28F2N4O4S/c1-14(32-5)12-33-20-11-27-19(10-28-20)18(25)9-15-6-7-17(24)16(8-15)23(4)13-34(30,31)22(2,3)21(26)29-23/h6-11,14H,12-13H2,1-5H3,(H2,26,29)/b18-9-/t14?,23-/m0/s1 XITXSPNULANOFE-NGUFGGHJSA-N 501253 US11021493, Example 172 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370046 459086594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043839 COC(C)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H28F2N4O4S/c1-14(32-5)12-33-20-11-27-19(10-28-20)18(25)9-15-6-7-17(24)16(8-15)23(4)13-34(30,31)22(2,3)21(26)29-23/h6-11,14H,12-13H2,1-5H3,(H2,26,29)/b18-9-/t14?,23-/m0/s1 XITXSPNULANOFE-NGUFGGHJSA-N 501253 US11021493, Example 172 Beta-secretase 1 Homo sapiens 23.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370046 459086594 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043842 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)ccc1F InChI=1S/C21H21F2N7O4S/c1-12-28-29-19(34-12)10-33-18-9-25-17(8-26-18)16(23)7-13-4-5-15(22)14(6-13)21(2)11-35(31,32)30(3)20(24)27-21/h4-9H,10-11H2,1-3H3,(H2,24,27)/b16-7-/t21-/m0/s1 YQKXMIXGTDOFGL-KGSBYCFNSA-N 501254 US11021493, Example 173 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125863 459086595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043843 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)ccc1F InChI=1S/C21H21F2N7O4S/c1-12-28-29-19(34-12)10-33-18-9-25-17(8-26-18)16(23)7-13-4-5-15(22)14(6-13)21(2)11-35(31,32)30(3)20(24)27-21/h4-9H,10-11H2,1-3H3,(H2,24,27)/b16-7-/t21-/m0/s1 YQKXMIXGTDOFGL-KGSBYCFNSA-N 501254 US11021493, Example 173 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125863 459086595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043846 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(CC3CCC3)cn2)ccc1F InChI=1S/C24H28F2N4O2S/c1-23(2)22(27)30-24(3,14-33(23,31)32)18-10-16(7-8-19(18)25)11-20(26)21-13-28-17(12-29-21)9-15-5-4-6-15/h7-8,10-13,15H,4-6,9,14H2,1-3H3,(H2,27,30)/b20-11-/t24-/m0/s1 KBBAXWFMKCNDOT-NORABOHISA-N 501255 US11021493, Example 174 Beta-secretase 1 Homo sapiens 154 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370047 459086596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043847 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(CC3CCC3)cn2)ccc1F InChI=1S/C24H28F2N4O2S/c1-23(2)22(27)30-24(3,14-33(23,31)32)18-10-16(7-8-19(18)25)11-20(26)21-13-28-17(12-29-21)9-15-5-4-6-15/h7-8,10-13,15H,4-6,9,14H2,1-3H3,(H2,27,30)/b20-11-/t24-/m0/s1 KBBAXWFMKCNDOT-NORABOHISA-N 501255 US11021493, Example 174 Beta-secretase 1 Homo sapiens 1405 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370047 459086596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043850 Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)n1 InChI=1S/C23H24F2N6O4S/c1-13-29-20(35-31-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)30-23/h5-10H,11-12H2,1-4H3,(H2,26,30)/b17-8-/t23-/m0/s1 GXLKQUWFCPVUFB-GFLLXWSHSA-N 501256 US11021493, Example 175 Beta-secretase 1 Homo sapiens 88.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126287 459086597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043851 Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)n1 InChI=1S/C23H24F2N6O4S/c1-13-29-20(35-31-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)30-23/h5-10H,11-12H2,1-4H3,(H2,26,30)/b17-8-/t23-/m0/s1 GXLKQUWFCPVUFB-GFLLXWSHSA-N 501256 US11021493, Example 175 Beta-secretase 1 Homo sapiens 53.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126287 459086597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043854 Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)o1 InChI=1S/C23H24F2N6O4S/c1-13-30-31-20(35-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)29-23/h5-10H,11-12H2,1-4H3,(H2,26,29)/b17-8-/t23-/m0/s1 SXCBJHXUAARZQO-GFLLXWSHSA-N 501257 US11021493, Example 176 Beta-secretase 1 Homo sapiens 111 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125169 459086598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043855 Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)o1 InChI=1S/C23H24F2N6O4S/c1-13-30-31-20(35-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)29-23/h5-10H,11-12H2,1-4H3,(H2,26,29)/b17-8-/t23-/m0/s1 SXCBJHXUAARZQO-GFLLXWSHSA-N 501257 US11021493, Example 176 Beta-secretase 1 Homo sapiens 56.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125169 459086598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043858 CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C24H26F2N4O3S/c1-6-16(7-2)33-21-13-28-20(12-29-21)19(26)11-15-8-9-18(25)17(10-15)24(5)14-34(31,32)23(3,4)22(27)30-24/h1,8-13,16H,7,14H2,2-5H3,(H2,27,30)/b19-11-/t16-,24-/m0/s1 NLPJNTRVQWYDNT-QQMPJMTPSA-N 501258 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-pent-1-yn-3-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 177 Beta-secretase 1 Homo sapiens 208 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125857 459086599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043859 CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C24H26F2N4O3S/c1-6-16(7-2)33-21-13-28-20(12-29-21)19(26)11-15-8-9-18(25)17(10-15)24(5)14-34(31,32)23(3,4)22(27)30-24/h1,8-13,16H,7,14H2,2-5H3,(H2,27,30)/b19-11-/t16-,24-/m0/s1 NLPJNTRVQWYDNT-QQMPJMTPSA-N 501258 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-pent-1-yn-3-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 177 Beta-secretase 1 Homo sapiens 600 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501258&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125857 459086599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043862 CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C24H26F2N4O3S/c1-6-16(7-2)33-21-13-28-20(12-29-21)19(26)11-15-8-9-18(25)17(10-15)24(5)14-34(31,32)23(3,4)22(27)30-24/h1,8-13,16H,7,14H2,2-5H3,(H2,27,30)/b19-11-/t16-,24+/m1/s1 NLPJNTRVQWYDNT-RVNHIENGSA-N 501259 US11021493, Example 178 Beta-secretase 1 Homo sapiens 3.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125158 459086600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043863 CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C24H26F2N4O3S/c1-6-16(7-2)33-21-13-28-20(12-29-21)19(26)11-15-8-9-18(25)17(10-15)24(5)14-34(31,32)23(3,4)22(27)30-24/h1,8-13,16H,7,14H2,2-5H3,(H2,27,30)/b19-11-/t16-,24+/m1/s1 NLPJNTRVQWYDNT-RVNHIENGSA-N 501259 US11021493, Example 178 Beta-secretase 1 Homo sapiens 22.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501259&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125158 459086600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043866 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F InChI=1S/C21H23F2N5O4S/c1-21(12-33(29,30)28(2)20(24)27-21)15-5-13(3-4-16(15)22)6-17(23)18-7-26-19(8-25-18)32-11-14-9-31-10-14/h3-8,14H,9-12H2,1-2H3,(H2,24,27)/b17-6-/t21-/m0/s1 WBRXXNXHEOFRHH-KVUYCWINSA-N 501260 US11021493, Example 179 Beta-secretase 1 Homo sapiens 176 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125962 459086601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043867 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F InChI=1S/C21H23F2N5O4S/c1-21(12-33(29,30)28(2)20(24)27-21)15-5-13(3-4-16(15)22)6-17(23)18-7-26-19(8-25-18)32-11-14-9-31-10-14/h3-8,14H,9-12H2,1-2H3,(H2,24,27)/b17-6-/t21-/m0/s1 WBRXXNXHEOFRHH-KVUYCWINSA-N 501260 US11021493, Example 179 Beta-secretase 1 Homo sapiens 120 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501260&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125962 459086601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043870 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C21H21F2N5O2S/c1-20(2)21(3,27-19(25)28(4)31(20,29)30)15-9-13(5-7-16(15)22)10-17(23)18-8-6-14(11-24)12-26-18/h5-10,12H,1-4H3,(H2,25,27)/b17-10-/t21-/m1/s1 QEYADQLWMCYXIK-SYEXPRJDSA-N 501261 US11021493, Example 180 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125902 459086602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043871 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C21H21F2N5O2S/c1-20(2)21(3,27-19(25)28(4)31(20,29)30)15-9-13(5-7-16(15)22)10-17(23)18-8-6-14(11-24)12-26-18/h5-10,12H,1-4H3,(H2,25,27)/b17-10-/t21-/m1/s1 QEYADQLWMCYXIK-SYEXPRJDSA-N 501261 US11021493, Example 180 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501261&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125902 459086602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043874 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(cn3)C#N)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C20H20F2N6O2S/c1-19(2)20(3,27-18(24)28(4)31(19,29)30)14-7-12(5-6-15(14)21)8-16(22)17-11-25-13(9-23)10-26-17/h5-8,10-11H,1-4H3,(H2,24,27)/b16-8-/t20-/m1/s1 DMTMESPCPCYRAA-ATPWARJRSA-N 501262 US11021493, Example 181 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125939 459086603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043875 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(cn3)C#N)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C20H20F2N6O2S/c1-19(2)20(3,27-18(24)28(4)31(19,29)30)14-7-12(5-6-15(14)21)8-16(22)17-11-25-13(9-23)10-26-17/h5-8,10-11H,1-4H3,(H2,24,27)/b16-8-/t20-/m1/s1 DMTMESPCPCYRAA-ATPWARJRSA-N 501262 US11021493, Example 181 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501262&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125939 459086603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043878 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C19H20ClF2N5O2S/c1-18(2)19(3,26-17(23)27(4)30(18,28)29)12-7-11(5-6-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h5-10H,1-4H3,(H2,23,26)/b14-8-/t19-/m1/s1 JFCZXXJLXOPJMI-YXZIBZLCSA-N 501263 US11021493, Example 182 Beta-secretase 1 Homo sapiens 39.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125665 459086604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043879 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C19H20ClF2N5O2S/c1-18(2)19(3,26-17(23)27(4)30(18,28)29)12-7-11(5-6-13(12)21)8-14(22)15-9-25-16(20)10-24-15/h5-10H,1-4H3,(H2,23,26)/b14-8-/t19-/m1/s1 JFCZXXJLXOPJMI-YXZIBZLCSA-N 501263 US11021493, Example 182 Beta-secretase 1 Homo sapiens 318 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501263&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125665 459086604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043882 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C22H23F2N5O3S/c1-6-9-32-19-13-26-18(12-27-19)17(24)11-14-7-8-16(23)15(10-14)22(4)21(2,3)33(30,31)29(5)20(25)28-22/h1,7-8,10-13H,9H2,2-5H3,(H2,25,28)/b17-11-/t22-/m1/s1 KDVQLADDYCIUTD-CJBPROBKSA-N 501264 US11021493, Example 183 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125028 459086605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043883 CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C(C)(C)S1(=O)=O InChI=1S/C22H23F2N5O3S/c1-6-9-32-19-13-26-18(12-27-19)17(24)11-14-7-8-16(23)15(10-14)22(4)21(2,3)33(30,31)29(5)20(25)28-22/h1,7-8,10-13H,9H2,2-5H3,(H2,25,28)/b17-11-/t22-/m1/s1 KDVQLADDYCIUTD-CJBPROBKSA-N 501264 US11021493, Example 183 Beta-secretase 1 Homo sapiens 75.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501264&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125028 459086605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043886 CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=N[C@@](C)(CS(=O)(=O)C1(C)C)c1cc(ccc1F)B1OC(C)(C)C(C)(C)O1 InChI=1S/C29H44BFN2O8S/c1-24(2,3)38-22(34)33(23(35)39-25(4,5)6)21-26(7,8)42(36,37)17-29(13,32-21)19-16-18(14-15-20(19)31)30-40-27(9,10)28(11,12)41-30/h14-16H,17H2,1-13H3/t29-/m0/s1 UVWXWBAYFVEZFX-LJAQVGFWSA-N 501265 US11021493, Example 184 Beta-secretase 1 Homo sapiens 296 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142379413 459086606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043887 CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=N[C@@](C)(CS(=O)(=O)C1(C)C)c1cc(ccc1F)B1OC(C)(C)C(C)(C)O1 InChI=1S/C29H44BFN2O8S/c1-24(2,3)38-22(34)33(23(35)39-25(4,5)6)21-26(7,8)42(36,37)17-29(13,32-21)19-16-18(14-15-20(19)31)30-40-27(9,10)28(11,12)41-30/h14-16H,17H2,1-13H3/t29-/m0/s1 UVWXWBAYFVEZFX-LJAQVGFWSA-N 501265 US11021493, Example 184 Beta-secretase 1 Homo sapiens 277 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501265&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 142379413 459086606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043890 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C InChI=1S/C23H25F2N5O3S/c1-6-7-10-33-20-14-27-19(13-28-20)18(25)12-15-8-9-17(24)16(11-15)23(4)22(2,3)34(31,32)30(5)21(26)29-23/h8-9,11-14H,10H2,1-5H3,(H2,26,29)/b18-12-/t23-/m1/s1 GITRIHOLBUKCBI-KELOHDTKSA-N 501266 US11021493, Example 185 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125444 459086607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043891 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C InChI=1S/C23H25F2N5O3S/c1-6-7-10-33-20-14-27-19(13-28-20)18(25)12-15-8-9-17(24)16(11-15)23(4)22(2,3)34(31,32)30(5)21(26)29-23/h8-9,11-14H,10H2,1-5H3,(H2,26,29)/b18-12-/t23-/m1/s1 GITRIHOLBUKCBI-KELOHDTKSA-N 501266 US11021493, Example 185 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501266&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125444 459086607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043894 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C)C#C InChI=1S/C23H25F2N5O3S/c1-7-14(2)33-20-13-27-19(12-28-20)18(25)11-15-8-9-17(24)16(10-15)23(5)22(3,4)34(31,32)30(6)21(26)29-23/h1,8-14H,2-6H3,(H2,26,29)/b18-11-/t14-,23+/m0/s1 CPXPAHAUMSSSPU-IHJZIOCDSA-N 501267 US11021493, Example 186 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125692 459086608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043895 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C)C#C InChI=1S/C23H25F2N5O3S/c1-7-14(2)33-20-13-27-19(12-28-20)18(25)11-15-8-9-17(24)16(10-15)23(5)22(3,4)34(31,32)30(6)21(26)29-23/h1,8-14H,2-6H3,(H2,26,29)/b18-11-/t14-,23+/m0/s1 CPXPAHAUMSSSPU-IHJZIOCDSA-N 501267 US11021493, Example 186 Beta-secretase 1 Homo sapiens 24.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125692 459086608 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043898 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-20(11-31(27,28)26(2)19(23)25-20)13-7-12(3-4-14(13)21)8-15(22)16-9-17-18(10-24-16)30-6-5-29-17/h3-4,7-10H,5-6,11H2,1-2H3,(H2,23,25)/b15-8-/t20-/m0/s1 OSQAZQUQGDXQMJ-SLPYIPCOSA-N 501268 US11021493, Example 187 Beta-secretase 1 Homo sapiens 172 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125777 459086609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043899 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C20H20F2N4O4S/c1-20(11-31(27,28)26(2)19(23)25-20)13-7-12(3-4-14(13)21)8-15(22)16-9-17-18(10-24-16)30-6-5-29-17/h3-4,7-10H,5-6,11H2,1-2H3,(H2,23,25)/b15-8-/t20-/m0/s1 OSQAZQUQGDXQMJ-SLPYIPCOSA-N 501268 US11021493, Example 187 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501268&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125777 459086609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043902 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H19F3N4O2S/c1-20(2)19(26)28-21(11-22,12-31(20,29)30)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(9-25)10-27-18/h3-8,10H,11-12H2,1-2H3,(H2,26,28)/b17-8-/t21-/m0/s1 MGXHOZFRCAHSIL-NLOKWTDQSA-N 501269 US11021493, Example 188 Beta-secretase 1 Homo sapiens 13.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126473 459086610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043903 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H19F3N4O2S/c1-20(2)19(26)28-21(11-22,12-31(20,29)30)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(9-25)10-27-18/h3-8,10H,11-12H2,1-2H3,(H2,26,28)/b17-8-/t21-/m0/s1 MGXHOZFRCAHSIL-NLOKWTDQSA-N 501269 US11021493, Example 188 Beta-secretase 1 Homo sapiens 222 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501269&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126473 459086610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043906 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H18ClF3N4O2S/c1-18(2)17(24)27-19(9-21,10-30(18,28)29)12-5-11(3-4-13(12)22)6-14(23)15-7-26-16(20)8-25-15/h3-8H,9-10H2,1-2H3,(H2,24,27)/b14-6-/t19-/m0/s1 FCUVGJUTFWKTDD-COXIKBTRSA-N 501270 US11021493, Example 189 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125173 459086611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043907 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C19H18ClF3N4O2S/c1-18(2)17(24)27-19(9-21,10-30(18,28)29)12-5-11(3-4-13(12)22)6-14(23)15-7-26-16(20)8-25-15/h3-8H,9-10H2,1-2H3,(H2,24,27)/b14-6-/t19-/m0/s1 FCUVGJUTFWKTDD-COXIKBTRSA-N 501270 US11021493, Example 189 Beta-secretase 1 Homo sapiens 2220 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501270&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125173 459086611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043910 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H21F3N4O3S/c1-4-7-32-19-11-27-18(10-28-19)17(25)9-14-5-6-16(24)15(8-14)22(12-23)13-33(30,31)21(2,3)20(26)29-22/h1,5-6,8-11H,7,12-13H2,2-3H3,(H2,26,29)/b17-9-/t22-/m0/s1 RXBIUOSYSOGINZ-IFRKUXIOSA-N 501271 US11021493, Example 190 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125533 459086612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043911 CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H21F3N4O3S/c1-4-7-32-19-11-27-18(10-28-19)17(25)9-14-5-6-16(24)15(8-14)22(12-23)13-33(30,31)21(2,3)20(26)29-22/h1,5-6,8-11H,7,12-13H2,2-3H3,(H2,26,29)/b17-9-/t22-/m0/s1 RXBIUOSYSOGINZ-IFRKUXIOSA-N 501271 US11021493, Example 190 Beta-secretase 1 Homo sapiens 74.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501271&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125533 459086612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043914 CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C(F)(F)S1(=O)=O InChI=1S/C19H17ClF4N4O2S/c1-17(2)16(25)28-18(3,19(23,24)31(17,29)30)11-6-10(4-5-12(11)21)7-13(22)14-8-27-15(20)9-26-14/h4-9H,1-3H3,(H2,25,28)/b13-7-/t18-/m1/s1 HEUJXUTVZDSLGX-MEVIEEELSA-N 501272 US11021493, Example 191 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126397 459086613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043915 CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C(F)(F)S1(=O)=O InChI=1S/C19H17ClF4N4O2S/c1-17(2)16(25)28-18(3,19(23,24)31(17,29)30)11-6-10(4-5-12(11)21)7-13(22)14-8-27-15(20)9-26-14/h4-9H,1-3H3,(H2,25,28)/b13-7-/t18-/m1/s1 HEUJXUTVZDSLGX-MEVIEEELSA-N 501272 US11021493, Example 191 Beta-secretase 1 Homo sapiens 5090 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501272&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126397 459086613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043918 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C21H19F3N4O2S/c1-20(2)19(26)28-21(3,11-31(20,29)30)14-6-13(8-16(23)18(14)24)7-15(22)17-5-4-12(9-25)10-27-17/h4-8,10H,11H2,1-3H3,(H2,26,28)/b15-7-/t21-/m0/s1 BQVXXVMHASLYMT-HVMJPGQCSA-N 501273 US11021493, Example 192 Beta-secretase 1 Homo sapiens 12.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126388 459086614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043919 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F InChI=1S/C21H19F3N4O2S/c1-20(2)19(26)28-21(3,11-31(20,29)30)14-6-13(8-16(23)18(14)24)7-15(22)17-5-4-12(9-25)10-27-17/h4-8,10H,11H2,1-3H3,(H2,26,28)/b15-7-/t21-/m0/s1 BQVXXVMHASLYMT-HVMJPGQCSA-N 501273 US11021493, Example 192 Beta-secretase 1 Homo sapiens 35.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501273&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126388 459086614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043922 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F InChI=1S/C19H18ClF3N4O2S/c1-18(2)17(24)27-19(3,9-30(18,28)29)11-4-10(6-13(22)16(11)23)5-12(21)14-7-26-15(20)8-25-14/h4-8H,9H2,1-3H3,(H2,24,27)/b12-5-/t19-/m0/s1 IEPNSQMIJLNBIV-RSSRPAAFSA-N 501274 US11021493, Example 193 Beta-secretase 1 Homo sapiens 121 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125864 459086615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043923 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F InChI=1S/C19H18ClF3N4O2S/c1-18(2)17(24)27-19(3,9-30(18,28)29)11-4-10(6-13(22)16(11)23)5-12(21)14-7-26-15(20)8-25-14/h4-8H,9H2,1-3H3,(H2,24,27)/b12-5-/t19-/m0/s1 IEPNSQMIJLNBIV-RSSRPAAFSA-N 501274 US11021493, Example 193 Beta-secretase 1 Homo sapiens 833 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125864 459086615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043926 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H23F3N4O3S/c1-4-5-8-33-20-12-28-19(11-29-20)18(26)10-15-6-7-17(25)16(9-15)23(13-24)14-34(31,32)22(2,3)21(27)30-23/h6-7,9-12H,8,13-14H2,1-3H3,(H2,27,30)/b18-10-/t23-/m0/s1 BMAFGXFXMDCLOZ-ASDHTPKVSA-N 501275 US11021493, Example 194 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126385 459086616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043927 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C23H23F3N4O3S/c1-4-5-8-33-20-12-28-19(11-29-20)18(26)10-15-6-7-17(25)16(9-15)23(13-24)14-34(31,32)22(2,3)21(27)30-23/h6-7,9-12H,8,13-14H2,1-3H3,(H2,27,30)/b18-10-/t23-/m0/s1 BMAFGXFXMDCLOZ-ASDHTPKVSA-N 501275 US11021493, Example 194 Beta-secretase 1 Homo sapiens 55.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501275&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126385 459086616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043930 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C23H23F3N4O3S/c1-5-14(2)33-20-11-28-19(10-29-20)18(26)9-15-6-7-17(25)16(8-15)23(12-24)13-34(31,32)22(3,4)21(27)30-23/h1,6-11,14H,12-13H2,2-4H3,(H2,27,30)/b18-9-/t14-,23-/m0/s1 GQABEEYCEOAKHE-QJQVHLTKSA-N 501276 US11021493, Example 195 Beta-secretase 1 Homo sapiens 11.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125122 459086617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043931 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1)C#C InChI=1S/C23H23F3N4O3S/c1-5-14(2)33-20-11-28-19(10-29-20)18(26)9-15-6-7-17(25)16(8-15)23(12-24)13-34(31,32)22(3,4)21(27)30-23/h1,6-11,14H,12-13H2,2-4H3,(H2,27,30)/b18-9-/t14-,23-/m0/s1 GQABEEYCEOAKHE-QJQVHLTKSA-N 501276 US11021493, Example 195 Beta-secretase 1 Homo sapiens 188 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501276&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125122 459086617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043934 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc3OCCOc3c2)ccc1F InChI=1S/C21H21F2N3O4S/c1-21(12-31(27,28)26(2)20(24)25-21)15-9-13(3-5-16(15)22)10-17(23)14-4-6-18-19(11-14)30-8-7-29-18/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,25)/b17-10-/t21-/m0/s1 MTRWBNJJZRXCMU-OIOSCTRGSA-N 501277 US11021493, Example 196 Beta-secretase 1 Homo sapiens 583 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125722 459086618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043935 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc3OCCOc3c2)ccc1F InChI=1S/C21H21F2N3O4S/c1-21(12-31(27,28)26(2)20(24)25-21)15-9-13(3-5-16(15)22)10-17(23)14-4-6-18-19(11-14)30-8-7-29-18/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,25)/b17-10-/t21-/m0/s1 MTRWBNJJZRXCMU-OIOSCTRGSA-N 501277 US11021493, Example 196 Beta-secretase 1 Homo sapiens 1082 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501277&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125722 459086618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043938 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C20H19F2N5O2S/c1-19(2)18(24)27-20(3,11-30(19,28)29)14-6-13(10-26-17(14)22)7-15(21)16-5-4-12(8-23)9-25-16/h4-7,9-10H,11H2,1-3H3,(H2,24,27)/b15-7-/t20-/m0/s1 ATPOVJHUZIGURY-BRAWNXGXSA-N 501278 US11021493, Example 197 Beta-secretase 1 Homo sapiens 33.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126315 459086619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043939 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F InChI=1S/C20H19F2N5O2S/c1-19(2)18(24)27-20(3,11-30(19,28)29)14-6-13(10-26-17(14)22)7-15(21)16-5-4-12(8-23)9-25-16/h4-7,9-10H,11H2,1-3H3,(H2,24,27)/b15-7-/t20-/m0/s1 ATPOVJHUZIGURY-BRAWNXGXSA-N 501278 US11021493, Example 197 Beta-secretase 1 Homo sapiens 52.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501278&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126315 459086619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043942 CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC InChI=1S/C25H28F2N4O3S/c1-6-8-17(7-2)34-22-14-29-21(13-30-22)20(27)12-16-9-10-19(26)18(11-16)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,17H,7,15H2,1-5H3,(H2,28,31)/b20-12-/t17-,25-/m0/s1 MLEKTTLBVUPCRL-FPXLDRQJSA-N 501279 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-hex-4-yn-3-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 198 Beta-secretase 1 Homo sapiens 113 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125155 459086620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043943 CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC InChI=1S/C25H28F2N4O3S/c1-6-8-17(7-2)34-22-14-29-21(13-30-22)20(27)12-16-9-10-19(26)18(11-16)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,17H,7,15H2,1-5H3,(H2,28,31)/b20-12-/t17-,25-/m0/s1 MLEKTTLBVUPCRL-FPXLDRQJSA-N 501279 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-hex-4-yn-3-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 198 Beta-secretase 1 Homo sapiens 173 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501279&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125155 459086620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043946 CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC InChI=1S/C25H28F2N4O3S/c1-6-8-17(7-2)34-22-14-29-21(13-30-22)20(27)12-16-9-10-19(26)18(11-16)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,17H,7,15H2,1-5H3,(H2,28,31)/b20-12-/t17-,25+/m1/s1 MLEKTTLBVUPCRL-YZTODZFBSA-N 501280 US11021493, Example 199 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125006 459086621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043947 CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC InChI=1S/C25H28F2N4O3S/c1-6-8-17(7-2)34-22-14-29-21(13-30-22)20(27)12-16-9-10-19(26)18(11-16)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,17H,7,15H2,1-5H3,(H2,28,31)/b20-12-/t17-,25+/m1/s1 MLEKTTLBVUPCRL-YZTODZFBSA-N 501280 US11021493, Example 199 Beta-secretase 1 Homo sapiens 2.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501280&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125006 459086621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043950 CC1(C)C(N)=N[C@@](C)([C@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H21F3N4O3S/c1-5-8-32-18-12-27-17(11-28-18)16(24)10-13-6-7-15(23)14(9-13)22(4)19(25)33(30,31)21(2,3)20(26)29-22/h1,6-7,9-12,19H,8H2,2-4H3,(H2,26,29)/b16-10-/t19-,22-/m1/s1 YAFQXDBLHCFXJR-YYCVMSQUSA-N 501281 US11021493, Example 200 Beta-secretase 1 Homo sapiens 18.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125650 459086622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043951 CC1(C)C(N)=N[C@@](C)([C@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H21F3N4O3S/c1-5-8-32-18-12-27-17(11-28-18)16(24)10-13-6-7-15(23)14(9-13)22(4)19(25)33(30,31)21(2,3)20(26)29-22/h1,6-7,9-12,19H,8H2,2-4H3,(H2,26,29)/b16-10-/t19-,22-/m1/s1 YAFQXDBLHCFXJR-YYCVMSQUSA-N 501281 US11021493, Example 200 Beta-secretase 1 Homo sapiens 206 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501281&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125650 459086622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043954 CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H21F3N4O3S/c1-5-8-32-18-12-27-17(11-28-18)16(24)10-13-6-7-15(23)14(9-13)22(4)19(25)33(30,31)21(2,3)20(26)29-22/h1,6-7,9-12,19H,8H2,2-4H3,(H2,26,29)/b16-10-/t19-,22+/m0/s1 YAFQXDBLHCFXJR-RFVWLHOTSA-N 501282 US11021493, Example 201 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125153 459086623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043955 CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H21F3N4O3S/c1-5-8-32-18-12-27-17(11-28-18)16(24)10-13-6-7-15(23)14(9-13)22(4)19(25)33(30,31)21(2,3)20(26)29-22/h1,6-7,9-12,19H,8H2,2-4H3,(H2,26,29)/b16-10-/t19-,22+/m0/s1 YAFQXDBLHCFXJR-RFVWLHOTSA-N 501282 US11021493, Example 201 Beta-secretase 1 Homo sapiens 214 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501282&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125153 459086623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043958 CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C(F)(F)S1(=O)=O InChI=1S/C22H20F4N4O3S/c1-5-8-33-18-12-28-17(11-29-18)16(24)10-13-6-7-15(23)14(9-13)21(4)22(25,26)34(31,32)20(2,3)19(27)30-21/h1,6-7,9-12H,8H2,2-4H3,(H2,27,30)/b16-10-/t21-/m1/s1 NYZZLTLFKINVOG-KGGGBHMPSA-N 501283 US11021493, Example 202 Beta-secretase 1 Homo sapiens 166 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125151 459086624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043959 CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C(F)(F)S1(=O)=O InChI=1S/C22H20F4N4O3S/c1-5-8-33-18-12-28-17(11-29-18)16(24)10-13-6-7-15(23)14(9-13)21(4)22(25,26)34(31,32)20(2,3)19(27)30-21/h1,6-7,9-12H,8H2,2-4H3,(H2,27,30)/b16-10-/t21-/m1/s1 NYZZLTLFKINVOG-KGGGBHMPSA-N 501283 US11021493, Example 202 Beta-secretase 1 Homo sapiens 9570 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501283&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125151 459086624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043962 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cnc1F InChI=1S/C18H18ClF2N5O2S/c1-17(2)16(22)26-18(3,9-29(17,27)28)11-4-10(6-25-15(11)21)5-12(20)13-7-24-14(19)8-23-13/h4-8H,9H2,1-3H3,(H2,22,26)/b12-5-/t18-/m0/s1 OUOPNPINCNXCMK-KYDJUPTOSA-N 501284 US11021493, Example 203 Beta-secretase 1 Homo sapiens 125 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125646 459086625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043963 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cnc1F InChI=1S/C18H18ClF2N5O2S/c1-17(2)16(22)26-18(3,9-29(17,27)28)11-4-10(6-25-15(11)21)5-12(20)13-7-24-14(19)8-23-13/h4-8H,9H2,1-3H3,(H2,22,26)/b12-5-/t18-/m0/s1 OUOPNPINCNXCMK-KYDJUPTOSA-N 501284 US11021493, Example 203 Beta-secretase 1 Homo sapiens 196 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501284&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125646 459086625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043966 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C22H21F3N4O3S/c1-5-6-32-18-11-27-17(10-28-18)15(23)8-13-7-14(19(25)16(24)9-13)22(4)12-33(30,31)21(2,3)20(26)29-22/h1,7-11H,6,12H2,2-4H3,(H2,26,29)/b15-8-/t22-/m0/s1 XONQBONHVGVWMR-YDBYVANFSA-N 501285 US11021493, Example 204 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125701 459086626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043967 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C22H21F3N4O3S/c1-5-6-32-18-11-27-17(10-28-18)15(23)8-13-7-14(19(25)16(24)9-13)22(4)12-33(30,31)21(2,3)20(26)29-22/h1,7-11H,6,12H2,2-4H3,(H2,26,29)/b15-8-/t22-/m0/s1 XONQBONHVGVWMR-YDBYVANFSA-N 501285 US11021493, Example 204 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501285&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125701 459086626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043970 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C21H21F2N5O3S/c1-5-6-31-17-11-25-16(10-26-17)15(22)8-13-7-14(18(23)27-9-13)21(4)12-32(29,30)20(2,3)19(24)28-21/h1,7-11H,6,12H2,2-4H3,(H2,24,28)/b15-8-/t21-/m0/s1 NYVDAVLLNYHSII-JHHPEZKVSA-N 501286 US11021493, Example 205 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126446 459086627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043971 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F InChI=1S/C21H21F2N5O3S/c1-5-6-31-17-11-25-16(10-26-17)15(22)8-13-7-14(18(23)27-9-13)21(4)12-32(29,30)20(2,3)19(24)28-21/h1,7-11H,6,12H2,2-4H3,(H2,24,28)/b15-8-/t21-/m0/s1 NYVDAVLLNYHSII-JHHPEZKVSA-N 501286 US11021493, Example 205 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501286&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126446 459086627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043974 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1 WUKZYTGLWVNUQN-UOQNSFNTSA-N 501221 US11021493, Example 140::US11021493, Example 206 Beta-secretase 1 Homo sapiens 69.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125448 459086573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043975 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F InChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1 WUKZYTGLWVNUQN-UOQNSFNTSA-N 501221 US11021493, Example 140::US11021493, Example 206 Beta-secretase 1 Homo sapiens 188 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125448 459086573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043978 CC#C[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C24H26F2N4O3S/c1-6-7-15(2)33-21-13-28-20(12-29-21)19(26)11-16-8-9-18(25)17(10-16)24(5)14-34(31,32)23(3,4)22(27)30-24/h8-13,15H,14H2,1-5H3,(H2,27,30)/b19-11-/t15-,24-/m0/s1 UULZRQYJOWPKGT-OJNDDCHJSA-N 501288 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-pent-3-yn-2-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 207 Beta-secretase 1 Homo sapiens 507 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125860 459086628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043979 CC#C[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C24H26F2N4O3S/c1-6-7-15(2)33-21-13-28-20(12-29-21)19(26)11-16-8-9-18(25)17(10-16)24(5)14-34(31,32)23(3,4)22(27)30-24/h8-13,15H,14H2,1-5H3,(H2,27,30)/b19-11-/t15-,24-/m0/s1 UULZRQYJOWPKGT-OJNDDCHJSA-N 501288 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-pent-3-yn-2-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 207 Beta-secretase 1 Homo sapiens 2530 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501288&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125860 459086628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043982 CC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C24H26F2N4O3S/c1-6-7-15(2)33-21-13-28-20(12-29-21)19(26)11-16-8-9-18(25)17(10-16)24(5)14-34(31,32)23(3,4)22(27)30-24/h8-13,15H,14H2,1-5H3,(H2,27,30)/b19-11-/t15-,24+/m1/s1 UULZRQYJOWPKGT-MHZFSLMJSA-N 501289 US11021493, Example 208 Beta-secretase 1 Homo sapiens 1.000 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125789 459086629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043983 CC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C24H26F2N4O3S/c1-6-7-15(2)33-21-13-28-20(12-29-21)19(26)11-16-8-9-18(25)17(10-16)24(5)14-34(31,32)23(3,4)22(27)30-24/h8-13,15H,14H2,1-5H3,(H2,27,30)/b19-11-/t15-,24+/m1/s1 UULZRQYJOWPKGT-MHZFSLMJSA-N 501289 US11021493, Example 208 Beta-secretase 1 Homo sapiens 5.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501289&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125789 459086629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043986 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ccccc3)cn2)cnc1F InChI=1S/C25H25F2N5O3S/c1-24(2)23(28)32-25(3,15-36(24,33)34)18-9-17(11-31-22(18)27)10-19(26)20-12-30-21(13-29-20)35-14-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H2,28,32)/b19-10-/t25-/m0/s1 CXICJNDGGFNJCW-HGDKGACMSA-N 501290 US11021493, Example 209 Beta-secretase 1 Homo sapiens 124 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125635 459086630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043987 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ccccc3)cn2)cnc1F InChI=1S/C25H25F2N5O3S/c1-24(2)23(28)32-25(3,15-36(24,33)34)18-9-17(11-31-22(18)27)10-19(26)20-12-30-21(13-29-20)35-14-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H2,28,32)/b19-10-/t25-/m0/s1 CXICJNDGGFNJCW-HGDKGACMSA-N 501290 US11021493, Example 209 Beta-secretase 1 Homo sapiens 2525 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125635 459086630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043990 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ccncc3)cn2)ccc1F InChI=1S/C25H25F2N5O3S/c1-24(2)23(28)32-25(3,15-36(24,33)34)18-10-17(4-5-19(18)26)11-20(27)21-12-31-22(13-30-21)35-14-16-6-8-29-9-7-16/h4-13H,14-15H2,1-3H3,(H2,28,32)/b20-11-/t25-/m0/s1 WSDOPEDHECVJSF-FLYZOPQXSA-N 501291 US11021493, Example 210 Beta-secretase 1 Homo sapiens 1720 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125931 459086631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043991 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ccncc3)cn2)ccc1F InChI=1S/C25H25F2N5O3S/c1-24(2)23(28)32-25(3,15-36(24,33)34)18-10-17(4-5-19(18)26)11-20(27)21-12-31-22(13-30-21)35-14-16-6-8-29-9-7-16/h4-13H,14-15H2,1-3H3,(H2,28,32)/b20-11-/t25-/m0/s1 WSDOPEDHECVJSF-FLYZOPQXSA-N 501291 US11021493, Example 210 Beta-secretase 1 Homo sapiens 2230 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501291&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125931 459086631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043994 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Oc3ccccc3)cn2)ccc1F InChI=1S/C25H24F2N4O3S/c1-24(2)23(28)31-25(3,15-35(24,32)33)18-11-16(9-10-19(18)26)12-20(27)21-13-30-22(14-29-21)34-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H2,28,31)/b20-12-/t25-/m0/s1 OHCQZOYURJKSAS-NIAMQAJOSA-N 501292 US11021493, Example 211 Beta-secretase 1 Homo sapiens 349 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125711 459086632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043995 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Oc3ccccc3)cn2)ccc1F InChI=1S/C25H24F2N4O3S/c1-24(2)23(28)31-25(3,15-35(24,32)33)18-11-16(9-10-19(18)26)12-20(27)21-13-30-22(14-29-21)34-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H2,28,31)/b20-12-/t25-/m0/s1 OHCQZOYURJKSAS-NIAMQAJOSA-N 501292 US11021493, Example 211 Beta-secretase 1 Homo sapiens 1825 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125711 459086632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043998 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cc2)C#N)ccc1F InChI=1S/C20H18F2N4O2S/c1-20(12-29(27,28)26(2)19(24)25-20)16-9-14(5-8-17(16)21)10-18(22)15-6-3-13(11-23)4-7-15/h3-10H,12H2,1-2H3,(H2,24,25)/b18-10-/t20-/m0/s1 HPWHBXBGZYSHGZ-JYWRCUDFSA-N 501293 US11021493, Example 212 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125014 459086633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1043999 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cc2)C#N)ccc1F InChI=1S/C20H18F2N4O2S/c1-20(12-29(27,28)26(2)19(24)25-20)16-9-14(5-8-17(16)21)10-18(22)15-6-3-13(11-23)4-7-15/h3-10H,12H2,1-2H3,(H2,24,25)/b18-10-/t20-/m0/s1 HPWHBXBGZYSHGZ-JYWRCUDFSA-N 501293 US11021493, Example 212 Beta-secretase 1 Homo sapiens 36.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125014 459086633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044002 CC1(C)C(N)=N[C@@](C)([C@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C22H22F3N3O4S/c1-21(2)20(26)28-22(3,19(25)33(21,29)30)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-27-16)32-7-6-31-17/h4-5,8-11,19H,6-7H2,1-3H3,(H2,26,28)/b15-9-/t19-,22-/m1/s1 DNKLRRSVLUYVBB-CSXVTCHCSA-N 501294 US11021493, Example 213 Beta-secretase 1 Homo sapiens 626 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125147 459086634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044003 CC1(C)C(N)=N[C@@](C)([C@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C22H22F3N3O4S/c1-21(2)20(26)28-22(3,19(25)33(21,29)30)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-27-16)32-7-6-31-17/h4-5,8-11,19H,6-7H2,1-3H3,(H2,26,28)/b15-9-/t19-,22-/m1/s1 DNKLRRSVLUYVBB-CSXVTCHCSA-N 501294 US11021493, Example 213 Beta-secretase 1 Homo sapiens 3585 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501294&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125147 459086634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044006 CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C22H22F3N3O4S/c1-21(2)20(26)28-22(3,19(25)33(21,29)30)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-27-16)32-7-6-31-17/h4-5,8-11,19H,6-7H2,1-3H3,(H2,26,28)/b15-9-/t19-,22+/m0/s1 DNKLRRSVLUYVBB-ZPEIHTIZSA-N 501295 US11021493, Example 214 Beta-secretase 1 Homo sapiens 225 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126327 459086635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044007 CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F InChI=1S/C22H22F3N3O4S/c1-21(2)20(26)28-22(3,19(25)33(21,29)30)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-27-16)32-7-6-31-17/h4-5,8-11,19H,6-7H2,1-3H3,(H2,26,28)/b15-9-/t19-,22+/m0/s1 DNKLRRSVLUYVBB-ZPEIHTIZSA-N 501295 US11021493, Example 214 Beta-secretase 1 Homo sapiens 5940 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501295&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126327 459086635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044010 CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cc4OCCOc4cn3)ccc2F)C(F)(F)S1(=O)=O InChI=1S/C22H21F4N3O4S/c1-20(2)19(27)29-21(3,22(25,26)34(20,30)31)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-28-16)33-7-6-32-17/h4-5,8-11H,6-7H2,1-3H3,(H2,27,29)/b15-9-/t21-/m1/s1 ISINGNQBVRWZCL-WHIQYKQFSA-N 501296 US11021493, Example 215 Beta-secretase 1 Homo sapiens 3135 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125166 459086636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044011 CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cc4OCCOc4cn3)ccc2F)C(F)(F)S1(=O)=O InChI=1S/C22H21F4N3O4S/c1-20(2)19(27)29-21(3,22(25,26)34(20,30)31)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-28-16)33-7-6-32-17/h4-5,8-11H,6-7H2,1-3H3,(H2,27,29)/b15-9-/t21-/m1/s1 ISINGNQBVRWZCL-WHIQYKQFSA-N 501296 US11021493, Example 215 Beta-secretase 1 Homo sapiens 28650 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501296&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125166 459086636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044014 CCC#C[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C25H28F2N4O3S/c1-6-7-8-16(2)34-22-14-29-21(13-30-22)20(27)12-17-9-10-19(26)18(11-17)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,16H,6,15H2,1-5H3,(H2,28,31)/b20-12-/t16-,25-/m0/s1 YUUVAARKFYRVHP-JCSCNGDCSA-N 501297 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-hex-3-yn-2-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 216 Beta-secretase 1 Homo sapiens 628 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126288 459086637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044015 CCC#C[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C25H28F2N4O3S/c1-6-7-8-16(2)34-22-14-29-21(13-30-22)20(27)12-17-9-10-19(26)18(11-17)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,16H,6,15H2,1-5H3,(H2,28,31)/b20-12-/t16-,25-/m0/s1 YUUVAARKFYRVHP-JCSCNGDCSA-N 501297 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-((R)-hex-3-yn-2-yloxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 216 Beta-secretase 1 Homo sapiens 5365 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501297&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126288 459086637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044018 CCC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C25H28F2N4O3S/c1-6-7-8-16(2)34-22-14-29-21(13-30-22)20(27)12-17-9-10-19(26)18(11-17)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,16H,6,15H2,1-5H3,(H2,28,31)/b20-12-/t16-,25+/m1/s1 YUUVAARKFYRVHP-UESFXIRASA-N 501298 US11021493, Example 217 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126022 459086638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044019 CCC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C25H28F2N4O3S/c1-6-7-8-16(2)34-22-14-29-21(13-30-22)20(27)12-17-9-10-19(26)18(11-17)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,16H,6,15H2,1-5H3,(H2,28,31)/b20-12-/t16-,25+/m1/s1 YUUVAARKFYRVHP-UESFXIRASA-N 501298 US11021493, Example 217 Beta-secretase 1 Homo sapiens 288 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501298&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126022 459086638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044022 C[C@H](O)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H26F2N4O4S/c1-13(29)11-32-19-10-26-18(9-27-19)17(24)8-14-5-6-16(23)15(7-14)22(4)12-33(30,31)21(2,3)20(25)28-22/h5-10,13,29H,11-12H2,1-4H3,(H2,25,28)/b17-8-/t13-,22-/m0/s1 GPVVLPXMVYOABD-VEPZOGOTSA-N 501299 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-(((S)-1-hydroxypropan-2-yl)oxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 218 Beta-secretase 1 Homo sapiens 180 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125730 459086639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044023 C[C@H](O)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H26F2N4O4S/c1-13(29)11-32-19-10-26-18(9-27-19)17(24)8-14-5-6-16(23)15(7-14)22(4)12-33(30,31)21(2,3)20(25)28-22/h5-10,13,29H,11-12H2,1-4H3,(H2,25,28)/b17-8-/t13-,22-/m0/s1 GPVVLPXMVYOABD-VEPZOGOTSA-N 501299 (R)-5-amino-3-(2-fluoro-5-((Z)-2-fluoro-2-(5-(((S)-1-hydroxypropan-2-yl)oxy)pyrazin-2-yl)vinyl)phenyl)-3,6,6-trimethyl-3,6-dihydro-2H-1,4-thiazine 1,1-dioxide; and::US11021493, Example 218 Beta-secretase 1 Homo sapiens 529 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501299&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125730 459086639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044026 C[C@@H](O)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H26F2N4O4S/c1-13(29)11-32-19-10-26-18(9-27-19)17(24)8-14-5-6-16(23)15(7-14)22(4)12-33(30,31)21(2,3)20(25)28-22/h5-10,13,29H,11-12H2,1-4H3,(H2,25,28)/b17-8-/t13-,22+/m1/s1 GPVVLPXMVYOABD-WHKCTIBLSA-N 501300 US11021493, Example 219 Beta-secretase 1 Homo sapiens 136 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370048 459086640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044027 C[C@@H](O)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C22H26F2N4O4S/c1-13(29)11-32-19-10-26-18(9-27-19)17(24)8-14-5-6-16(23)15(7-14)22(4)12-33(30,31)21(2,3)20(25)28-22/h5-10,13,29H,11-12H2,1-4H3,(H2,25,28)/b17-8-/t13-,22+/m1/s1 GPVVLPXMVYOABD-WHKCTIBLSA-N 501300 US11021493, Example 219 Beta-secretase 1 Homo sapiens 142 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501300&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370048 459086640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044030 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cscn3)cn2)cc(F)c1F InChI=1S/C21H19F3N6O3S2/c1-21(10-35(31,32)30(2)20(25)29-21)14-3-12(5-16(23)19(14)24)4-15(22)17-6-27-18(7-26-17)33-8-13-9-34-11-28-13/h3-7,9,11H,8,10H2,1-2H3,(H2,25,29)/b15-4-/t21-/m0/s1 LITNCVQHGBECBC-QWPNKFHKSA-N 501301 US11021493, Example 220 Beta-secretase 1 Homo sapiens 14.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125768 459086641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044031 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cscn3)cn2)cc(F)c1F InChI=1S/C21H19F3N6O3S2/c1-21(10-35(31,32)30(2)20(25)29-21)14-3-12(5-16(23)19(14)24)4-15(22)17-6-27-18(7-26-17)33-8-13-9-34-11-28-13/h3-7,9,11H,8,10H2,1-2H3,(H2,25,29)/b15-4-/t21-/m0/s1 LITNCVQHGBECBC-QWPNKFHKSA-N 501301 US11021493, Example 220 Beta-secretase 1 Homo sapiens 47.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125768 459086641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044034 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O4S/c1-12-4-14(35-30-12)10-34-19-9-27-18(8-28-19)16(23)6-13-5-15(20(25)17(24)7-13)22(2)11-36(32,33)31(3)21(26)29-22/h4-9H,10-11H2,1-3H3,(H2,26,29)/b16-6-/t22-/m0/s1 CIFAGKWFXOQVJD-HLSNCYEYSA-N 501302 US11021493, Example 221 Beta-secretase 1 Homo sapiens 38.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126150 459086642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044035 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O4S/c1-12-4-14(35-30-12)10-34-19-9-27-18(8-28-19)16(23)6-13-5-15(20(25)17(24)7-13)22(2)11-36(32,33)31(3)21(26)29-22/h4-9H,10-11H2,1-3H3,(H2,26,29)/b16-6-/t22-/m0/s1 CIFAGKWFXOQVJD-HLSNCYEYSA-N 501302 US11021493, Example 221 Beta-secretase 1 Homo sapiens 215 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501302&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126150 459086642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044038 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(=O)c(Cl)c[nH]2)ccc1F 501303 US11021493, Example 222 Beta-secretase 1 Homo sapiens 1565 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370049 459086643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044039 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(=O)c(Cl)c[nH]2)ccc1F 501303 US11021493, Example 222 Beta-secretase 1 Homo sapiens 3110 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501303&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162370049 459086643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044042 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cc(C)on3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O4S/c1-12-4-14(30-35-12)10-34-19-9-27-18(8-28-19)16(23)6-13-5-15(20(25)17(24)7-13)22(2)11-36(32,33)31(3)21(26)29-22/h4-9H,10-11H2,1-3H3,(H2,26,29)/b16-6-/t22-/m0/s1 BADIUOXXUYVOKP-HLSNCYEYSA-N 501304 US11021493, Example 223 Beta-secretase 1 Homo sapiens 61.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126402 459086644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044043 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cc(C)on3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O4S/c1-12-4-14(30-35-12)10-34-19-9-27-18(8-28-19)16(23)6-13-5-15(20(25)17(24)7-13)22(2)11-36(32,33)31(3)21(26)29-22/h4-9H,10-11H2,1-3H3,(H2,26,29)/b16-6-/t22-/m0/s1 BADIUOXXUYVOKP-HLSNCYEYSA-N 501304 US11021493, Example 223 Beta-secretase 1 Homo sapiens 196 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501304&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126402 459086644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044046 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)no3)cn2)cc(F)c1F InChI=1S/C21H20F3N7O4S/c1-11-28-18(35-30-11)9-34-17-8-26-16(7-27-17)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)29-21/h4-8H,9-10H2,1-3H3,(H2,25,29)/b14-5-/t21-/m0/s1 LFNSBYRUOAXDLQ-NZARZLALSA-N 501305 US11021493, Example 224 Beta-secretase 1 Homo sapiens 40.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126349 459086645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044047 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)no3)cn2)cc(F)c1F InChI=1S/C21H20F3N7O4S/c1-11-28-18(35-30-11)9-34-17-8-26-16(7-27-17)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)29-21/h4-8H,9-10H2,1-3H3,(H2,25,29)/b14-5-/t21-/m0/s1 LFNSBYRUOAXDLQ-NZARZLALSA-N 501305 US11021493, Example 224 Beta-secretase 1 Homo sapiens 42.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501305&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126349 459086645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044050 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cocn3)cn2)cc(F)c1F InChI=1S/C21H19F3N6O4S/c1-21(10-35(31,32)30(2)20(25)29-21)14-3-12(5-16(23)19(14)24)4-15(22)17-6-27-18(7-26-17)34-9-13-8-33-11-28-13/h3-8,11H,9-10H2,1-2H3,(H2,25,29)/b15-4-/t21-/m0/s1 KCXVXXPLOOYYTO-QWPNKFHKSA-N 501306 US11021493, Example 225 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125741 459086646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044051 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cocn3)cn2)cc(F)c1F InChI=1S/C21H19F3N6O4S/c1-21(10-35(31,32)30(2)20(25)29-21)14-3-12(5-16(23)19(14)24)4-15(22)17-6-27-18(7-26-17)34-9-13-8-33-11-28-13/h3-8,11H,9-10H2,1-2H3,(H2,25,29)/b15-4-/t21-/m0/s1 KCXVXXPLOOYYTO-QWPNKFHKSA-N 501306 US11021493, Example 225 Beta-secretase 1 Homo sapiens 9.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501306&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125741 459086646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044054 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-14(13)20)6-16(22)17-7-15(21)12(8-23)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1 HONUCVPMRNACEL-ICRRLBEQSA-N 501307 US11021493, Example 226 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125782 459086647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044055 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(cn2)C#N)ccc1F InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-14(13)20)6-16(22)17-7-15(21)12(8-23)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1 HONUCVPMRNACEL-ICRRLBEQSA-N 501307 US11021493, Example 226 Beta-secretase 1 Homo sapiens 341 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501307&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125782 459086647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044058 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC=C)cn2)cc(F)c1F InChI=1S/C20H20F3N5O3S/c1-4-5-31-17-10-25-16(9-26-17)14(21)7-12-6-13(18(23)15(22)8-12)20(2)11-32(29,30)28(3)19(24)27-20/h4,6-10H,1,5,11H2,2-3H3,(H2,24,27)/b14-7-/t20-/m0/s1 JBJZYNUUWPWYLZ-HGEVBOJVSA-N 501308 US11021493, Example 227 Beta-secretase 1 Homo sapiens 46.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126146 459086648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044059 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC=C)cn2)cc(F)c1F InChI=1S/C20H20F3N5O3S/c1-4-5-31-17-10-25-16(9-26-17)14(21)7-12-6-13(18(23)15(22)8-12)20(2)11-32(29,30)28(3)19(24)27-20/h4,6-10H,1,5,11H2,2-3H3,(H2,24,27)/b14-7-/t20-/m0/s1 JBJZYNUUWPWYLZ-HGEVBOJVSA-N 501308 US11021493, Example 227 Beta-secretase 1 Homo sapiens 427 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501308&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126146 459086648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044062 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncccn3)cn2)cc(F)c1F InChI=1S/C22H20F3N7O3S/c1-22(12-36(33,34)32(2)21(26)31-22)14-6-13(8-16(24)20(14)25)7-15(23)17-9-30-19(10-29-17)35-11-18-27-4-3-5-28-18/h3-10H,11-12H2,1-2H3,(H2,26,31)/b15-7-/t22-/m0/s1 FFDDVJXLKUZNQX-AELLWPAVSA-N 501309 US11021493, Example 228 Beta-secretase 1 Homo sapiens 28.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125801 459086649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044063 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncccn3)cn2)cc(F)c1F InChI=1S/C22H20F3N7O3S/c1-22(12-36(33,34)32(2)21(26)31-22)14-6-13(8-16(24)20(14)25)7-15(23)17-9-30-19(10-29-17)35-11-18-27-4-3-5-28-18/h3-10H,11-12H2,1-2H3,(H2,26,31)/b15-7-/t22-/m0/s1 FFDDVJXLKUZNQX-AELLWPAVSA-N 501309 US11021493, Example 228 Beta-secretase 1 Homo sapiens 25.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501309&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125801 459086649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044066 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3noc(C)n3)cn2)cc(F)c1F InChI=1S/C21H20F3N7O4S/c1-11-28-17(30-35-11)9-34-18-8-26-16(7-27-18)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)29-21/h4-8H,9-10H2,1-3H3,(H2,25,29)/b14-5-/t21-/m0/s1 DVTPPFUEKLSQNQ-NZARZLALSA-N 501310 US11021493, Example 229 Beta-secretase 1 Homo sapiens 8.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125941 459086650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044067 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3noc(C)n3)cn2)cc(F)c1F InChI=1S/C21H20F3N7O4S/c1-11-28-17(30-35-11)9-34-18-8-26-16(7-27-18)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)29-21/h4-8H,9-10H2,1-3H3,(H2,25,29)/b14-5-/t21-/m0/s1 DVTPPFUEKLSQNQ-NZARZLALSA-N 501310 US11021493, Example 229 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501310&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125941 459086650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044070 COc1cc(ncc1Cl)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C19H19ClF2N4O3S/c1-19(10-30(27,28)26(2)18(23)25-19)12-6-11(4-5-14(12)21)7-15(22)16-8-17(29-3)13(20)9-24-16/h4-9H,10H2,1-3H3,(H2,23,25)/b15-7-/t19-/m0/s1 BKIFKSWYFQGVPM-GDMVIRIFSA-N 501311 US11021493, Example 230 Beta-secretase 1 Homo sapiens 179 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126465 459086651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044071 COc1cc(ncc1Cl)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C19H19ClF2N4O3S/c1-19(10-30(27,28)26(2)18(23)25-19)12-6-11(4-5-14(12)21)7-15(22)16-8-17(29-3)13(20)9-24-16/h4-9H,10H2,1-3H3,(H2,23,25)/b15-7-/t19-/m0/s1 BKIFKSWYFQGVPM-GDMVIRIFSA-N 501311 US11021493, Example 230 Beta-secretase 1 Homo sapiens 656 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501311&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126465 459086651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044074 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(C#N)c(Cl)cn2)ccc1F InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)6-16(22)17-7-12(8-23)14(20)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1 ZYYATMZPSJFYHR-ICRRLBEQSA-N 501312 US11021493, Example 231 Beta-secretase 1 Homo sapiens 84.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125685 459086652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044075 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(C#N)c(Cl)cn2)ccc1F InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)6-16(22)17-7-12(8-23)14(20)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1 ZYYATMZPSJFYHR-ICRRLBEQSA-N 501312 US11021493, Example 231 Beta-secretase 1 Homo sapiens 97.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501312&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125685 459086652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044078 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)11-5-10(3-4-13(11)20)6-15(22)16-7-14(21)12(19)8-24-16/h3-8H,9H2,1-2H3,(H2,23,25)/b15-6-/t18-/m0/s1 XTTRJRCVEFDXIO-HMMSMWIJSA-N 501313 US11021493, Example 232 Beta-secretase 1 Homo sapiens 7.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125836 459086653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044079 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(Cl)cn2)ccc1F InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)11-5-10(3-4-13(11)20)6-15(22)16-7-14(21)12(19)8-24-16/h3-8H,9H2,1-2H3,(H2,23,25)/b15-6-/t18-/m0/s1 XTTRJRCVEFDXIO-HMMSMWIJSA-N 501313 US11021493, Example 232 Beta-secretase 1 Homo sapiens 29.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501313&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125836 459086653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044082 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)cc(F)c1F InChI=1S/C21H20F3N7O4S/c1-11-29-30-18(35-11)9-34-17-8-26-16(7-27-17)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)28-21/h4-8H,9-10H2,1-3H3,(H2,25,28)/b14-5-/t21-/m0/s1 OUYCDGNQTWUZCZ-NZARZLALSA-N 501314 US11021493, Example 233 Beta-secretase 1 Homo sapiens 60.0 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125618 459086654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044083 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)cc(F)c1F InChI=1S/C21H20F3N7O4S/c1-11-29-30-18(35-11)9-34-17-8-26-16(7-27-17)14(22)5-12-4-13(19(24)15(23)6-12)21(2)10-36(32,33)31(3)20(25)28-21/h4-8H,9-10H2,1-3H3,(H2,25,28)/b14-5-/t21-/m0/s1 OUYCDGNQTWUZCZ-NZARZLALSA-N 501314 US11021493, Example 233 Beta-secretase 1 Homo sapiens 35.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501314&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125618 459086654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044086 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc3OCCOc3n2)ccc1F InChI=1S/C19H19F2N5O4S/c1-19(10-31(27,28)26(2)18(22)25-19)12-7-11(3-4-13(12)20)8-14(21)16-23-9-15-17(24-16)30-6-5-29-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,22,25)/b14-8-/t19-/m0/s1 WWZTUSOPZPQIJC-HTJTXACHSA-N 501315 US11021493, Example 234 Beta-secretase 1 Homo sapiens 392 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125790 459086655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044087 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc3OCCOc3n2)ccc1F InChI=1S/C19H19F2N5O4S/c1-19(10-31(27,28)26(2)18(22)25-19)12-7-11(3-4-13(12)20)8-14(21)16-23-9-15-17(24-16)30-6-5-29-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,22,25)/b14-8-/t19-/m0/s1 WWZTUSOPZPQIJC-HTJTXACHSA-N 501315 US11021493, Example 234 Beta-secretase 1 Homo sapiens 99.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125790 459086655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044090 C[C@@H]1COc2nc(ncc2O1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C20H21F2N5O4S/c1-11-9-30-18-16(31-11)8-24-17(25-18)15(22)7-12-4-5-14(21)13(6-12)20(2)10-32(28,29)27(3)19(23)26-20/h4-8,11H,9-10H2,1-3H3,(H2,23,26)/b15-7-/t11-,20+/m1/s1 HQZGMGTXHGXLEA-UQQCTONMSA-N 501316 US11021493, Example 235 Beta-secretase 1 Homo sapiens 268 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125134 459086656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044091 C[C@@H]1COc2nc(ncc2O1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C20H21F2N5O4S/c1-11-9-30-18-16(31-11)8-24-17(25-18)15(22)7-12-4-5-14(21)13(6-12)20(2)10-32(28,29)27(3)19(23)26-20/h4-8,11H,9-10H2,1-3H3,(H2,23,26)/b15-7-/t11-,20+/m1/s1 HQZGMGTXHGXLEA-UQQCTONMSA-N 501316 US11021493, Example 235 Beta-secretase 1 Homo sapiens 128 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125134 459086656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044094 C[C@H]1COc2cnc(nc2O1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C20H21F2N5O4S/c1-11-9-30-16-8-24-17(25-18(16)31-11)15(22)7-12-4-5-14(21)13(6-12)20(2)10-32(28,29)27(3)19(23)26-20/h4-8,11H,9-10H2,1-3H3,(H2,23,26)/b15-7-/t11-,20-/m0/s1 UBWQZMAABAARLZ-IAYXEOLASA-N 501317 US11021493, Example 236 Beta-secretase 1 Homo sapiens 1125 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126407 459086657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044095 C[C@H]1COc2cnc(nc2O1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 InChI=1S/C20H21F2N5O4S/c1-11-9-30-16-8-24-17(25-18(16)31-11)15(22)7-12-4-5-14(21)13(6-12)20(2)10-32(28,29)27(3)19(23)26-20/h4-8,11H,9-10H2,1-3H3,(H2,23,26)/b15-7-/t11-,20-/m0/s1 UBWQZMAABAARLZ-IAYXEOLASA-N 501317 US11021493, Example 236 Beta-secretase 1 Homo sapiens 410 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126407 459086657 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044098 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)cs3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O3S2/c1-12-10-35-19(29-12)9-34-18-8-27-17(7-28-18)15(23)5-13-4-14(20(25)16(24)6-13)22(2)11-36(32,33)31(3)21(26)30-22/h4-8,10H,9,11H2,1-3H3,(H2,26,30)/b15-5-/t22-/m0/s1 NZRZQNUNKUYLQK-JARJPIKVSA-N 501318 US11021493, Example 237 Beta-secretase 1 Homo sapiens 4.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126426 459086658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044099 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)cs3)cn2)cc(F)c1F InChI=1S/C22H21F3N6O3S2/c1-12-10-35-19(29-12)9-34-18-8-27-17(7-28-18)15(23)5-13-4-14(20(25)16(24)6-13)22(2)11-36(32,33)31(3)21(26)30-22/h4-8,10H,9,11H2,1-3H3,(H2,26,30)/b15-5-/t22-/m0/s1 NZRZQNUNKUYLQK-JARJPIKVSA-N 501318 US11021493, Example 237 Beta-secretase 1 Homo sapiens 93.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126426 459086658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044102 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)oc3C)cn2)cc(F)c1F InChI=1S/C23H23F3N6O4S/c1-12-19(30-13(2)36-12)10-35-20-9-28-18(8-29-20)16(24)6-14-5-15(21(26)17(25)7-14)23(3)11-37(33,34)32(4)22(27)31-23/h5-9H,10-11H2,1-4H3,(H2,27,31)/b16-6-/t23-/m0/s1 JLBWIPUMAWJKTC-NBQIURKZSA-N 501319 US11021493, Example 238 Beta-secretase 1 Homo sapiens 6.00 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126442 459086659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044103 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)oc3C)cn2)cc(F)c1F InChI=1S/C23H23F3N6O4S/c1-12-19(30-13(2)36-12)10-35-20-9-28-18(8-29-20)16(24)6-14-5-15(21(26)17(25)7-14)23(3)11-37(33,34)32(4)22(27)31-23/h5-9H,10-11H2,1-4H3,(H2,27,31)/b16-6-/t23-/m0/s1 JLBWIPUMAWJKTC-NBQIURKZSA-N 501319 US11021493, Example 238 Beta-secretase 1 Homo sapiens 42.0 US Patent 10.7270/Q2CZ3B90 aid1805611 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126442 459086659 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1044106 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3CCCOc3cn2)ccc1F InChI=1S/C21H22F2N4O3S/c1-21(12-31(28,29)27(2)20(24)26-21)15-8-13(5-6-16(15)22)9-17(23)18-10-14-4-3-7-30-19(14)11-25-18/h5-6,8-11H,3-4,7,12H2,1-2H3,(H2,24,26)/b17-9-/t21-/m0/s1 RWGILFQBVCWEPP-YWUCYRDRSA-N 501320 US11021493, Example 239 Beta-secretase 1 Homo sapiens 530 US Patent 10.7270/Q2CZ3B90 aid1805610 US11021493 Allen, JR; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Fu, Z; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, C; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=501320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=501320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125928 459086660 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037745 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13+,16+/m0/s1 DMEDVHXVIZMNTO-OWRWGESLSA-N 448194 US10689401, EX 1::US11008338, Example 1 Beta-secretase 1 Homo sapiens 363 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406873 440710205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037748 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Br)ccc1F InChI=1S/C16H20BrFN2O3S/c1-9-6-13-16(8-23-9,11-7-10(17)4-5-12(11)18)20-14(19)15(2,3)24(13,21)22/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,20)/t9-,13+,16+/m0/s1 PWHVSROCXLHTFE-LQBHMHGISA-N 448196 US10689401, EX 3::US11008338, Example 3 Beta-secretase 1 Homo sapiens 1207 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406872 440710207 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037750 CC(C)COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C20H29FN2O4S/c1-12(2)10-26-14-6-7-16(21)15(9-14)20-11-27-13(3)8-17(20)28(24,25)19(4,5)18(22)23-20/h6-7,9,12-13,17H,8,10-11H2,1-5H3,(H2,22,23)/t13-,17+,20+/m0/s1 QUQKAGGARNDCIR-WSXQUGQNSA-N 448197 US10689401, EX 4::US11008338, Example 4 Beta-secretase 1 Homo sapiens 354 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406939 440710208 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037752 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C21H23F2N3O4S/c1-12-9-17-21(11-29-12,26-19(24)20(2,3)31(17,27)28)14-10-13(6-7-15(14)22)30-18-16(23)5-4-8-25-18/h4-8,10,12,17H,9,11H2,1-3H3,(H2,24,26)/t12-,17+,21+/m0/s1 NUTYXXXZWVAGHN-LKNMKHRSSA-N 448199 US10689401, EX 5::US11008338, Example 5 Beta-secretase 1 Homo sapiens 17.5 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448199&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406870 440710210 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037754 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)[N+]#[C-])ccc1F InChI=1S/C22H23FN4O4S/c1-13-9-18-22(12-30-13,27-20(24)21(2,3)32(18,28)29)16-11-15(5-6-17(16)23)31-19-10-14(25-4)7-8-26-19/h5-8,10-11,13,18H,9,12H2,1-3H3,(H2,24,27)/t13-,18+,22+/m0/s1 XPUYDROMFZLYPA-PFDOBSCMSA-N 498090 US11008338, Example 6 Beta-secretase 1 Homo sapiens 23.6 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498090&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145767562 459071050 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037756 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C21H22F3N3O4S/c1-11-6-17-21(10-30-11,27-19(25)20(2,3)32(17,28)29)14-8-13(4-5-15(14)23)31-18-16(24)7-12(22)9-26-18/h4-5,7-9,11,17H,6,10H2,1-3H3,(H2,25,27)/t11-,17+,21+/m0/s1 SDKJCGRZSMGSBT-PPJNFFCYSA-N 448203 US10689401, EX 7::US11008338, Example 7 Beta-secretase 1 Homo sapiens 53.6 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406927 440710214 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037758 C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17-,20-/m1/s1 SGIXEMDUXNNPQL-WYAVIUHXSA-N 448204 US10689401, EX 8::US11008338, Example 8 Beta-secretase 1 Homo sapiens 4481 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448204&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406906 440710215 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037760 C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17+,20+/m0/s1 SGIXEMDUXNNPQL-LCIZUOBNSA-N 448205 US10689401, EX 9::US11008338, Example 9 Beta-secretase 1 Homo sapiens 94.2 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406935 440710216 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037762 COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14+,17+/m0/s1 QVNIHLNCRLCQBA-NCAQKEMTSA-N 448206 US10689401, EX 10::US11008338, Example 10 Beta-secretase 1 Homo sapiens 681 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406940 440710217 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037765 COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)c1ccc(F)cc1 InChI=1S/C22H24F2N2O4S/c1-21(2)20(25)26-22(16-10-15(29-3)8-9-17(16)24)12-30-18(11-19(22)31(21,27)28)13-4-6-14(23)7-5-13/h4-10,18-19H,11-12H2,1-3H3,(H2,25,26)/t18-,19-,22-/m1/s1 QHXIKGDWSQXRCG-WOIUINJBSA-N 448208 US10689401, EX 12::US11008338, Example 12 Beta-secretase 1 Homo sapiens 184 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406933 440710219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037767 CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F InChI=1S/C25H28F2N2O4S/c1-24(2)23(28)29-25(19-11-18(9-10-20(19)27)32-13-15-3-4-15)14-33-21(12-22(25)34(24,30)31)16-5-7-17(26)8-6-16/h5-11,15,21-22H,3-4,12-14H2,1-2H3,(H2,28,29)/t21-,22-,25-/m1/s1 IUWNLGMMWSCZQJ-TZBSWOFLSA-N 448209 US10689401, EX 13::US11008338, Example 13 Beta-secretase 1 Homo sapiens 115 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419350 440710220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037769 CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1 AHJOKRHJPSGPFR-XLGIIRLISA-N 448210 US10689401, EX 14::US11008338, Example 14 Beta-secretase 1 Homo sapiens 3.90 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 130303031 440710221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037771 CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2cc(ccn2)[N+]#[C-])ccc1F InChI=1S/C27H24F2N4O4S/c1-26(2)25(30)33-27(15-36-22(14-23(27)38(26,34)35)16-4-6-17(28)7-5-16)20-13-19(8-9-21(20)29)37-24-12-18(31-3)10-11-32-24/h4-13,22-23H,14-15H2,1-2H3,(H2,30,33)/t22-,23-,27-/m1/s1 NFXGXCBTHKHWAP-AZSVPQILSA-N 498099 US11008338, Example 15 Beta-secretase 1 Homo sapiens 17.9 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498099&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145767564 459071059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037773 COc1ccc(F)c(c1)[C@]12CO[C@@H](CO)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C17H23FN2O5S/c1-16(2)15(19)20-17(12-6-10(24-3)4-5-13(12)18)9-25-11(8-21)7-14(17)26(16,22)23/h4-6,11,14,21H,7-9H2,1-3H3,(H2,19,20)/t11-,14-,17-/m1/s1 GBUJBBUXZUVCEF-JDSLSITLSA-N 448212 US10689401, EX 16::US11008338, Example 16 Beta-secretase 1 Homo sapiens 2861 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406937 440710223 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037775 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C17H23FN2O3S/c1-15(2)9-13-17(10-23-15,11-7-5-6-8-12(11)18)20-14(19)16(3,4)24(13,21)22/h5-8,13H,9-10H2,1-4H3,(H2,19,20)/t13-,17-/m1/s1 HNBPJKODDGJDLI-CXAGYDPISA-N 448214 US10689401, EX 17::US11008338, Example 17 Beta-secretase 1 Homo sapiens 300 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406905 440710225 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037777 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F InChI=1S/C22H25F2N3O4S/c1-20(2)11-17-22(12-30-20,27-19(25)21(3,4)32(17,28)29)14-10-13(7-8-15(14)23)31-18-16(24)6-5-9-26-18/h5-10,17H,11-12H2,1-4H3,(H2,25,27)/t17-,22-/m1/s1 AWNVVJFOKZAZSC-VGOFRKELSA-N 448215 US10689401, EX 18::US11008338, Example 18 Beta-secretase 1 Homo sapiens 22.4 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419196 440710226 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037779 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)[N+]#[C-])ccc1F InChI=1S/C23H25FN4O4S/c1-21(2)12-18-23(13-31-21,28-20(25)22(3,4)33(18,29)30)16-11-15(6-7-17(16)24)32-19-10-14(26-5)8-9-27-19/h6-11,18H,12-13H2,1-4H3,(H2,25,28)/t18-,23-/m1/s1 BPMVLWZVOYVTDA-WZONZLPQSA-N 498103 US11008338, Example 19 Beta-secretase 1 Homo sapiens 33.8 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498103&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145767566 459071063 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037781 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-18-16(25)7-12(23)10-27-18/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1 VNRVMHBCWPYCJV-VGOFRKELSA-N 448218 US10689401, EX 20::US11008338, Example 20 Beta-secretase 1 Homo sapiens 53.2 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448218&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419188 440710229 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037783 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-16-7-12(23)10-27-18(16)25/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1 PQHKPNMCPHYYOU-VGOFRKELSA-N 448219 US10689401, EX 21::US11008338, Example 21 Beta-secretase 1 Homo sapiens 9.70 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419186 440710230 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037785 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F InChI=1S/C21H29FN2O4S/c1-19(2)10-17-21(12-28-19,24-18(23)20(3,4)29(17,25)26)15-9-14(7-8-16(15)22)27-11-13-5-6-13/h7-9,13,17H,5-6,10-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1 WCIHGKODJJUKIZ-DYESRHJHSA-N 448220 US10689401, EX 22::US11008338, Example 22 Beta-secretase 1 Homo sapiens 120 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448220&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419187 440710231 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037787 CC(C)COc1ccc(F)c(c1)[C@]12COC(C)(C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 InChI=1S/C21H31FN2O4S/c1-13(2)11-27-14-7-8-16(22)15(9-14)21-12-28-19(3,4)10-17(21)29(25,26)20(5,6)18(23)24-21/h7-9,13,17H,10-12H2,1-6H3,(H2,23,24)/t17-,21-/m1/s1 HLHFHJHBERJEIK-DYESRHJHSA-N 448221 US10689401, EX 23::US11008338, Example 23 Beta-secretase 1 Homo sapiens 172 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419199 440710232 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037789 CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OC2CCC2)ccc1F InChI=1S/C21H29FN2O4S/c1-19(2)11-17-21(12-27-19,24-18(23)20(3,4)29(17,25)26)15-10-14(8-9-16(15)22)28-13-6-5-7-13/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1 WWOMLEHPHXLZHM-DYESRHJHSA-N 448222 US10689401, EX 24::US11008338, Example 24 Beta-secretase 1 Homo sapiens 183 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448222&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137419198 440710233 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1037791 CC(C)[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F InChI=1S/C18H25FN2O3S/c1-11(2)14-9-15-18(10-24-14,12-7-5-6-8-13(12)19)21-16(20)17(3,4)25(15,22)23/h5-8,11,14-15H,9-10H2,1-4H3,(H2,20,21)/t14-,15-,18-/m1/s1 OQFPZOUKNLLKGE-IIDMSEBBSA-N 448223 US10689401, EX 25::US11008338, Example 25 Beta-secretase 1 Homo sapiens 185 US Patent 10.7270/Q2RF5Z46 aid1805572 US11008338 Wu, W; Cumming, JN; Taoka, BM; Dai, X Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=448223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=448223&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 137406929 440710234 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51386494 COc1cc2OC(C)(CC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1 InChI=1S/C40H48ClN3O4/c1-40(20-19-29-23-37(36(46-2)25-35(29)48-40)47-27-28-13-7-6-8-14-28)26-38(45)42-21-11-4-3-5-12-22-43-39-31-15-9-10-16-33(31)44-34-24-30(41)17-18-32(34)39/h6-8,13-14,17-18,23-25H,3-5,9-12,15-16,19-22,26-27H2,1-2H3,(H,42,45)(H,43,44) JYPJKGLZUCPORL-UHFFFAOYSA-N 50560227 CHEMBL4747041 Beta-secretase 1 Homo sapiens 12500 ChEMBL 10.1021/acs.jmedchem.0c00528 10.7270/Q23N2733 32706255 Pérez-Areales, FJ; Garrido, M; Aso, E; Bartolini, M; De Simone, A; Espargaró, A; Ginex, T; Sabate, R; Pérez, B; Andrisano, V; Puigoriol-Illamola, D; Pallàs, M; Luque, FJ; Loza, MI; Brea, J; Ferrer, I; Ciruela, F; Messeguer, A; Muñoz-Torrero, D University of Barcelona (UB) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50560227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50560227&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162650347 461830619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51386495 COc1cc2OC(C)(CC(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1 InChI=1S/C41H50ClN3O4/c1-41(21-20-30-24-38(37(47-2)26-36(30)49-41)48-28-29-14-8-7-9-15-29)27-39(46)43-22-12-5-3-4-6-13-23-44-40-32-16-10-11-17-34(32)45-35-25-31(42)18-19-33(35)40/h7-9,14-15,18-19,24-26H,3-6,10-13,16-17,20-23,27-28H2,1-2H3,(H,43,46)(H,44,45) GTUYMOXZKSCJQY-UHFFFAOYSA-N 50560215 CHEMBL4747836 Beta-secretase 1 Homo sapiens 8310 ChEMBL 10.1021/acs.jmedchem.0c00528 10.7270/Q23N2733 32706255 Pérez-Areales, FJ; Garrido, M; Aso, E; Bartolini, M; De Simone, A; Espargaró, A; Ginex, T; Sabate, R; Pérez, B; Andrisano, V; Puigoriol-Illamola, D; Pallàs, M; Luque, FJ; Loza, MI; Brea, J; Ferrer, I; Ciruela, F; Messeguer, A; Muñoz-Torrero, D University of Barcelona (UB) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50560215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50560215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162650518 461830607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51386496 COc1cc2OC(C)(CC(=O)NCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1 InChI=1S/C42H52ClN3O4/c1-42(22-21-31-25-39(38(48-2)27-37(31)50-42)49-29-30-15-9-8-10-16-30)28-40(47)44-23-13-6-4-3-5-7-14-24-45-41-33-17-11-12-18-35(33)46-36-26-32(43)19-20-34(36)41/h8-10,15-16,19-20,25-27H,3-7,11-14,17-18,21-24,28-29H2,1-2H3,(H,44,47)(H,45,46) OMCLEUFICTWJAY-UHFFFAOYSA-N 50560214 CHEMBL4789620 Beta-secretase 1 Homo sapiens 7190 ChEMBL 10.1021/acs.jmedchem.0c00528 10.7270/Q23N2733 32706255 Pérez-Areales, FJ; Garrido, M; Aso, E; Bartolini, M; De Simone, A; Espargaró, A; Ginex, T; Sabate, R; Pérez, B; Andrisano, V; Puigoriol-Illamola, D; Pallàs, M; Luque, FJ; Loza, MI; Brea, J; Ferrer, I; Ciruela, F; Messeguer, A; Muñoz-Torrero, D University of Barcelona (UB) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50560214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50560214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162669450 461830606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51386497 COc1cc2OC(C)(CC(=O)NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1 InChI=1S/C39H46ClN3O4/c1-39(19-18-28-22-36(35(45-2)24-34(28)47-39)46-26-27-12-6-5-7-13-27)25-37(44)41-20-10-3-4-11-21-42-38-30-14-8-9-15-32(30)43-33-23-29(40)16-17-31(33)38/h5-7,12-13,16-17,22-24H,3-4,8-11,14-15,18-21,25-26H2,1-2H3,(H,41,44)(H,42,43) SRUORENXKCKPFF-UHFFFAOYSA-N 50560213 CHEMBL4789172 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.1021/acs.jmedchem.0c00528 10.7270/Q23N2733 32706255 Pérez-Areales, FJ; Garrido, M; Aso, E; Bartolini, M; De Simone, A; Espargaró, A; Ginex, T; Sabate, R; Pérez, B; Andrisano, V; Puigoriol-Illamola, D; Pallàs, M; Luque, FJ; Loza, MI; Brea, J; Ferrer, I; Ciruela, F; Messeguer, A; Muñoz-Torrero, D University of Barcelona (UB) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50560213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50560213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162669813 461830605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385728 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF3N3OS/c1-29-11-20-8-18(20)21(10-23,28-19(26)30-20)14-6-12(2-4-15(14)24)7-16(25)17-5-3-13(22)9-27-17/h2-7,9,18H,8,10-11H2,1H3,(H2,26,28)/b16-7+/t18-,20-,21-/m1/s1 DGFXDPYXKFNNAW-VDTLHJFLSA-N 372697 (1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 101 Beta-secretase 1 Homo sapiens 303 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524829 402359633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385729 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF3N3OS/c1-29-11-20-8-18(20)21(10-23,28-19(26)30-20)14-6-12(2-4-15(14)24)7-16(25)17-5-3-13(22)9-27-17/h2-7,9,18H,8,10-11H2,1H3,(H2,26,28)/b16-7-/t18-,20-,21-/m1/s1 DGFXDPYXKFNNAW-RPXRUMITSA-N 372696 (1S,5S,6S)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 100 Beta-secretase 1 Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524156 402359632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385730 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H19ClF2N4O2S/c1-29-10-19-7-16(19)20(9-22,27-18(24)30-19)13-6-12(3-4-14(13)23)26-17(28)15-5-2-11(21)8-25-15/h2-6,8,16H,7,9-10H2,1H3,(H2,24,27)(H,26,28)/t16-,19-,20-/m1/s1 BNGBJDRMXVMOAE-NSISKUIASA-N 50559903 CHEMBL4760131 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50559903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50559903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126488347 461830295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385731 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4OS/c1-21(19-9-22(19,12-29-2)30-20(26)28-21)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(10-25)11-27-18/h3-8,11,19H,9,12H2,1-2H3,(H2,26,28)/b17-8-/t19-,21+,22+/m0/s1 OBIFLVXHXRJOKM-FQRJWFRCSA-N 372887 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 293 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523873 402359822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385732 CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H18F2N4OS/c1-12(29)22-9-19(22)21(2,28-20(26)30-22)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(10-25)11-27-18/h3-8,11,19H,9H2,1-2H3,(H2,26,28)/b17-8-/t19-,21+,22+/m0/s1 BXVBTUULDWOVOF-FQRJWFRCSA-N 372822 6-((Z)-2-(3-((1S,5S,6S)-1-acetyl-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 238 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558779 402359757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385733 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F2N4O2S2/c1-20(18-9-21(18,31(2,28)29)30-19(25)27-20)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(10-24)11-26-17/h3-8,11,18H,9H2,1-2H3,(H2,25,27)/b16-8-/t18-,20+,21+/m0/s1 GFASAWMOOYRMJU-WYVHCHOOSA-N 372817 6-((Z)-2-(3-((1R,5S,6S)-3-amino-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 233 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285478 402359752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385734 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H19F2N5OS/c1-21(18-9-22(18,19(30)27-2)31-20(26)29-21)14-7-12(3-5-15(14)23)8-16(24)17-6-4-13(10-25)11-28-17/h3-8,11,18H,9H2,1-2H3,(H2,26,29)(H,27,30)/b16-8-/t18-,21+,22-/m0/s1 XXLIOBKVJNBTMS-ZKMBLFMTSA-N 372806 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 222 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556763 402359741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385735 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H21F2N5OS/c1-22(19-10-23(19,20(31)30(2)3)32-21(27)29-22)15-8-13(4-6-16(15)24)9-17(25)18-7-5-14(11-26)12-28-18/h4-9,12,19H,10H2,1-3H3,(H2,27,29)/b17-9-/t19-,22+,23-/m0/s1 JZDMWPTVBRAJMZ-OZNMDXOXSA-N 372702 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 106 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557036 402359638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385736 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H21F2N5OS/c1-23(20-11-24(20,33-22(28)30-23)21(32)31-7-2-8-31)16-9-14(3-5-17(16)25)10-18(26)19-6-4-15(12-27)13-29-19/h3-6,9-10,13,20H,2,7-8,11H2,1H3,(H2,28,30)/b18-10-/t20-,23+,24-/m0/s1 HLXYTIWCONMVCO-GQRGEFGTSA-N 372719 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(azetidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 123 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524300 402359655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385737 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5OS/c1-24(21-12-25(21,34-23(29)31-24)22(33)32-8-2-3-9-32)17-10-15(4-6-18(17)26)11-19(27)20-7-5-16(13-28)14-30-20/h4-7,10-11,14,21H,2-3,8-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 BVIPSJSEJQGVKV-MYMUPAQMSA-N 372703 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 107 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524148 402359639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385738 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5OS/c1-25(22-13-26(22,35-24(30)32-25)23(34)33-9-3-2-4-10-33)18-11-16(5-7-19(18)27)12-20(28)21-8-6-17(14-29)15-31-21/h5-8,11-12,15,22H,2-4,9-10,13H2,1H3,(H2,30,32)/b20-12-/t22-,25+,26-/m0/s1 SWVMBKBHZPWAQL-VPLUUOPTSA-N 372742 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 146 Beta-secretase 1 Homo sapiens 0.900000 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524292 402359678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385739 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 VZHFJCNPAIRJSA-MYMUPAQMSA-N 372720 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 124 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search U64 6WNY 126557115 402359656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385740 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C24H22F2N6O2S/c1-23(20-10-24(20,35-22(28)31-23)21(33)32-4-6-34-7-5-32)16-8-14(2-3-17(16)25)9-18(26)19-13-29-15(11-27)12-30-19/h2-3,8-9,12-13,20H,4-7,10H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1 KSLJUUCKMWVFIH-AWTRGSECSA-N 372784 5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 200 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524400 402359720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385741 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C\c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3OS/c1-28-12-20-9-18(20)21(11-23,27-19(25)29-20)16-8-13(3-7-17(16)24)2-5-15-6-4-14(22)10-26-15/h2-8,10,18H,9,11-12H2,1H3,(H2,25,27)/b5-2+/t18-,20-,21-/m1/s1 OQLQVZYNLHFGOD-ICCSCMJLSA-N 50559904 CHEMBL4788256 Beta-secretase 1 Homo sapiens 940 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50559904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50559904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162668731 461830296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385756 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF3N3OS/c1-29-11-20-8-18(20)21(10-23,28-19(26)30-20)14-6-12(2-4-15(14)24)7-16(25)17-5-3-13(22)9-27-17/h2-7,9,18H,8,10-11H2,1H3,(H2,26,28)/b16-7+/t18-,20-,21-/m1/s1 DGFXDPYXKFNNAW-VDTLHJFLSA-N 372697 (1S,5S,6S)-5-(5-((E)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 101 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524829 402359633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385757 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C21H19ClF3N3OS/c1-29-11-20-8-18(20)21(10-23,28-19(26)30-20)14-6-12(2-4-15(14)24)7-16(25)17-5-3-13(22)9-27-17/h2-7,9,18H,8,10-11H2,1H3,(H2,26,28)/b16-7-/t18-,20-,21-/m1/s1 DGFXDPYXKFNNAW-RPXRUMITSA-N 372696 (1S,5S,6S)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine::US10246429, Example 100 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524156 402359632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385758 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H19ClF2N4O2S/c1-29-10-19-7-16(19)20(9-22,27-18(24)30-19)13-6-12(3-4-14(13)23)26-17(28)15-5-2-11(21)8-25-15/h2-6,8,16H,7,9-10H2,1H3,(H2,24,27)(H,26,28)/t16-,19-,20-/m1/s1 BNGBJDRMXVMOAE-NSISKUIASA-N 50559903 CHEMBL4760131 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50559903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50559903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126488347 461830295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385759 COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H20F2N4OS/c1-21(19-9-22(19,12-29-2)30-20(26)28-21)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(10-25)11-27-18/h3-8,11,19H,9,12H2,1-2H3,(H2,26,28)/b17-8-/t19-,21+,22+/m0/s1 OBIFLVXHXRJOKM-FQRJWFRCSA-N 372887 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 293 Beta-secretase 1 Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372887&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126523873 402359822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385760 CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H18F2N4OS/c1-12(29)22-9-19(22)21(2,28-20(26)30-22)15-7-13(3-5-16(15)23)8-17(24)18-6-4-14(10-25)11-27-18/h3-8,11,19H,9H2,1-2H3,(H2,26,28)/b17-8-/t19-,21+,22+/m0/s1 BXVBTUULDWOVOF-FQRJWFRCSA-N 372822 6-((Z)-2-(3-((1S,5S,6S)-1-acetyl-3-amino-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 238 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126558779 402359757 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385761 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H18F2N4O2S2/c1-20(18-9-21(18,31(2,28)29)30-19(25)27-20)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(10-24)11-26-17/h3-8,11,18H,9H2,1-2H3,(H2,25,27)/b16-8-/t18-,20+,21+/m0/s1 GFASAWMOOYRMJU-WYVHCHOOSA-N 372817 6-((Z)-2-(3-((1R,5S,6S)-3-amino-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 233 Beta-secretase 1 Homo sapiens 9.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135285478 402359752 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385762 CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H19F2N5OS/c1-21(18-9-22(18,19(30)27-2)31-20(26)29-21)14-7-12(3-5-15(14)23)8-16(24)17-6-4-13(10-25)11-28-17/h3-8,11,18H,9H2,1-2H3,(H2,26,29)(H,27,30)/b16-8-/t18-,21+,22-/m0/s1 XXLIOBKVJNBTMS-ZKMBLFMTSA-N 372806 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 222 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126556763 402359741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385763 CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C23H21F2N5OS/c1-22(19-10-23(19,20(31)30(2)3)32-21(27)29-22)15-8-13(4-6-16(15)24)9-17(25)18-7-5-14(11-26)12-28-18/h4-9,12,19H,10H2,1-3H3,(H2,27,29)/b17-9-/t19-,22+,23-/m0/s1 JZDMWPTVBRAJMZ-OZNMDXOXSA-N 372702 (1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide::US10246429, Example 106 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126557036 402359638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385764 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H21F2N5OS/c1-23(20-11-24(20,33-22(28)30-23)21(32)31-7-2-8-31)16-9-14(3-5-17(16)25)10-18(26)19-6-4-15(12-27)13-29-19/h3-6,9-10,13,20H,2,7-8,11H2,1H3,(H2,28,30)/b18-10-/t20-,23+,24-/m0/s1 HLXYTIWCONMVCO-GQRGEFGTSA-N 372719 6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(azetidine-1-carbonyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 123 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524300 402359655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385765 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5OS/c1-24(21-12-25(21,34-23(29)31-24)22(33)32-8-2-3-9-32)17-10-15(4-6-18(17)26)11-19(27)20-7-5-16(13-28)14-30-20/h4-7,10-11,14,21H,2-3,8-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 BVIPSJSEJQGVKV-MYMUPAQMSA-N 372703 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 107 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524148 402359639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385766 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H25F2N5OS/c1-25(22-13-26(22,35-24(30)32-25)23(34)33-9-3-2-4-10-33)18-11-16(5-7-19(18)27)12-20(28)21-8-6-17(14-29)15-31-21/h5-8,11-12,15,22H,2-4,9-10,13H2,1H3,(H2,30,32)/b20-12-/t22-,25+,26-/m0/s1 SWVMBKBHZPWAQL-VPLUUOPTSA-N 372742 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 146 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524292 402359678 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385767 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 VZHFJCNPAIRJSA-MYMUPAQMSA-N 372720 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 124 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search U64 6WNY 126557115 402359656 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385768 C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C24H22F2N6O2S/c1-23(20-10-24(20,35-22(28)31-23)21(33)32-4-6-34-7-5-32)16-8-14(2-3-17(16)25)9-18(26)19-13-29-15(11-27)12-30-19/h2-3,8-9,12-13,20H,4-7,10H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1 KSLJUUCKMWVFIH-AWTRGSECSA-N 372784 5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10246429, Example 200 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=372784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=372784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126524400 402359720 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51385769 COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C\c2ccc(Cl)cn2)ccc1F InChI=1S/C21H20ClF2N3OS/c1-28-12-20-9-18(20)21(11-23,27-19(25)29-20)16-8-13(3-7-17(16)24)2-5-15-6-4-14(22)10-26-15/h2-8,10,18H,9,11-12H2,1H3,(H2,25,27)/b5-2+/t18-,20-,21-/m1/s1 OQLQVZYNLHFGOD-ICCSCMJLSA-N 50559904 CHEMBL4788256 Beta-secretase 1 Homo sapiens 2200 ChEMBL 10.1016/j.bmcl.2020.127240 10.7270/Q2Z323C8 32527542 Frohn, M; Liu, L; Siegmund, AC; Qian, W; Amegadzie, A; Chen, N; Tan, H; Hickman, D; Wood, S; Wen, PH; Bartberger, MD; Whittington, DA; Allen, JR; Bourbeau, MP Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50559904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50559904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162668731 461830296 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350035 CC(C)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C19H24Cl2N2O3S/c1-13(2)11-23(12-18(24)19(22)14-6-4-3-5-7-14)27(25,26)15-8-9-16(20)17(21)10-15/h3-10,13,18-19,24H,11-12,22H2,1-2H3/t18-,19-/m0/s1 YZSHYKDKXBISOU-OALUTQOASA-N 50546118 CHEMBL4762370 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/acsmedchemlett.9b00044 10.7270/Q2S1863Z 31223443 Velcicky, J; Mathison, CJN; Nikulin, V; Pflieger, D; Epple, R; Azimioara, M; Cow, C; Michellys, PY; Rigollier, P; Beisner, DR; Bodendorf, U; Guerini, D; Liu, B; Wen, B; Zaharevitz, S; Brandl, T Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546118&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162660657 461689881 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350104 O=C(N\N=C\c1ccccc1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H19N5O/c23-17(20-19-14-15-6-2-1-3-7-15)22-12-10-21(11-13-22)16-8-4-5-9-18-16/h1-9,14H,10-13H2,(H,20,23)/b19-14+ STEXUOBWQLSVBF-XMHGGMMESA-N 50546141 CHEMBL4743485 Beta-secretase 1 Homo sapiens 7690 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162645976 461689904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350105 COc1cccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c1OC InChI=1S/C19H23N5O3/c1-26-16-7-5-6-15(18(16)27-2)14-21-22-19(25)24-12-10-23(11-13-24)17-8-3-4-9-20-17/h3-9,14H,10-13H2,1-2H3,(H,22,25)/b21-14+ GIODLOMLRUKQIP-KGENOOAVSA-N 50546142 CHEMBL4794098 Beta-secretase 1 Homo sapiens 6820 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162673402 461689905 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350106 COc1cc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc(OC)c1OC InChI=1S/C20H25N5O4/c1-27-16-12-15(13-17(28-2)19(16)29-3)14-22-23-20(26)25-10-8-24(9-11-25)18-6-4-5-7-21-18/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)/b22-14+ ZPJWCVJWFWNSQI-HYARGMPZSA-N 50546143 CHEMBL4800161 Beta-secretase 1 Homo sapiens 4640 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546143&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162676580 461689906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350107 Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C17H19N5O2/c23-15-6-4-14(5-7-15)13-19-20-17(24)22-11-9-21(10-12-22)16-3-1-2-8-18-16/h1-8,13,23H,9-12H2,(H,20,24)/b19-13+ AZCBJXZCMZTCKJ-CPNJWEJPSA-N 50546144 CHEMBL4793006 Beta-secretase 1 Homo sapiens 4680 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162672169 461689907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350108 Oc1ccccc1\C=N\NC(=O)N1CCN(CC1)c1ccccn1 InChI=1S/C17H19N5O2/c23-15-6-2-1-5-14(15)13-19-20-17(24)22-11-9-21(10-12-22)16-7-3-4-8-18-16/h1-8,13,23H,9-12H2,(H,20,24)/b19-13+ ARPWBQZXQIRDJX-CPNJWEJPSA-N 50546145 CHEMBL4758274 Beta-secretase 1 Homo sapiens 5880 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162656943 461689908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350109 Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c(O)c1 InChI=1S/C17H19N5O3/c23-14-5-4-13(15(24)11-14)12-19-20-17(25)22-9-7-21(8-10-22)16-3-1-2-6-18-16/h1-6,11-12,23-24H,7-10H2,(H,20,25)/b19-12+ ZPZVREJFRQRDRN-XDHOZWIPSA-N 50546146 CHEMBL4756828 Beta-secretase 1 Homo sapiens 4640 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162655296 461689909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350110 Cc1cccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c1 InChI=1S/C18H21N5O/c1-15-5-4-6-16(13-15)14-20-21-18(24)23-11-9-22(10-12-23)17-7-2-3-8-19-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)/b20-14+ HCMDTJKJOPROCK-XSFVSMFZSA-N 50546147 CHEMBL4763376 Beta-secretase 1 Homo sapiens 4370 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162660065 461689910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350111 Cc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C18H21N5O/c1-15-5-7-16(8-6-15)14-20-21-18(24)23-12-10-22(11-13-23)17-4-2-3-9-19-17/h2-9,14H,10-13H2,1H3,(H,21,24)/b20-14+ JXXLYDKWJOYVAM-XSFVSMFZSA-N 50546148 CHEMBL4798846 Beta-secretase 1 Homo sapiens 3920 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162675182 461689911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350112 [O-][N+](=O)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C17H18N6O3/c24-17(20-19-13-14-4-6-15(7-5-14)23(25)26)22-11-9-21(10-12-22)16-3-1-2-8-18-16/h1-8,13H,9-12H2,(H,20,24)/b19-13+ ZCVJLFXHXPOQPS-CPNJWEJPSA-N 50546149 CHEMBL4744259 Beta-secretase 1 Homo sapiens 2640 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162645735 461689912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350113 FC(F)(F)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C18H18F3N5O/c19-18(20,21)15-6-4-14(5-7-15)13-23-24-17(27)26-11-9-25(10-12-26)16-3-1-2-8-22-16/h1-8,13H,9-12H2,(H,24,27)/b23-13+ AXEQAWVHVFYXJD-YDZHTSKRSA-N 50546150 CHEMBL4748077 Beta-secretase 1 Homo sapiens 1820 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162649908 461689913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350114 FC(F)(F)Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C18H18F3N5O2/c19-18(20,21)28-15-6-4-14(5-7-15)13-23-24-17(27)26-11-9-25(10-12-26)16-3-1-2-8-22-16/h1-8,13H,9-12H2,(H,24,27)/b23-13+ PAFWRCFXMCMCJZ-YDZHTSKRSA-N 50546151 CHEMBL4782122 Beta-secretase 1 Homo sapiens 248 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546151&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162664050 461689914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350115 Clc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C17H18ClN5O/c18-15-6-4-14(5-7-15)13-20-21-17(24)23-11-9-22(10-12-23)16-3-1-2-8-19-16/h1-8,13H,9-12H2,(H,21,24)/b20-13+ SVGUUFXJKYXVCE-DEDYPNTBSA-N 50546152 CHEMBL4740676 Beta-secretase 1 Homo sapiens 2960 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162644888 461689915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350116 Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C17H18FN5O/c18-15-6-4-14(5-7-15)13-20-21-17(24)23-11-9-22(10-12-23)16-3-1-2-8-19-16/h1-8,13H,9-12H2,(H,21,24)/b20-13+ RDMQFNXWGNSNBR-DEDYPNTBSA-N 50546153 CHEMBL4788019 Beta-secretase 1 Homo sapiens 1240 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162668601 461689916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350117 Brc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C17H18BrN5O/c18-15-6-4-14(5-7-15)13-20-21-17(24)23-11-9-22(10-12-23)16-3-1-2-8-19-16/h1-8,13H,9-12H2,(H,21,24)/b20-13+ YTFNVENKXHSUIQ-DEDYPNTBSA-N 50546154 CHEMBL4746898 Beta-secretase 1 Homo sapiens 296 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162650573 461689917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350118 Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c(F)c1 InChI=1S/C17H17F2N5O/c18-14-5-4-13(15(19)11-14)12-21-22-17(25)24-9-7-23(8-10-24)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2,(H,22,25)/b21-12+ BDZFARBGYZRYRF-CIAFOILYSA-N 50546155 CHEMBL4763434 Beta-secretase 1 Homo sapiens 446 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162660499 461689918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350119 C1CN(CCN1c1nnc(o1)-c1ccccc1)c1ccccn1 InChI=1S/C17H17N5O/c1-2-6-14(7-3-1)16-19-20-17(23-16)22-12-10-21(11-13-22)15-8-4-5-9-18-15/h1-9H,10-13H2 NBMHQAWRLMBPET-UHFFFAOYSA-N 50546156 CHEMBL4746559 Beta-secretase 1 Homo sapiens 3220 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162649027 461689919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350120 COc1cccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c1OC InChI=1S/C19H21N5O3/c1-25-15-7-5-6-14(17(15)26-2)18-21-22-19(27-18)24-12-10-23(11-13-24)16-8-3-4-9-20-16/h3-9H,10-13H2,1-2H3 OKEASALJUMYWFO-UHFFFAOYSA-N 50546157 CHEMBL4744191 Beta-secretase 1 Homo sapiens 2160 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162646995 461689920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350121 COc1cc(cc(OC)c1OC)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C20H23N5O4/c1-26-15-12-14(13-16(27-2)18(15)28-3)19-22-23-20(29-19)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,12-13H,8-11H2,1-3H3 SPBDMKHPKACUMT-UHFFFAOYSA-N 50546158 CHEMBL4745534 Beta-secretase 1 Homo sapiens 3240 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162647442 461689921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350122 Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H17N5O2/c23-14-6-4-13(5-7-14)16-19-20-17(24-16)22-11-9-21(10-12-22)15-3-1-2-8-18-15/h1-8,23H,9-12H2 BQNZOYNZEQEQRF-UHFFFAOYSA-N 50546159 CHEMBL4746180 Beta-secretase 1 Homo sapiens 1780 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162647478 461689922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350123 Oc1ccccc1-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H17N5O2/c23-14-6-2-1-5-13(14)16-19-20-17(24-16)22-11-9-21(10-12-22)15-7-3-4-8-18-15/h1-8,23H,9-12H2 HCUYMFWFASKLTP-UHFFFAOYSA-N 50546160 CHEMBL4782180 Beta-secretase 1 Homo sapiens 2230 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546160&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162664601 461689923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350124 Oc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(O)c1 InChI=1S/C17H17N5O3/c23-12-4-5-13(14(24)11-12)16-19-20-17(25-16)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11,23-24H,7-10H2 UXAIEWGYPKPAOR-UHFFFAOYSA-N 50546161 CHEMBL4761564 Beta-secretase 1 Homo sapiens 382 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546161&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162659423 461689924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350125 Cc1cccc(c1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C18H19N5O/c1-14-5-4-6-15(13-14)17-20-21-18(24-17)23-11-9-22(10-12-23)16-7-2-3-8-19-16/h2-8,13H,9-12H2,1H3 BCPJRBVIGIXBMJ-UHFFFAOYSA-N 50546162 CHEMBL4752466 Beta-secretase 1 Homo sapiens 2640 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546162&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162652557 461689925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350126 Cc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C18H19N5O/c1-14-5-7-15(8-6-14)17-20-21-18(24-17)23-12-10-22(11-13-23)16-4-2-3-9-19-16/h2-9H,10-13H2,1H3 GEYOUWOYXCLTLH-UHFFFAOYSA-N 50546163 CHEMBL4743358 Beta-secretase 1 Homo sapiens 2480 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546163&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162646154 461689926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350127 [O-][N+](=O)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H16N6O3/c24-23(25)14-6-4-13(5-7-14)16-19-20-17(26-16)22-11-9-21(10-12-22)15-3-1-2-8-18-15/h1-8H,9-12H2 CFFQCZLSZQGOOU-UHFFFAOYSA-N 50546164 CHEMBL4754304 Beta-secretase 1 Homo sapiens 1340 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162654477 461689927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350128 FC(F)(F)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C18H16F3N5O/c19-18(20,21)14-6-4-13(5-7-14)16-23-24-17(27-16)26-11-9-25(10-12-26)15-3-1-2-8-22-15/h1-8H,9-12H2 SSUCJZRGMBQGJK-UHFFFAOYSA-N 50546165 CHEMBL4764740 Beta-secretase 1 Homo sapiens 465 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546165&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162660949 461689928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350129 FC(F)(F)Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C18H16F3N5O2/c19-18(20,21)28-14-6-4-13(5-7-14)16-23-24-17(27-16)26-11-9-25(10-12-26)15-3-1-2-8-22-15/h1-8H,9-12H2 MQCXVHYEWNJWKF-UHFFFAOYSA-N 50546166 CHEMBL4793365 Beta-secretase 1 Homo sapiens 822 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546166&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162673871 461689929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350130 Clc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H16ClN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2 KBIVDYZJPVDUPZ-UHFFFAOYSA-N 50546167 CHEMBL4756730 Beta-secretase 1 Homo sapiens 1320 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162656066 461689930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350131 Fc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2 ZXRSUUCBQJQXFN-UHFFFAOYSA-N 50546168 CHEMBL4761911 Beta-secretase 1 Homo sapiens 1480 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162659720 461689931 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350132 Brc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 InChI=1S/C17H16BrN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2 OGMDVMWMCVEIDI-UHFFFAOYSA-N 50546169 CHEMBL4779999 Beta-secretase 1 Homo sapiens 126 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162662842 461689932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350133 Fc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(F)c1 InChI=1S/C17H15F2N5O/c18-12-4-5-13(14(19)11-12)16-21-22-17(25-16)24-9-7-23(8-10-24)15-3-1-2-6-20-15/h1-6,11H,7-10H2 JDYATWHUSHCNRV-UHFFFAOYSA-N 50546170 CHEMBL4759108 Beta-secretase 1 Homo sapiens 98 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50546170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50546170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162657748 461689933 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51350134 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 8960 (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one::2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one::Aricept::Aricept odt::CHEMBL1678::CHEMBL2337271::CHEMBL502::DONEPEZIL HYDROCHLORIDE::Donepezil::Donepzil::E2020::US8999994, Donepezil::US9346818, DPH::US9586925, Donepezil::US9663465, Donepezil Beta-secretase 1 Homo sapiens 362 ChEMBL 10.1016/j.ejmech.2019.111707 10.7270/Q2833WM3 31561043 Tripathi, A; Choubey, PK; Sharma, P; Seth, A; Tripathi, PN; Tripathi, MK; Prajapati, SK; Krishnamurthy, S; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E20 1EVE,4EY7,7E3H,6O4W 3152 46509735 53289 CHEMBL502CHEMBL1678CHEMBL2337271 DB00843 6599 ZINC00897251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370653 C(N1CCC(C1)\N=C/c1ccccc1)c1ccccc1 InChI=1S/C18H20N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,13,18H,11-12,14-15H2/b19-13- ZLKPJIXUEUCDST-UYRXBGFRSA-N 50554130 CHEMBL4796307 Beta-secretase 1 Homo sapiens 4381 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554130&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162675587 461692898 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370654 COc1cc(\C=N/C2CCN(Cc3ccccc3)C2)cc(OC)c1OC InChI=1S/C21H26N2O3/c1-24-19-11-17(12-20(25-2)21(19)26-3)13-22-18-9-10-23(15-18)14-16-7-5-4-6-8-16/h4-8,11-13,18H,9-10,14-15H2,1-3H3/b22-13- SKKBAZVFTGGGGC-XKZIYDEJSA-N 50554132 CHEMBL4745500 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162648871 461692900 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370655 Oc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H20N2O/c21-18-8-6-15(7-9-18)12-19-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,12,17,21H,10-11,13-14H2/b19-12- PZHPKJUFRLHDEU-UNOMPAQXSA-N 50554133 CHEMBL4755117 Beta-secretase 1 Homo sapiens 4584 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162654263 461692901 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370656 Oc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)c(O)c1 InChI=1S/C18H20N2O2/c21-17-7-6-15(18(22)10-17)11-19-16-8-9-20(13-16)12-14-4-2-1-3-5-14/h1-7,10-11,16,21-22H,8-9,12-13H2/b19-11- IZAYEKLSRQREBG-ODLFYWEKSA-N 50554135 CHEMBL4780232 Beta-secretase 1 Homo sapiens 4426 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554135&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162662518 461692903 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370657 [O-][N+](=O)c1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H19N3O2/c22-21(23)18-8-6-15(7-9-18)12-19-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,12,17H,10-11,13-14H2/b19-12- PAQULTPIKMYIGM-UNOMPAQXSA-N 50554138 CHEMBL4757415 Beta-secretase 1 Homo sapiens 3785 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162656167 461692906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370658 FC(F)(F)c1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C19H19F3N2/c20-19(21,22)17-8-6-15(7-9-17)12-23-18-10-11-24(14-18)13-16-4-2-1-3-5-16/h1-9,12,18H,10-11,13-14H2/b23-12- TWJVTBLXKNKWSB-FMCGGJTJSA-N 50554139 CHEMBL4792691 Beta-secretase 1 Homo sapiens 683 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162670612 461692907 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370659 FC(F)(F)Oc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C19H19F3N2O/c20-19(21,22)25-18-8-6-15(7-9-18)12-23-17-10-11-24(14-17)13-16-4-2-1-3-5-16/h1-9,12,17H,10-11,13-14H2/b23-12- JSWKVMGDOWLBIK-FMCGGJTJSA-N 50554140 CHEMBL4755226 Beta-secretase 1 Homo sapiens 2089 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162654327 461692908 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370660 Clc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H19ClN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,12,18H,10-11,13-14H2/b20-12- WTWYZVLQGXCINR-NDENLUEZSA-N 50554141 CHEMBL4785769 Beta-secretase 1 Homo sapiens 1262 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162666991 461692909 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370661 Fc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H19FN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,12,18H,10-11,13-14H2/b20-12- DEGSUXMFHIVOEM-NDENLUEZSA-N 50554142 CHEMBL4797109 Beta-secretase 1 Homo sapiens 1959 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554142&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162674974 461692910 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370662 Brc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H19BrN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,12,18H,10-11,13-14H2/b20-12- UFQXXDQICIOZAL-NDENLUEZSA-N 50554143 CHEMBL4794000 Beta-secretase 1 Homo sapiens 1752 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554143&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162672470 461692911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370663 Fc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)c(F)c1 InChI=1S/C18H18F2N2/c19-16-7-6-15(18(20)10-16)11-21-17-8-9-22(13-17)12-14-4-2-1-3-5-14/h1-7,10-11,17H,8-9,12-13H2/b21-11- QJPWWFHANHHHDO-NHDPSOOVSA-N 50554144 CHEMBL4744470 Beta-secretase 1 Homo sapiens 2648 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554144&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162648138 461692912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370664 C(NC1CCN(Cc2ccccc2)C1)c1ccccc1 InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2 BHEXKVGLZMEJRQ-UHFFFAOYSA-N 50554145 CHEMBL4758638 Beta-secretase 1 Homo sapiens 2419 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554145&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 14098325 461692913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370665 COc1cccc(CNC2CCN(Cc3ccccc3)C2)c1OC InChI=1S/C20H26N2O2/c1-23-19-10-6-9-17(20(19)24-2)13-21-18-11-12-22(15-18)14-16-7-4-3-5-8-16/h3-10,18,21H,11-15H2,1-2H3 FUJGEURJBFJMHI-UHFFFAOYSA-N 50554146 CHEMBL4747185 Beta-secretase 1 Homo sapiens 2856 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554146&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162649949 461692914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370666 COc1cc(CNC2CCN(Cc3ccccc3)C2)cc(OC)c1OC InChI=1S/C21H28N2O3/c1-24-19-11-17(12-20(25-2)21(19)26-3)13-22-18-9-10-23(15-18)14-16-7-5-4-6-8-16/h4-8,11-12,18,22H,9-10,13-15H2,1-3H3 SYXPKAXGFWBJTP-UHFFFAOYSA-N 50554147 CHEMBL4757216 Beta-secretase 1 Homo sapiens 844 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554147&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162657055 461692915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370667 Oc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H22N2O/c21-18-8-6-15(7-9-18)12-19-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,17,19,21H,10-14H2 AGDPSYPPGBDUIX-UHFFFAOYSA-N 50554148 CHEMBL4764465 Beta-secretase 1 Homo sapiens 968 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554148&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 16259076 461692916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370668 Oc1ccccc1CNC1CCN(Cc2ccccc2)C1 InChI=1S/C18H22N2O/c21-18-9-5-4-8-16(18)12-19-17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,17,19,21H,10-14H2 GMSWYGVWFRVORO-UHFFFAOYSA-N 50554149 CHEMBL4778302 Beta-secretase 1 Homo sapiens 2374 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554149&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43714655 461692917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370669 Oc1ccc(CNC2CCN(Cc3ccccc3)C2)c(O)c1 InChI=1S/C18H22N2O2/c21-17-7-6-15(18(22)10-17)11-19-16-8-9-20(13-16)12-14-4-2-1-3-5-14/h1-7,10,16,19,21-22H,8-9,11-13H2 NCCVVESLAYPODT-UHFFFAOYSA-N 50554150 CHEMBL4756849 Beta-secretase 1 Homo sapiens 482 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554150&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162656777 461692918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370670 Cc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C19H24N2/c1-16-7-9-17(10-8-16)13-20-19-11-12-21(15-19)14-18-5-3-2-4-6-18/h2-10,19-20H,11-15H2,1H3 KAVGFUSYIFGSSP-UHFFFAOYSA-N 50554152 CHEMBL4763724 Beta-secretase 1 Homo sapiens 2245 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554152&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43085118 461692920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370671 [O-][N+](=O)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H21N3O2/c22-21(23)18-8-6-15(7-9-18)12-19-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,17,19H,10-14H2 AQMYHUHZQYKIDD-UHFFFAOYSA-N 50554153 CHEMBL4796846 Beta-secretase 1 Homo sapiens 1814 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554153&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162675364 461692921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370672 FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C19H21F3N2/c20-19(21,22)17-8-6-15(7-9-17)12-23-18-10-11-24(14-18)13-16-4-2-1-3-5-16/h1-9,18,23H,10-14H2 HHNLYSCYFKASFN-UHFFFAOYSA-N 50554154 CHEMBL4761542 Beta-secretase 1 Homo sapiens 975 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554154&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162659207 461692922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370673 FC(F)(F)Oc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C19H21F3N2O/c20-19(21,22)25-18-8-6-15(7-9-18)12-23-17-10-11-24(14-17)13-16-4-2-1-3-5-16/h1-9,17,23H,10-14H2 RLLGGQDQUFVCQL-UHFFFAOYSA-N 50554155 CHEMBL4793341 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 55464305 461692923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370674 Clc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H21ClN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2 CMDAIEIUZXBLAW-UHFFFAOYSA-N 50554156 CHEMBL4760651 Beta-secretase 1 Homo sapiens 163 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 42878541 461692924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370675 Fc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2 IQOXJBXAAJLNTO-UHFFFAOYSA-N 50554157 CHEMBL4749704 Beta-secretase 1 Homo sapiens 824 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43085117 461692925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370676 Brc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1 InChI=1S/C18H21BrN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2 KAXBOKVMLFLTDR-UHFFFAOYSA-N 50554158 CHEMBL4741398 Beta-secretase 1 Homo sapiens 648 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554158&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 43221362 461692926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370677 Fc1ccc(CNC2CCN(Cc3ccccc3)C2)c(F)c1 InChI=1S/C18H20F2N2/c19-16-7-6-15(18(20)10-16)11-21-17-8-9-22(13-17)12-14-4-2-1-3-5-14/h1-7,10,17,21H,8-9,11-13H2 GZGCQOBTRUVMOI-UHFFFAOYSA-N 50554159 CHEMBL4752715 Beta-secretase 1 Homo sapiens 97 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50554159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50554159&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162652477 461692927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51370678 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 8960 (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one::2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one::Aricept::Aricept odt::CHEMBL1678::CHEMBL2337271::CHEMBL502::DONEPEZIL HYDROCHLORIDE::Donepezil::Donepzil::E2020::US8999994, Donepezil::US9346818, DPH::US9586925, Donepezil::US9663465, Donepezil Beta-secretase 1 Homo sapiens 362 ChEMBL 10.1016/j.bmc.2020.115721 10.7270/Q2J106T5 33007563 Choubey, PK; Tripathi, A; Sharma, P; Shrivastava, SK Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E20 1EVE,4EY7,7E3H,6O4W 3152 46509735 53289 CHEMBL502CHEMBL1678CHEMBL2337271 DB00843 6599 ZINC00897251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51375066 CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 InChI=1S/C23H26FN7O3S/c1-3-4-11-34-20-14-26-19(13-27-20)21(32)29-16-7-8-18(24)17(12-16)23(2)15-35(33)28-9-5-6-10-31(35)22(25)30-23/h7-8,12-14H,5-6,9-11,15H2,1-2H3,(H2,25,30)(H,29,32)/t23-,35+/m0/s1 QGBHKZZINIDUSU-IYLMVCPTSA-N 312923 5-But-2-ynyloxy-pyrazine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a¿6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 22 Beta-secretase 1 Homo sapiens 0.200000 ChEMBL 10.1021/acs.jmedchem.0c00960 10.7270/Q29W0K46 32870008 Mäder, P; Kattner, L Endotherm GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=312923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=312923&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91810398 383539872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51375067 C[C@]1(C[S@@]2(=O)=NCC(F)(F)CN2C(N)=N1)c1cc(NC(=O)c2cnc(cn2)C#N)ccc1F InChI=1S/C19H17F3N8O2S/c1-18(10-33(32)27-8-19(21,22)9-30(33)17(24)29-18)13-4-11(2-3-14(13)20)28-16(31)15-7-25-12(5-23)6-26-15/h2-4,6-7H,8-10H2,1H3,(H2,24,29)(H,28,31)/t18-,33+/m0/s1 GIYDWQFARRGSKJ-RTHCMUBDSA-N 50556040 CHEMBL4796231 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.0c00960 10.7270/Q29W0K46 32870008 Mäder, P; Kattner, L Endotherm GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556040&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162673255 461694808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51375068 NC1=N[C@@](CF)(C[S@@]2(=O)=NCCCCN12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H21F2N7O2S/c22-12-21(13-33(32)27-7-1-2-8-30(33)20(25)29-21)16-9-15(4-5-17(16)23)28-19(31)18-6-3-14(10-24)11-26-18/h3-6,9,11H,1-2,7-8,12-13H2,(H2,25,29)(H,28,31)/t21-,33+/m0/s1 KJBWPUVDNODFAY-AUSOSSAASA-N 50556041 CHEMBL4779761 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.0c00960 10.7270/Q29W0K46 32870008 Mäder, P; Kattner, L Endotherm GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556041&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162662666 461694809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51375069 CN1C(N)=N[C@@](C)(C[S@]1(=O)=NCC(F)(F)F)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H21F4N7O2S/c1-12-6-13(8-26)9-28-17(12)18(33)30-14-4-5-16(22)15(7-14)20(2)11-35(34,29-10-21(23,24)25)32(3)19(27)31-20/h4-7,9H,10-11H2,1-3H3,(H2,27,31)(H,30,33)/t20-,35-/m0/s1 OOHXZINQBNNEIN-NVXHTHCOSA-N 50556042 CHEMBL4740455 Beta-secretase 1 Homo sapiens 0.990000 ChEMBL 10.1021/acs.jmedchem.0c00960 10.7270/Q29W0K46 32870008 Mäder, P; Kattner, L Endotherm GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556042&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162644745 461694810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51375070 CN=[S@@]1(=O)C[C@](C)(N=C(N)N1CC(F)(F)F)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C21H21F4N7O2S/c1-12-6-13(8-26)9-29-17(12)18(33)30-14-4-5-16(22)15(7-14)20(2)11-35(34,28-3)32(19(27)31-20)10-21(23,24)25/h4-7,9H,10-11H2,1-3H3,(H2,27,31)(H,30,33)/t20-,35-/m0/s1 IGELCVKXEKUAED-NVXHTHCOSA-N 50556043 CHEMBL4740873 Beta-secretase 1 Homo sapiens 0.590000 ChEMBL 10.1021/acs.jmedchem.0c00960 10.7270/Q29W0K46 32870008 Mäder, P; Kattner, L Endotherm GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556043&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162646214 461694811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51512772 COc1ccc2cc(ccc2c1)-c1cn(C[C@@H]2Cc3c(CN2)[nH]c2ccccc32)nn1 InChI=1S/C25H23N5O/c1-31-20-9-8-16-10-18(7-6-17(16)11-20)25-15-30(29-28-25)14-19-12-22-21-4-2-3-5-23(21)27-24(22)13-26-19/h2-11,15,19,26-27H,12-14H2,1H3/t19-/m0/s1 KMYVRIXJVGPBJQ-IBGZPJMESA-N 50330180 (S)-3-((4-(6-methoxynaphthalen-2-yl)-1H-1,2,3-triazol-1-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole::CHEMBL1272322 Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.7270/Q2GF0ZQF 33528252 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50898620 123109295 CHEMBL1272322 ZINC64539043 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409627 CC1(Oc2cc(F)ccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H15F2N5O2/c1-22(29-20(26)15-5-3-13(23)8-19(15)31-22)16-9-14(4-6-17(16)24)28-21(30)18-7-2-12(10-25)11-27-18/h2-9,11H,1H3,(H2,26,29)(H,28,30) KVHZOBVERGYFHU-UHFFFAOYSA-N 50569343 CHEMBL4860049 Beta-secretase 1 Homo sapiens 61 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569343&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252841 471059488 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409628 CC1(Oc2ccccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16FN5O2/c1-22(28-20(25)15-4-2-3-5-19(15)30-22)16-10-14(7-8-17(16)23)27-21(29)18-9-6-13(11-24)12-26-18/h2-10,12H,1H3,(H2,25,28)(H,27,29) BQUPLGNIHPIARA-UHFFFAOYSA-N 50569344 CHEMBL4878135 Beta-secretase 1 Homo sapiens 82 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569344&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53252793 471059489 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409629 CC1(Cc2ccncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(9-14-6-7-26-12-16(14)20(25)29-22)17-8-15(3-4-18(17)23)28-21(30)19-5-2-13(10-24)11-27-19/h2-8,11-12H,9H2,1H3,(H2,25,29)(H,28,30) JKGKDTCSFLEUTI-UHFFFAOYSA-N 50569345 CHEMBL4876909 Beta-secretase 1 Homo sapiens 8.1 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56968931 471059490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409630 CC1(Cc2ncccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(10-19-15(20(25)29-22)3-2-8-26-19)16-9-14(5-6-17(16)23)28-21(30)18-7-4-13(11-24)12-27-18/h2-9,12H,10H2,1H3,(H2,25,29)(H,28,30) UAMUKIYPLKMANJ-UHFFFAOYSA-N 50569346 CHEMBL4847576 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759630 471059491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409631 CC1(Cc2cccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(10-14-3-2-8-26-19(14)20(25)29-22)16-9-15(5-6-17(16)23)28-21(30)18-7-4-13(11-24)12-27-18/h2-9,12H,10H2,1H3,(H2,25,29)(H,28,30) QIEFQYLCHKYOIE-UHFFFAOYSA-N 50569347 CHEMBL4878232 Beta-secretase 1 Homo sapiens 394 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759654 471059492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409632 CC1(Cc2cnccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(9-14-12-26-7-6-16(14)20(25)29-22)17-8-15(3-4-18(17)23)28-21(30)19-5-2-13(10-24)11-27-19/h2-8,11-12H,9H2,1H3,(H2,25,29)(H,28,30) JOHPZDTZXLXEQE-UHFFFAOYSA-N 50569348 CHEMBL4856179 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759572 471059493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409633 CC1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(9-15-14(20(26)30-22)6-7-27-19(15)24)16-8-13(3-4-17(16)23)29-21(31)18-5-2-12(10-25)11-28-18/h2-8,11H,9H2,1H3,(H2,26,30)(H,29,31) RLVDCTMTAOERIM-UHFFFAOYSA-N 50569349 CHEMBL4865090 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759653 471059494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409634 CC1(Cc2c(F)cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(7-14-15(20(26)30-22)10-27-11-18(14)24)16-6-13(3-4-17(16)23)29-21(31)19-5-2-12(8-25)9-28-19/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31) CHSCSEXKGPIJCF-UHFFFAOYSA-N 50569350 CHEMBL4861687 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56968932 471059495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409635 CC1(Cc2cncc(F)c2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(7-13-10-27-11-17(24)19(13)20(26)30-22)15-6-14(3-4-16(15)23)29-21(31)18-5-2-12(8-25)9-28-18/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31) MFRDKERCXLYIAH-UHFFFAOYSA-N 50569351 CHEMBL4854848 Beta-secretase 1 Homo sapiens 118 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759631 471059496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409636 C[C@]1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(9-15-14(20(26)30-22)6-7-27-19(15)24)16-8-13(3-4-17(16)23)29-21(31)18-5-2-12(10-25)11-28-18/h2-8,11H,9H2,1H3,(H2,26,30)(H,29,31)/t22-/m0/s1 RLVDCTMTAOERIM-QFIPXVFZSA-N 50569352 CHEMBL4868952 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164619763 471059497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409637 CC1(Cc2cccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(10-14-3-2-8-26-19(14)20(25)29-22)16-9-15(5-6-17(16)23)28-21(30)18-7-4-13(11-24)12-27-18/h2-9,12H,10H2,1H3,(H2,25,29)(H,28,30) QIEFQYLCHKYOIE-UHFFFAOYSA-N 50569347 CHEMBL4878232 Beta-secretase 1 Homo sapiens 26 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569347&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759654 471059492 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409638 CC1(Cc2ccncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(9-14-6-7-26-12-16(14)20(25)29-22)17-8-15(3-4-18(17)23)28-21(30)19-5-2-13(10-24)11-27-19/h2-8,11-12H,9H2,1H3,(H2,25,29)(H,28,30) JKGKDTCSFLEUTI-UHFFFAOYSA-N 50569345 CHEMBL4876909 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569345&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56968931 471059490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409639 CC1(Cc2cnccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(9-14-12-26-7-6-16(14)20(25)29-22)17-8-15(3-4-18(17)23)28-21(30)19-5-2-13(10-24)11-27-19/h2-8,11-12H,9H2,1H3,(H2,25,29)(H,28,30) JOHPZDTZXLXEQE-UHFFFAOYSA-N 50569348 CHEMBL4856179 Beta-secretase 1 Homo sapiens 1.5 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759572 471059493 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409640 CC1(Cc2ncccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H17FN6O/c1-22(10-19-15(20(25)29-22)3-2-8-26-19)16-9-14(5-6-17(16)23)28-21(30)18-7-4-13(11-24)12-27-18/h2-9,12H,10H2,1H3,(H2,25,29)(H,28,30) UAMUKIYPLKMANJ-UHFFFAOYSA-N 50569346 CHEMBL4847576 Beta-secretase 1 Homo sapiens 4.1 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569346&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759630 471059491 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409641 CC1(Cc2c(F)cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(7-14-15(20(26)30-22)10-27-11-18(14)24)16-6-13(3-4-17(16)23)29-21(31)19-5-2-12(8-25)9-28-19/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31) CHSCSEXKGPIJCF-UHFFFAOYSA-N 50569350 CHEMBL4861687 Beta-secretase 1 Homo sapiens 0.250000 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569350&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 56968932 471059495 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409642 CC1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(9-15-14(20(26)30-22)6-7-27-19(15)24)16-8-13(3-4-17(16)23)29-21(31)18-5-2-12(10-25)11-28-18/h2-8,11H,9H2,1H3,(H2,26,30)(H,29,31) RLVDCTMTAOERIM-UHFFFAOYSA-N 50569349 CHEMBL4865090 Beta-secretase 1 Homo sapiens 0.360000 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569349&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759653 471059494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409643 CC1(Cc2cncc(F)c2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(7-13-10-27-11-17(24)19(13)20(26)30-22)15-6-14(3-4-16(15)23)29-21(31)18-5-2-12(8-25)9-28-18/h2-6,9-11H,7H2,1H3,(H2,26,30)(H,29,31) MFRDKERCXLYIAH-UHFFFAOYSA-N 50569351 CHEMBL4854848 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569351&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89759631 471059496 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51409644 C[C@]1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C22H16F2N6O/c1-22(9-15-14(20(26)30-22)6-7-27-19(15)24)16-8-13(3-4-17(16)23)29-21(31)18-5-2-12(10-25)11-28-18/h2-8,11H,9H2,1H3,(H2,26,30)(H,29,31)/t22-/m0/s1 RLVDCTMTAOERIM-QFIPXVFZSA-N 50569352 CHEMBL4868952 Beta-secretase 1 Homo sapiens 0.410000 ChEMBL 10.1016/j.ejmech.2021.113270 10.7270/Q21R6V8Q 33765486 Nakahara, K; Mitsuoka, Y; Kasuya, S; Yamamoto, T; Yamamoto, S; Ito, H; Kido, Y; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50569352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50569352&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164619763 471059497 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405655 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2ccccc2c1=O InChI=1S/C18H17FN4O3SSe/c1-18(10-27(25,26)22(2)17(20)21-18)13-9-11(7-8-14(13)19)23-16(24)12-5-3-4-6-15(12)28-23/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1 FJVCAGIZTCPEQF-SFHVURJKSA-N 50567943 CHEMBL4856599 Beta-secretase 1 Homo sapiens 1920 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567943&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164610286 471058088 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405656 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2cc(F)ccc2c1=O InChI=1S/C18H16F2N4O3SSe/c1-18(9-28(26,27)23(2)17(21)22-18)13-8-11(4-6-14(13)20)24-16(25)12-5-3-10(19)7-15(12)29-24/h3-8H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1 AADNZYVDYKLQBN-SFHVURJKSA-N 50567944 CHEMBL4874536 Beta-secretase 1 Homo sapiens 1060 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567944&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164626478 471058089 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405657 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2ccc(F)cc2c1=O InChI=1S/C18H16F2N4O3SSe/c1-18(9-28(26,27)23(2)17(21)22-18)13-8-11(4-5-14(13)20)24-16(25)12-7-10(19)3-6-15(12)29-24/h3-8H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1 GMLTXFZUNSAFAD-SFHVURJKSA-N 50567945 CHEMBL4848996 Beta-secretase 1 Homo sapiens 1950 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567945&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614917 471058090 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405658 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2cc(F)c(F)cc2c1=O InChI=1S/C18H15F3N4O3SSe/c1-18(8-29(27,28)24(2)17(22)23-18)11-5-9(3-4-12(11)19)25-16(26)10-6-13(20)14(21)7-15(10)30-25/h3-7H,8H2,1-2H3,(H2,22,23)/t18-/m0/s1 DDJYZAZIJJNTEU-SFHVURJKSA-N 50567946 CHEMBL4871409 Beta-secretase 1 Homo sapiens 1120 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567946&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164620701 471058091 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405659 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2ccc(cc2c1=O)C(F)(F)F InChI=1S/C19H16F4N4O3SSe/c1-18(9-31(29,30)26(2)17(24)25-18)13-8-11(4-5-14(13)20)27-16(28)12-7-10(19(21,22)23)3-6-15(12)32-27/h3-8H,9H2,1-2H3,(H2,24,25)/t18-/m0/s1 JICRTTZUUGSTFA-SFHVURJKSA-N 50567947 CHEMBL4862298 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567947&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164623967 471058092 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405660 COc1ccc2c(c1)[se]n(-c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1)c2=O InChI=1S/C19H19FN4O4SSe/c1-19(10-29(26,27)23(2)18(21)22-19)14-8-11(4-7-15(14)20)24-17(25)13-6-5-12(28-3)9-16(13)30-24/h4-9H,10H2,1-3H3,(H2,21,22)/t19-/m0/s1 SMMAPEIYNSWFNT-IBGZPJMESA-N 50567948 CHEMBL4873309 Beta-secretase 1 Homo sapiens 1550 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567948&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164623588 471058093 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405661 COc1ccc2[se]n(-c3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c(=O)c2c1 InChI=1S/C19H19FN4O4SSe/c1-19(10-29(26,27)23(2)18(21)22-19)14-8-11(4-6-15(14)20)24-17(25)13-9-12(28-3)5-7-16(13)30-24/h4-9H,10H2,1-3H3,(H2,21,22)/t19-/m0/s1 FYPJGHUYAYNBGP-IBGZPJMESA-N 50567949 CHEMBL4851556 Beta-secretase 1 Homo sapiens 1490 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567949&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164612193 471058094 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51405662 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 85 ChEMBL 10.1016/j.ejmech.2021.113441 10.7270/Q2XG9VXP 33862517 Qu, L; Ji, L; Wang, C; Luo, H; Li, S; Peng, W; Yin, F; Lu, D; Liu, X; Kong, L; Wang, X School of Traditional Chinese Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404593 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 MKQFGRIUTNJQSW-SFHVURJKSA-N 50501811 CHEMBL4535964 Beta-secretase 1 Homo sapiens 9.9 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25115954 440710396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404594 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VLLFGVHGKLDDLW-SFHVURJKSA-N 210070 US9270353, 17 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H3C 7DCZ 68254185 329586303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404595 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 QQOKHWYWSYNBSI-IBGZPJMESA-N 210091 US9270353, 50 Beta-secretase 1 Homo sapiens 9.1 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547856 329586318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404596 NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5OS/c19-10-18(5-6-27-17(22)25-18)13-7-12(2-3-14(13)20)24-16(26)15-4-1-11(8-21)9-23-15/h1-4,7,9H,5-6,10H2,(H2,22,25)(H,24,26)/t18-/m1/s1 PZRNJYQTIQFCMR-GOSISDBHSA-N 50567456 CHEMBL4865251 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624547 471057601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404597 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 IFZDIAKAFRXVOQ-SFHVURJKSA-N 116292 US8637504, 59::US9273053, 59::US9650371, 59 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254150 199996676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404598 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 ILCHBMXUEANZSX-KRWDZBQOSA-N 116301 US8637504, 76::US9273053, 76::US9650371, 76 Beta-secretase 1 Homo sapiens 39 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242161 199996685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404599 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 PRRHDZGJWFVLLQ-KRWDZBQOSA-N 116274 US8637504, 16::US9270353, 16::US9650371, 16 Beta-secretase 1 Homo sapiens 9.6 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44596001 199996658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404600 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C17H16FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 ZKYGEVYKGMFLJI-KRWDZBQOSA-N 210067 US9270353, 13 Beta-secretase 1 Homo sapiens 21 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547701 329586300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404601 COc1ccc(cc1)C1(C)CCSC(N)=N1 InChI=1S/C12H16N2OS/c1-12(7-8-16-11(13)14-12)9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,13,14) VKHSIJFRPDEMHV-UHFFFAOYSA-N 50432600 CHEMBL2347369 Beta-secretase 1 Homo sapiens 73300 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XK0 4BEK 12402626 164161475 CHEMBL2347369 ZINC39221106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404602 CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3 ILIUOAJYRLUFQV-UHFFFAOYSA-N 34542 US8546380, 220::US8633188, 220 Beta-secretase 1 Homo sapiens 1450 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627669 249738294 ZINC00246567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404603 C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-10(2-4-13(12)19)15(24)22-14-5-3-11(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1 CWUAHLMMBWNMDR-KRWDZBQOSA-N 50567457 CHEMBL4866376 Beta-secretase 1 Homo sapiens 6.7 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164625029 471057602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404604 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 MKQFGRIUTNJQSW-SFHVURJKSA-N 50501811 CHEMBL4535964 Beta-secretase 1 Homo sapiens 0.630000 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25115954 440710396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404605 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VLLFGVHGKLDDLW-SFHVURJKSA-N 210070 US9270353, 17 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H3C 7DCZ 68254185 329586303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404606 C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 QQOKHWYWSYNBSI-IBGZPJMESA-N 210091 US9270353, 50 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210091&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547856 329586318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404607 NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H15F2N5OS/c19-10-18(5-6-27-17(22)25-18)13-7-12(2-3-14(13)20)24-16(26)15-4-1-11(8-21)9-23-15/h1-4,7,9H,5-6,10H2,(H2,22,25)(H,24,26)/t18-/m1/s1 PZRNJYQTIQFCMR-GOSISDBHSA-N 50567456 CHEMBL4865251 Beta-secretase 1 Homo sapiens 0.620000 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624547 471057601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404608 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 IFZDIAKAFRXVOQ-SFHVURJKSA-N 116292 US8637504, 59::US9273053, 59::US9650371, 59 Beta-secretase 1 Homo sapiens 1.6 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116292&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68254150 199996676 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404609 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 ILCHBMXUEANZSX-KRWDZBQOSA-N 116301 US8637504, 76::US9273053, 76::US9650371, 76 Beta-secretase 1 Homo sapiens 4.2 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242161 199996685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404610 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 PRRHDZGJWFVLLQ-KRWDZBQOSA-N 116274 US8637504, 16::US9270353, 16::US9650371, 16 Beta-secretase 1 Homo sapiens 5.5 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116274&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44596001 199996658 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404611 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 InChI=1S/C17H16FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1 ZKYGEVYKGMFLJI-KRWDZBQOSA-N 210067 US9270353, 13 Beta-secretase 1 Homo sapiens 4.4 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44547701 329586300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404612 COc1ccc(cc1)C1(C)CCSC(N)=N1 InChI=1S/C12H16N2OS/c1-12(7-8-16-11(13)14-12)9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,13,14) VKHSIJFRPDEMHV-UHFFFAOYSA-N 50432600 CHEMBL2347369 Beta-secretase 1 Homo sapiens 2630 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432600&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search XK0 4BEK 12402626 164161475 CHEMBL2347369 ZINC39221106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404613 CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3 ILIUOAJYRLUFQV-UHFFFAOYSA-N 34542 US8546380, 220::US8633188, 220 Beta-secretase 1 Homo sapiens 170 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57627669 249738294 ZINC00246567 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51404614 C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-10(2-4-13(12)19)15(24)22-14-5-3-11(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1 CWUAHLMMBWNMDR-KRWDZBQOSA-N 50567457 CHEMBL4866376 Beta-secretase 1 Homo sapiens 0.840000 ChEMBL 10.1021/acs.jmedchem.0c01917 10.7270/Q2445R8T 33588527 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50567457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50567457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164625029 471057602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412147 C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H16FN5O2/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 ZTXUJRWOHXVUAT-SFHVURJKSA-N 50432609 CHEMBL2347203::US8999980, I-6 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50432609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50432609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1H8 4J0P 53241445 164161484 CHEMBL2347203 ZINC95603574 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412148 CC#C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16FN5O2/c1-2-7-20(8-9-28-19(23)26-20)15-10-14(4-5-16(15)21)25-18(27)17-6-3-13(11-22)12-24-17/h3-6,10,12H,8-9H2,1H3,(H2,23,26)(H,25,27)/t20-/m0/s1 DWCWSXLKLMTBSD-FQEVSTJZSA-N 50570457 CHEMBL4852444 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570457&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search GTU 7D2X 118399583 471060602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412149 CC#C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H17F2N5O3/c1-2-5-19(6-7-28-18(22)26-19)13-8-12(3-4-14(13)21)25-17(27)15-9-24-16(10-23-15)29-11-20/h3-4,8-10H,6-7,11H2,1H3,(H2,22,26)(H,25,27)/t19-/m0/s1 MNKVSGDGUFQFGH-IBGZPJMESA-N 50570458 CHEMBL4856391 Beta-secretase 1 Homo sapiens 145 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164612395 471060603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412150 CC#C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H16F3N5O3/c1-2-5-19(15(22)9-29-18(23)27-19)12-6-11(3-4-13(12)21)26-17(28)14-7-25-16(8-24-14)30-10-20/h3-4,6-8,15H,9-10H2,1H3,(H2,23,27)(H,26,28)/t15-,19+/m0/s1 FHQZFPFZPQDYFM-HNAYVOBHSA-N 50570459 CHEMBL4864591 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624950 471060604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412151 CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H19F4N5O3/c1-2-5-22(20(9-21(25,26)10-20)11-33-19(27)31-22)14-6-13(3-4-15(14)24)30-18(32)16-7-29-17(8-28-16)34-12-23/h3-4,6-8H,9-12H2,1H3,(H2,27,31)(H,30,32)/t22-/m1/s1 UKEKFCISVPCTHV-JOCHJYFZSA-N 50570460 CHEMBL4854629 Beta-secretase 1 Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617477 471060605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412152 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 47353 BDBM143220::US9029362, 173::US9687494, 25 Beta-secretase 1 Homo sapiens 1.9 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47353&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1484169 24824350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412159 CC#C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H17F2N5O3/c1-2-5-19(6-7-28-18(22)26-19)13-8-12(3-4-14(13)21)25-17(27)15-9-24-16(10-23-15)29-11-20/h3-4,8-10H,6-7,11H2,1H3,(H2,22,26)(H,25,27)/t19-/m0/s1 MNKVSGDGUFQFGH-IBGZPJMESA-N 50570458 CHEMBL4856391 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164612395 471060603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412160 CC#C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C19H16F3N5O3/c1-2-5-19(15(22)9-29-18(23)27-19)12-6-11(3-4-13(12)21)26-17(28)14-7-25-16(8-24-14)30-10-20/h3-4,6-8,15H,9-10H2,1H3,(H2,23,27)(H,26,28)/t15-,19+/m0/s1 FHQZFPFZPQDYFM-HNAYVOBHSA-N 50570459 CHEMBL4864591 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624950 471060604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412161 CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H19F4N5O3/c1-2-5-22(20(9-21(25,26)10-20)11-33-19(27)31-22)14-6-13(3-4-15(14)24)30-18(32)16-7-29-17(8-28-16)34-12-23/h3-4,6-8H,9-12H2,1H3,(H2,27,31)(H,30,32)/t22-/m1/s1 UKEKFCISVPCTHV-JOCHJYFZSA-N 50570460 CHEMBL4854629 Beta-secretase 1 Homo sapiens 6.9 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617477 471060605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412163 CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H19F4N5O3/c1-2-5-22(20(9-21(25,26)10-20)11-33-19(27)31-22)14-6-13(3-4-15(14)24)30-18(32)16-7-29-17(8-28-16)34-12-23/h3-4,6-8H,9-12H2,1H3,(H2,27,31)(H,30,32)/t22-/m1/s1 UKEKFCISVPCTHV-JOCHJYFZSA-N 50570460 CHEMBL4854629 Beta-secretase 1 Homo sapiens 3.5 ChEMBL 10.1021/acs.jmedchem.0c01858 10.7270/Q2GH9NQT 33719429 Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617477 471060605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412466 CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1 InChI=1S/C35H42N2O/c1-27(2)32-20-12-15-29(23-32)25-36-26-35(38)34(24-28-13-6-3-7-14-28)37-22-21-33(30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-20,23,27,33-38H,21-22,24-26H2,1-2H3/t34-,35+/m0/s1 WRNDRGCONGZDSY-OIDHKYIRSA-N 50570578 CHEMBL4861746 Beta-secretase 1 Homo sapiens 6600 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570578&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164611490 471060723 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412467 CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1 InChI=1S/C29H38N2O/c1-29(2,3)26-16-10-11-23(19-26)20-31-22-27(32)21-30-18-17-28(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-16,19,27-28,30-32H,17-18,20-22H2,1-3H3 QEVPSMYJQDNACG-UHFFFAOYSA-N 50570584 CHEMBL4860825 Beta-secretase 1 Homo sapiens 41600 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154701599 471060729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412468 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 46 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412469 O[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 InChI=1S/C32H34N2O2/c35-31(24-33-23-26-15-7-2-8-16-26)30(21-25-13-5-1-6-14-25)34-32(36)22-29(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33,35H,21-24H2,(H,34,36)/t30-,31+/m0/s1 YOQXSWBHQDKMDY-IOWSJCHKSA-N 50570587 CHEMBL4869613 Beta-secretase 1 Homo sapiens 35400 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164623843 471060732 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412470 O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 InChI=1S/C32H34N2O2/c35-31(24-33-23-26-15-7-2-8-16-26)30(21-25-13-5-1-6-14-25)34-32(36)22-29(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33,35H,21-24H2,(H,34,36)/t30-,31-/m0/s1 YOQXSWBHQDKMDY-CONSDPRKSA-N 50570588 CHEMBL4845832 Beta-secretase 1 Homo sapiens 17400 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570588&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164609475 471060733 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412471 COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 InChI=1S/C33H36N2O3/c1-38-32-20-12-11-19-28(32)23-34-24-31(36)30(21-25-13-5-2-6-14-25)35-33(37)22-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20,29-31,34,36H,21-24H2,1H3,(H,35,37)/t30-,31-/m0/s1 WOKVMEHUXJOESF-CONSDPRKSA-N 50570590 CHEMBL4847981 Beta-secretase 1 Homo sapiens 23400 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570590&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617714 471060735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412472 CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 InChI=1S/C35H40N2O2/c1-35(2,3)30-21-13-16-27(22-30)24-36-25-32(38)31(23-26-14-7-4-8-15-26)37-34(39)33(28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31-,32+/m0/s1 FDZZTBAHBJUANF-AJQTZOPKSA-N 50570570 CHEMBL4874266 Beta-secretase 1 Homo sapiens 5900 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164628439 471060715 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412473 CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1 InChI=1S/C36H42N2O2/c1-36(2,3)31-21-13-16-28(22-31)25-37-26-34(39)33(23-27-14-7-4-8-15-27)38-35(40)24-32(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-22,32-34,37,39H,23-26H2,1-3H3,(H,38,40)/t33-,34+/m0/s1 AEWDEIZUNAQJFJ-SZAHLOSFSA-N 50570593 CHEMBL4858894 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164615921 471060738 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412474 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 InChI=1S/C34H38N2O2/c1-25(2)30-20-12-15-27(21-30)23-35-24-32(37)31(22-26-13-6-3-7-14-26)36-34(38)33(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-21,25,31-33,35,37H,22-24H2,1-2H3,(H,36,38)/t31-,32-/m0/s1 JNNOQIIIKZZGMK-ACHIHNKUSA-N 50570594 CHEMBL4868077 Beta-secretase 1 Homo sapiens 3400 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164620211 471060739 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412475 CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1 InChI=1S/C35H40N2O2/c1-26(2)31-20-12-15-28(21-31)24-36-25-34(38)33(22-27-13-6-3-7-14-27)37-35(39)23-32(29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-21,26,32-34,36,38H,22-25H2,1-2H3,(H,37,39)/t33-,34+/m0/s1 FSNRTXIQLFBFDM-SZAHLOSFSA-N 50570595 CHEMBL4876288 Beta-secretase 1 Homo sapiens 4600 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570595&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164627701 471060740 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412476 O[C@@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 InChI=1S/C32H31F3N2O2/c33-32(34,35)27-18-10-13-24(19-27)21-36-22-29(38)28(20-23-11-4-1-5-12-23)37-31(39)30(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,28-30,36,38H,20-22H2,(H,37,39)/t28-,29-/m0/s1 TVGSEUZKRHWEAC-VMPREFPWSA-N 50570596 CHEMBL4856694 Beta-secretase 1 Homo sapiens 8600 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570596&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614126 471060741 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412477 O[C@@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 InChI=1S/C33H33F3N2O2/c34-33(35,36)28-18-10-13-25(19-28)22-37-23-31(39)30(20-24-11-4-1-5-12-24)38-32(40)21-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-19,29-31,37,39H,20-23H2,(H,38,40)/t30-,31-/m0/s1 MQPYDZXCIAJBEU-CONSDPRKSA-N 50570608 CHEMBL4877574 Beta-secretase 1 Homo sapiens 8300 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570608&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164629177 471060753 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412478 CC(C)(C)c1ccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 InChI=1S/C35H40N2O2/c1-35(2,3)30-21-19-27(20-22-30)24-36-25-32(38)31(23-26-13-7-4-8-14-26)37-34(39)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)/t31-,32-/m0/s1 HIHITZUYLBWQEI-ACHIHNKUSA-N 50570597 CHEMBL4857933 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570597&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164610907 471060742 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412479 CC(C)(C)c1ccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 InChI=1S/C36H42N2O2/c1-36(2,3)31-21-19-28(20-22-31)25-37-26-34(39)33(23-27-13-7-4-8-14-27)38-35(40)24-32(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,32-34,37,39H,23-26H2,1-3H3,(H,38,40)/t33-,34+/m0/s1 APFPMBCRUQDCQZ-SZAHLOSFSA-N 50570598 CHEMBL4851448 Beta-secretase 1 Homo sapiens 6200 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617334 471060743 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412480 CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 InChI=1S/C34H38N2O2/c1-34(2,29-21-13-6-14-22-29)35-25-32(37)31(23-26-15-7-3-8-16-26)36-33(38)24-30(27-17-9-4-10-18-27)28-19-11-5-12-20-28/h3-22,30-32,35,37H,23-25H2,1-2H3,(H,36,38)/t31-,32+/m0/s1 LUGJCZXQWVGSMN-AJQTZOPKSA-N 50570601 CHEMBL4873410 Beta-secretase 1 Homo sapiens 8900 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164625351 471060746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412481 CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 InChI=1S/C30H38N2O2/c1-30(2,3)22-31-21-28(33)27(19-23-13-7-4-8-14-23)32-29(34)20-26(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-28,31,33H,19-22H2,1-3H3,(H,32,34)/t27-,28+/m0/s1 ANNGDRKIZUKLFR-WUFINQPMSA-N 50570605 CHEMBL4860617 Beta-secretase 1 Homo sapiens 33600 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570605&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614314 471060750 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51412482 O[C@H](CNCC(F)(F)F)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 InChI=1S/C26H27F3N2O2/c27-26(28,29)18-30-17-23(32)22(16-19-10-4-1-5-11-19)31-25(33)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,30,32H,16-18H2,(H,31,33)/t22-,23+/m0/s1 LXJSMSLHNIPOJS-XZOQPEGZSA-N 50570609 CHEMBL4857355 Beta-secretase 1 Homo sapiens 15400 ChEMBL 10.1016/j.ejmech.2021.113397 10.7270/Q29S1VTT 33838585 Pasieka, A; Panek, D; Jończyk, J; Godyń, J; Szałaj, N; Latacz, G; Tabor, J; Mezeiova, E; Chantegreil, F; Dias, J; Knez, D; Lu, J; Pi, R; Korabecny, J; Brazzolotto, X; Gobec, S; Höfner, G; Wanner, K; Więckowska, A; Malawska, B Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570609&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164611410 471060754 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428641 COc1c(O)c(O)c(C(O)=O)c(C)c1C\C=C(/C)CC\C=C(/C)CCC=C(C)C InChI=1S/C24H34O5/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-19-18(5)20(24(27)28)21(25)22(26)23(19)29-6/h9,11,13,25-26H,7-8,10,12,14H2,1-6H3,(H,27,28)/b16-11+,17-13+ QMJDNXAGYSATCV-IUBLYSDUSA-N 50577137 CHEMBL4845912 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577137&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164609071 471053260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428642 COC(=O)c1c(C)cc(O)c(C\C=C(/C)CCCC2=C\C(OC2=O)=C/C(C)(C)O)c1O InChI=1S/C24H30O7/c1-14(7-6-8-16-12-17(31-22(16)27)13-24(3,4)29)9-10-18-19(25)11-15(2)20(21(18)26)23(28)30-5/h9,11-13,25-26,29H,6-8,10H2,1-5H3/b14-9+,17-13+ LGMYKTHBAQWEFG-IZLFASKTSA-N 50577138 CHEMBL4847749 Beta-secretase 1 Homo sapiens 10900 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577138&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614869 471053261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428643 C\C(CCCC1=C\C(OC1=O)=C/C(C)(C)O)=C/Cc1c(O)cc(C)c(C(O)=O)c1O InChI=1S/C23H28O7/c1-13(6-5-7-15-11-16(30-22(15)28)12-23(3,4)29)8-9-17-18(24)10-14(2)19(20(17)25)21(26)27/h8,10-12,24-25,29H,5-7,9H2,1-4H3,(H,26,27)/b13-8+,16-12+ VFPRFCPQXQJWDW-IWHVMJOVSA-N 50577139 CHEMBL4846858 Beta-secretase 1 Homo sapiens 10500 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577139&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164608766 471053262 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428644 C\C(CC[C@H](O)C(C)(C)O)=C/CC\C(C)=C\Cc1c(O)cc(C)c(C(O)=O)c1O InChI=1S/C23H34O6/c1-14(7-6-8-15(2)10-12-19(25)23(4,5)29)9-11-17-18(24)13-16(3)20(21(17)26)22(27)28/h8-9,13,19,24-26,29H,6-7,10-12H2,1-5H3,(H,27,28)/b14-9+,15-8+/t19-/m0/s1 CWSUETWLMHLISD-LHDPSMIPSA-N 50577140 CHEMBL4871044 Beta-secretase 1 Homo sapiens 34400 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577140&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624719 471053263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428645 CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)cc(C)cc1O InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-21(23)14-19(5)15-22(20)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ PZHNKNRPGLTZPO-VZRGJMDUSA-N 50458916 Grifolin Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458916&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5372312 433926181 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428646 CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)cc(C)c(C(O)=O)c1O InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-20(24)14-18(5)21(22(19)25)23(26)27/h8,10,12,14,24-25H,6-7,9,11,13H2,1-5H3,(H,26,27)/b16-10+,17-12+ QPIZDZGIXDKCRC-JTCWOHKRSA-N 50537951 Grifolic Acid Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50537951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50537951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9976563 442139514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428647 COC(=O)c1c(C)c(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(OC)c(O)c1O InChI=1S/C25H36O5/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25(28)30-7)22(26)23(27)24(20)29-6/h10,12,14,26-27H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+ NMDWDFBTNAGBIV-NXGXIAAHSA-N 50577141 CHEMBL4877566 Beta-secretase 1 Homo sapiens >100000 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577141&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164629172 471053264 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428648 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N 15236 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one::3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one::CHEMBL164::Cannabiscetin::Myricetin::Myricetin (20)::Myricetin (Myr)::cid_5281672 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MYC 3HBF,7DPP,2IOD,5YUN,6M88,5HXC,7B3E,1E90,4GQR,7ELW,5XI1,6TTC,3C1T,2O63,7E49 5281672 46515543 18152 CHEMBL164 DB02375 C10107 ZINC03874317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51428649 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jnatprod.0c01329 10.7270/Q2708571 34100599 Masuda, Y; Fujihara, K; Hayashi, S; Sasaki, H; Kino, Y; Kamauchi, H; Noji, M; Satoh, JI; Takanami, T; Kinoshita, K; Koyama, K Meiji Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431212 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(O)C(C)Nc1ccc(C)cc1 InChI=1S/C31H50N6O8/c1-16(2)14-23(28(42)19(6)33-21-10-8-18(5)9-11-21)35-30(44)24(15-25(32)39)36-31(45)27(17(3)4)37-29(43)22(34-20(7)38)12-13-26(40)41/h8-11,16-17,19,22-24,27-28,33,42H,12-15H2,1-7H3,(H2,32,39)(H,34,38)(H,35,44)(H,36,45)(H,37,43)(H,40,41)/t19?,22-,23-,24-,27-,28?/m0/s1 ROFIGJOQOUHVEK-HANJPJGVSA-N 50578230 CHEMBL4849944 Beta-secretase 1 Homo sapiens 55000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578230&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122396883 471054353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431213 CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H45N5O9S2/c1-4-8-21(31(44)45)33-30(43)26(39)22(15-18-9-6-13-46-18)34-28(41)23(16-19-10-7-14-47-19)35-29(42)25(17(3)5-2)36-27(40)20(32)11-12-24(37)38/h6-7,9-10,13-14,17,20-23,25-26,39H,4-5,8,11-12,15-16,32H2,1-3H3,(H,33,43)(H,34,41)(H,35,42)(H,36,40)(H,37,38)(H,44,45)/t17-,20-,21-,22-,23-,25-,26+/m0/s1 RNIFVMRORLIQKP-YLSRMWDOSA-N 50110911 CHEMBL3604595 Beta-secretase 1 Homo sapiens 26000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110911&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91824261 319493327 CHEMBL3604595 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431214 CCC[C@H](NC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C30H49N5O9S/c1-6-9-20(30(43)44)32-29(42)25(38)21(14-16(3)4)33-27(40)22(15-18-10-8-13-45-18)34-28(41)24(17(5)7-2)35-26(39)19(31)11-12-23(36)37/h8,10,13,16-17,19-22,24-25,38H,6-7,9,11-12,14-15,31H2,1-5H3,(H,32,42)(H,33,40)(H,34,41)(H,35,39)(H,36,37)(H,43,44)/t17-,19-,20-,21-,22-,24-,25+/m0/s1 GZNCMJDXTIUUJQ-OYFMYTKGSA-N 50110910 CHEMBL3604596 Beta-secretase 1 Homo sapiens 56000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110910&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185859 319493326 CHEMBL3604596 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431215 CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C33H53N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h9,13,16,19-20,22-25,27-28,41H,4-8,10-12,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28+/m0/s1 RHVUALANAPWYEJ-NNPJTBSKSA-N 50110909 CHEMBL3604597 Beta-secretase 1 Homo sapiens 64000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110909&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185860 319493325 CHEMBL3604597 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431216 CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C33H47N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h6-9,11-13,16,19,22-25,27-28,41H,4-5,10,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28+/m0/s1 OOQLTRRICPBYAD-NNPJTBSKSA-N 50110908 CHEMBL3604598 Beta-secretase 1 Homo sapiens 34000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110908&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122185861 319493324 CHEMBL3604598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431217 CCC[C@H](NC[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C31H47N5O8S2/c1-4-8-22(31(43)44)33-17-25(37)23(15-19-9-6-13-45-19)34-29(41)24(16-20-10-7-14-46-20)35-30(42)27(18(3)5-2)36-28(40)21(32)11-12-26(38)39/h6-7,9-10,13-14,18,21-25,27,33,37H,4-5,8,11-12,15-17,32H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,38,39)(H,43,44)/t18-,21-,22-,23-,24-,25+,27-/m0/s1 FDCIHHBJRPHRAO-DZUHKJHCSA-N 50110899 CHEMBL3604697 Beta-secretase 1 Homo sapiens 9400 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91809483 319493315 CHEMBL3604697 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431218 CCC[C@H](NC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O InChI=1S/C30H51N5O8S/c1-6-9-21(30(42)43)32-16-24(36)22(14-17(3)4)33-28(40)23(15-19-10-8-13-44-19)34-29(41)26(18(5)7-2)35-27(39)20(31)11-12-25(37)38/h8,10,13,17-18,20-24,26,32,36H,6-7,9,11-12,14-16,31H2,1-5H3,(H,33,40)(H,34,41)(H,35,39)(H,37,38)(H,42,43)/t18-,20-,21-,22-,23-,24+,26-/m0/s1 DJNGMVFMQCYAIT-FGDAERKFSA-N 50110898 CHEMBL3604698 Beta-secretase 1 Homo sapiens 72000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91809482 319493314 CHEMBL3604698 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431219 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H](C)Nc1ccc(C)cc1 InChI=1S/C33H51N5O6S/c1-7-21(5)29(38-31(42)25(34)14-15-28(39)40)33(44)37-27(18-24-9-8-16-45-24)32(43)36-26(17-19(2)3)30(41)22(6)35-23-12-10-20(4)11-13-23/h8-13,16,19,21-22,25-27,29-30,35,41H,7,14-15,17-18,34H2,1-6H3,(H,36,43)(H,37,44)(H,38,42)(H,39,40)/t21-,22+,25-,26-,27-,29-,30-/m0/s1 ODOHXZJJGIWTBG-GENGZILNSA-N 50578231 CHEMBL4874674 Beta-secretase 1 Homo sapiens 813000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578231&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 102127475 471054354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431220 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@H](C)Nc1ccc(C)cc1 InChI=1S/C33H51N5O6S/c1-7-21(5)29(38-31(42)25(34)14-15-28(39)40)33(44)37-27(18-24-9-8-16-45-24)32(43)36-26(17-19(2)3)30(41)22(6)35-23-12-10-20(4)11-13-23/h8-13,16,19,21-22,25-27,29-30,35,41H,7,14-15,17-18,34H2,1-6H3,(H,36,43)(H,37,44)(H,38,42)(H,39,40)/t21-,22-,25-,26-,27-,29-,30-/m0/s1 ODOHXZJJGIWTBG-PIQNYBPMSA-N 50578232 CHEMBL4861075 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578232&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614802 471054355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431221 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CNc1ccc(C)cc1 InChI=1S/C32H49N5O6S/c1-6-21(5)29(37-30(41)24(33)13-14-28(39)40)32(43)36-26(17-23-8-7-15-44-23)31(42)35-25(16-19(2)3)27(38)18-34-22-11-9-20(4)10-12-22/h7-12,15,19,21,24-27,29,34,38H,6,13-14,16-18,33H2,1-5H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)/t21-,24-,25-,26-,27-,29-/m0/s1 XUEDEUXLNHZIKZ-JSDGYEMZSA-N 50578233 CHEMBL4855002 Beta-secretase 1 Homo sapiens 92000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578233&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 102127473 471054356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431222 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)[C@@H](C)Nc1ccc(C)cc1 InChI=1S/C33H51N5O6S/c1-7-21(5)29(38-31(42)25(34)14-15-28(39)40)33(44)37-27(18-24-9-8-16-45-24)32(43)36-26(17-19(2)3)30(41)22(6)35-23-12-10-20(4)11-13-23/h8-13,16,19,21-22,25-27,29-30,35,41H,7,14-15,17-18,34H2,1-6H3,(H,36,43)(H,37,44)(H,38,42)(H,39,40)/t21-,22+,25-,26-,27-,29-,30+/m0/s1 ODOHXZJJGIWTBG-IWOBCLMRSA-N 50578234 CHEMBL4857065 Beta-secretase 1 Homo sapiens 31000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578234&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 102127474 471054357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431223 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)[C@H](C)Nc1ccc(C)cc1 InChI=1S/C33H51N5O6S/c1-7-21(5)29(38-31(42)25(34)14-15-28(39)40)33(44)37-27(18-24-9-8-16-45-24)32(43)36-26(17-19(2)3)30(41)22(6)35-23-12-10-20(4)11-13-23/h8-13,16,19,21-22,25-27,29-30,35,41H,7,14-15,17-18,34H2,1-6H3,(H,36,43)(H,37,44)(H,38,42)(H,39,40)/t21-,22-,25-,26-,27-,29-,30+/m0/s1 ODOHXZJJGIWTBG-ICKKYPQWSA-N 50578235 CHEMBL4859851 Beta-secretase 1 Homo sapiens >2000000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578235&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 122396884 471054358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431224 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C32H49N5O6S/c1-6-21(5)29(37-30(41)24(33)13-14-28(39)40)32(43)36-26(17-23-8-7-15-44-23)31(42)35-25(16-19(2)3)27(38)18-34-22-11-9-20(4)10-12-22/h7-12,15,19,21,24-27,29,34,38H,6,13-14,16-18,33H2,1-5H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)/t21-,24-,25-,26-,27+,29-/m0/s1 XUEDEUXLNHZIKZ-AAMRELFESA-N 50578236 CHEMBL4852055 Beta-secretase 1 Homo sapiens 4000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 102127472 471054359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431225 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccccc1 InChI=1S/C31H47N5O6S/c1-5-20(4)28(36-29(40)23(32)13-14-27(38)39)31(42)35-25(17-22-12-9-15-43-22)30(41)34-24(16-19(2)3)26(37)18-33-21-10-7-6-8-11-21/h6-12,15,19-20,23-26,28,33,37H,5,13-14,16-18,32H2,1-4H3,(H,34,41)(H,35,42)(H,36,40)(H,38,39)/t20-,23-,24-,25-,26+,28-/m0/s1 CPKMEWKRROFVKM-RAAIGAAGSA-N 50578237 CHEMBL4876495 Beta-secretase 1 Homo sapiens 8800 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578237&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164627995 471054360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431226 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CC(C)C)cc1 InChI=1S/C35H55N5O6S/c1-7-23(6)32(40-33(44)27(36)14-15-31(42)43)35(46)39-29(19-26-9-8-16-47-26)34(45)38-28(18-22(4)5)30(41)20-37-25-12-10-24(11-13-25)17-21(2)3/h8-13,16,21-23,27-30,32,37,41H,7,14-15,17-20,36H2,1-6H3,(H,38,45)(H,39,46)(H,40,44)(H,42,43)/t23-,27-,28-,29-,30+,32-/m0/s1 LJDQOTIHOMBSAP-NJZGUUJFSA-N 50578238 CHEMBL4874363 Beta-secretase 1 Homo sapiens 5100 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578238&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164626751 471054361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431227 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C1CCCC1 InChI=1S/C36H55N5O6S/c1-5-23(4)33(41-34(45)28(37)16-17-32(43)44)36(47)40-30(20-27-11-8-18-48-27)35(46)39-29(19-22(2)3)31(42)21-38-26-14-12-25(13-15-26)24-9-6-7-10-24/h8,11-15,18,22-24,28-31,33,38,42H,5-7,9-10,16-17,19-21,37H2,1-4H3,(H,39,46)(H,40,47)(H,41,45)(H,43,44)/t23-,28-,29-,30-,31+,33-/m0/s1 ZRVCTSBBSMEKKP-ODVOAZLPSA-N 50578239 CHEMBL4851168 Beta-secretase 1 Homo sapiens 6500 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578239&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617839 471054362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431228 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(C)(C)C InChI=1S/C35H55N5O6S/c1-8-22(4)31(40-32(44)26(36)15-16-30(42)43)34(46)39-28(19-25-10-9-17-47-25)33(45)38-27(18-21(2)3)29(41)20-37-24-13-11-23(12-14-24)35(5,6)7/h9-14,17,21-22,26-29,31,37,41H,8,15-16,18-20,36H2,1-7H3,(H,38,45)(H,39,46)(H,40,44)(H,42,43)/t22-,26-,27-,28-,29+,31-/m0/s1 ICJLVEDZUWXKMG-JLFJFYKSSA-N 50578240 CHEMBL4879047 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164626076 471054363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431229 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(F)(F)F InChI=1S/C32H46F3N5O6S/c1-5-19(4)28(40-29(44)23(36)12-13-27(42)43)31(46)39-25(16-22-7-6-14-47-22)30(45)38-24(15-18(2)3)26(41)17-37-21-10-8-20(9-11-21)32(33,34)35/h6-11,14,18-19,23-26,28,37,41H,5,12-13,15-17,36H2,1-4H3,(H,38,45)(H,39,46)(H,40,44)(H,42,43)/t19-,23-,24-,25-,26+,28-/m0/s1 DOHUPASWSZQNJO-ZEOIWUETSA-N 50578241 CHEMBL4848778 Beta-secretase 1 Homo sapiens 176000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578241&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617236 471054364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431230 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(O)=O InChI=1S/C32H47N5O8S/c1-5-19(4)28(37-29(41)23(33)12-13-27(39)40)31(43)36-25(16-22-7-6-14-46-22)30(42)35-24(15-18(2)3)26(38)17-34-21-10-8-20(9-11-21)32(44)45/h6-11,14,18-19,23-26,28,34,38H,5,12-13,15-17,33H2,1-4H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)(H,44,45)/t19-,23-,24-,25-,26+,28-/m0/s1 HDQLIPWMAUVTNL-ZEOIWUETSA-N 50578242 CHEMBL4867976 Beta-secretase 1 Homo sapiens 33000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578242&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164622804 471054365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431231 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CC(O)=O)cc1 InChI=1S/C33H49N5O8S/c1-5-20(4)30(38-31(44)24(34)12-13-28(40)41)33(46)37-26(17-23-7-6-14-47-23)32(45)36-25(15-19(2)3)27(39)18-35-22-10-8-21(9-11-22)16-29(42)43/h6-11,14,19-20,24-27,30,35,39H,5,12-13,15-18,34H2,1-4H3,(H,36,45)(H,37,46)(H,38,44)(H,40,41)(H,42,43)/t20-,24-,25-,26-,27+,30-/m0/s1 OQWGJQLSGPHRFH-HARCJINFSA-N 50578243 CHEMBL4846642 Beta-secretase 1 Homo sapiens 430 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 163322646 471054366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431232 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CCC(O)=O)cc1 InChI=1S/C34H51N5O8S/c1-5-21(4)31(39-32(45)25(35)13-15-30(43)44)34(47)38-27(18-24-7-6-16-48-24)33(46)37-26(17-20(2)3)28(40)19-36-23-11-8-22(9-12-23)10-14-29(41)42/h6-9,11-12,16,20-21,25-28,31,36,40H,5,10,13-15,17-19,35H2,1-4H3,(H,37,46)(H,38,47)(H,39,45)(H,41,42)(H,43,44)/t21-,25-,26-,27-,28+,31-/m0/s1 QQMRRVVMNQPPEI-WZFTTZIHSA-N 50578244 CHEMBL4850554 Beta-secretase 1 Homo sapiens 1400 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614995 471054367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431233 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(C)C(O)=O InChI=1S/C34H51N5O8S/c1-6-20(4)30(39-31(43)25(35)13-14-29(41)42)33(45)38-27(17-24-8-7-15-48-24)32(44)37-26(16-19(2)3)28(40)18-36-23-11-9-22(10-12-23)21(5)34(46)47/h7-12,15,19-21,25-28,30,36,40H,6,13-14,16-18,35H2,1-5H3,(H,37,44)(H,38,45)(H,39,43)(H,41,42)(H,46,47)/t20-,21?,25-,26-,27-,28+,30-/m0/s1 BYKJWWXJELUVCC-VOWOISSNSA-N 50578245 CHEMBL4857564 Beta-secretase 1 Homo sapiens 590 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164610894 471054368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431234 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(C)(C)C(O)=O InChI=1S/C35H53N5O8S/c1-7-21(4)30(40-31(44)25(36)14-15-29(42)43)33(46)39-27(18-24-9-8-16-49-24)32(45)38-26(17-20(2)3)28(41)19-37-23-12-10-22(11-13-23)35(5,6)34(47)48/h8-13,16,20-21,25-28,30,37,41H,7,14-15,17-19,36H2,1-6H3,(H,38,45)(H,39,46)(H,40,44)(H,42,43)(H,47,48)/t21-,25-,26-,27-,28+,30-/m0/s1 DEEPXWSCXVEGKU-BRCBRZHNSA-N 50578246 CHEMBL4859258 Beta-secretase 1 Homo sapiens 720 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164615975 471054369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431235 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(C)c1 InChI=1S/C32H49N5O6S/c1-6-21(5)29(37-30(41)24(33)12-13-28(39)40)32(43)36-26(17-23-11-8-14-44-23)31(42)35-25(15-19(2)3)27(38)18-34-22-10-7-9-20(4)16-22/h7-11,14,16,19,21,24-27,29,34,38H,6,12-13,15,17-18,33H2,1-5H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)/t21-,24-,25-,26-,27+,29-/m0/s1 ZJYJTOFALYACMV-AAMRELFESA-N 50578247 CHEMBL4874621 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164628631 471054370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431236 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(c1)C(O)=O InChI=1S/C32H47N5O8S/c1-5-19(4)28(37-29(41)23(33)11-12-27(39)40)31(43)36-25(16-22-10-7-13-46-22)30(42)35-24(14-18(2)3)26(38)17-34-21-9-6-8-20(15-21)32(44)45/h6-10,13,15,18-19,23-26,28,34,38H,5,11-12,14,16-17,33H2,1-4H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)(H,44,45)/t19-,23-,24-,25-,26+,28-/m0/s1 PMLUOSPYABXKTL-ZEOIWUETSA-N 50578248 CHEMBL4865499 Beta-secretase 1 Homo sapiens 5600 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624080 471054371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431237 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(CC(O)=O)c1 InChI=1S/C33H49N5O8S/c1-5-20(4)30(38-31(44)24(34)11-12-28(40)41)33(46)37-26(17-23-10-7-13-47-23)32(45)36-25(14-19(2)3)27(39)18-35-22-9-6-8-21(15-22)16-29(42)43/h6-10,13,15,19-20,24-27,30,35,39H,5,11-12,14,16-18,34H2,1-4H3,(H,36,45)(H,37,46)(H,38,44)(H,40,41)(H,42,43)/t20-,24-,25-,26-,27+,30-/m0/s1 ANZWDZCQSKZTPF-HARCJINFSA-N 50578249 CHEMBL4848236 Beta-secretase 1 Homo sapiens 2500 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164616631 471054372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431238 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(c1)C(=O)OC InChI=1S/C33H49N5O8S/c1-6-20(4)29(38-30(42)24(34)12-13-28(40)41)32(44)37-26(17-23-11-8-14-47-23)31(43)36-25(15-19(2)3)27(39)18-35-22-10-7-9-21(16-22)33(45)46-5/h7-11,14,16,19-20,24-27,29,35,39H,6,12-13,15,17-18,34H2,1-5H3,(H,36,43)(H,37,44)(H,38,42)(H,40,41)/t20-,24-,25-,26-,27+,29-/m0/s1 MGANYRJMHXJGOI-UIEKRSGCSA-N 50578250 CHEMBL4877632 Beta-secretase 1 Homo sapiens 93000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164626851 471054373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431239 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)c(c1)C(O)=O InChI=1S/C33H49N5O8S/c1-6-19(4)29(38-30(42)24(34)11-12-28(40)41)32(44)37-26(16-22-8-7-13-47-22)31(43)36-25(14-18(2)3)27(39)17-35-21-10-9-20(5)23(15-21)33(45)46/h7-10,13,15,18-19,24-27,29,35,39H,6,11-12,14,16-17,34H2,1-5H3,(H,36,43)(H,37,44)(H,38,42)(H,40,41)(H,45,46)/t19-,24-,25-,26-,27+,29-/m0/s1 QYCZMLHIMXMNNY-BITPWIMXSA-N 50578251 CHEMBL4873667 Beta-secretase 1 Homo sapiens 4900 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164620773 471054374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431240 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cc(C)cc(c1)C(O)=O InChI=1S/C33H49N5O8S/c1-6-20(5)29(38-30(42)24(34)9-10-28(40)41)32(44)37-26(16-23-8-7-11-47-23)31(43)36-25(12-18(2)3)27(39)17-35-22-14-19(4)13-21(15-22)33(45)46/h7-8,11,13-15,18,20,24-27,29,35,39H,6,9-10,12,16-17,34H2,1-5H3,(H,36,43)(H,37,44)(H,38,42)(H,40,41)(H,45,46)/t20-,24-,25-,26-,27+,29-/m0/s1 HHWKACYDEUTABY-UIEKRSGCSA-N 50578252 CHEMBL4866494 Beta-secretase 1 Homo sapiens 13000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164620570 471054375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431241 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc2ccccc12 InChI=1S/C35H49N5O6S/c1-5-22(4)32(40-33(44)26(36)15-16-31(42)43)35(46)39-29(19-24-12-9-17-47-24)34(45)38-28(18-21(2)3)30(41)20-37-27-14-8-11-23-10-6-7-13-25(23)27/h6-14,17,21-22,26,28-30,32,37,41H,5,15-16,18-20,36H2,1-4H3,(H,38,45)(H,39,46)(H,40,44)(H,42,43)/t22-,26-,28-,29-,30+,32-/m0/s1 MJNWJDDFFBWWKV-OFCXANMWSA-N 50578253 CHEMBL4858655 Beta-secretase 1 Homo sapiens 7500 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164613647 471054376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431242 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc2CCCCc2c1 InChI=1S/C35H53N5O6S/c1-5-22(4)32(40-33(44)27(36)14-15-31(42)43)35(46)39-29(19-26-11-8-16-47-26)34(45)38-28(17-21(2)3)30(41)20-37-25-13-12-23-9-6-7-10-24(23)18-25/h8,11-13,16,18,21-22,27-30,32,37,41H,5-7,9-10,14-15,17,19-20,36H2,1-4H3,(H,38,45)(H,39,46)(H,40,44)(H,42,43)/t22-,27-,28-,29-,30+,32-/m0/s1 WRZYSPWIDHHOMY-SCTYKFJQSA-N 50578254 CHEMBL4864653 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164620500 471054377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431243 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCC1 InChI=1S/C31H53N5O6S/c1-5-20(4)28(36-29(40)23(32)13-14-27(38)39)31(42)35-25(17-22-12-9-15-43-22)30(41)34-24(16-19(2)3)26(37)18-33-21-10-7-6-8-11-21/h9,12,15,19-21,23-26,28,33,37H,5-8,10-11,13-14,16-18,32H2,1-4H3,(H,34,41)(H,35,42)(H,36,40)(H,38,39)/t20-,23-,24-,25-,26+,28-/m0/s1 GUKKBNARBCHAMU-RAAIGAAGSA-N 50578255 CHEMBL4849016 Beta-secretase 1 Homo sapiens 4400 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164615507 471054378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431244 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCCC1 InChI=1S/C32H55N5O6S/c1-5-21(4)29(37-30(41)24(33)14-15-28(39)40)32(43)36-26(18-23-13-10-16-44-23)31(42)35-25(17-20(2)3)27(38)19-34-22-11-8-6-7-9-12-22/h10,13,16,20-22,24-27,29,34,38H,5-9,11-12,14-15,17-19,33H2,1-4H3,(H,35,42)(H,36,43)(H,37,41)(H,39,40)/t21-,24-,25-,26-,27+,29-/m0/s1 OTDZNXZCJNMAGP-AAMRELFESA-N 50578256 CHEMBL4872824 Beta-secretase 1 Homo sapiens 9200 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578256&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164624347 471054379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431245 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCCCC1 InChI=1S/C33H57N5O6S/c1-5-22(4)30(38-31(42)25(34)15-16-29(40)41)33(44)37-27(19-24-14-11-17-45-24)32(43)36-26(18-21(2)3)28(39)20-35-23-12-9-7-6-8-10-13-23/h11,14,17,21-23,25-28,30,35,39H,5-10,12-13,15-16,18-20,34H2,1-4H3,(H,36,43)(H,37,44)(H,38,42)(H,40,41)/t22-,25-,26-,27-,28+,30-/m0/s1 AIZXNBSBKNIVRU-ONKNPGDHSA-N 50578257 CHEMBL4853052 Beta-secretase 1 Homo sapiens 10000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50578257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50578257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164617899 471054380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431246 CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25+,26-/m0/s1 WKDNQONLGXOZRG-DFCKQENNSA-N 50452874 CHEMBL4217620 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 433921688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51431247 CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25+,26-/m0/s1 WKDNQONLGXOZRG-DFCKQENNSA-N 50452874 CHEMBL4217620 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmc.2021.116459 10.7270/Q2057KSB 34700240 Kobayashi, K; Otani, T; Ijiri, S; Kawasaki, Y; Matsubara, H; Miyagi, T; Kitajima, T; Iseki, R; Ishizawa, K; Shindo, N; Okawa, K; Ueda, K; Ando, S; Kawakita, M; Hattori, Y; Akaji, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452874&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 433921688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51433635 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNS(=O)(=O)c1cn[nH]c1 50579156 CHEMBL4862716 Beta-secretase 1 Homo sapiens 10800 ChEMBL 10.1016/j.ejmech.2021.113779 10.7270/Q2TB1BQF 34418785 Pont, C; Ginex, T; Griñán-Ferré, C; Scheiner, M; Mattellone, A; Martínez, N; Arce, EM; Soriano-Fernández, Y; Naldi, M; De Simone, A; Barenys, M; Gómez-Catalán, J; Pérez, B; Sabate, R; Andrisano, V; Loza, MI; Brea, J; Bartolini, M; Bolognesi, ML; Decker, M; Pallàs, M; Luque, FJ; Muñoz-Torrero, D University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164625440 471055279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51433636 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)cc(O)c1 InChI=1S/C33H40ClN3O3/c1-21-13-22-15-23(14-21)31-30(16-22)37-29-19-25(34)9-10-28(29)32(31)35-11-7-5-3-2-4-6-8-12-36-33(40)24-17-26(38)20-27(39)18-24/h9-10,13,17-20,22-23,38-39H,2-8,11-12,14-16H2,1H3,(H,35,37)(H,36,40) LODADOWHBHYNFI-UHFFFAOYSA-N 50579157 CHEMBL4859103 Beta-secretase 1 Homo sapiens 2710 ChEMBL 10.1016/j.ejmech.2021.113779 10.7270/Q2TB1BQF 34418785 Pont, C; Ginex, T; Griñán-Ferré, C; Scheiner, M; Mattellone, A; Martínez, N; Arce, EM; Soriano-Fernández, Y; Naldi, M; De Simone, A; Barenys, M; Gómez-Catalán, J; Pérez, B; Sabate, R; Andrisano, V; Loza, MI; Brea, J; Bartolini, M; Bolognesi, ML; Decker, M; Pallàs, M; Luque, FJ; Muñoz-Torrero, D University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579157&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164615947 471055280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51433637 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50) VZYCFKMNVCPCHV-UHFFFAOYSA-N 202363 US9238626, (+/-)-(Ib) HCl Beta-secretase 1 Homo sapiens 1500 ChEMBL 10.1016/j.ejmech.2021.113779 10.7270/Q2TB1BQF 34418785 Pont, C; Ginex, T; Griñán-Ferré, C; Scheiner, M; Mattellone, A; Martínez, N; Arce, EM; Soriano-Fernández, Y; Naldi, M; De Simone, A; Barenys, M; Gómez-Catalán, J; Pérez, B; Sabate, R; Andrisano, V; Loza, MI; Brea, J; Bartolini, M; Bolognesi, ML; Decker, M; Pallàs, M; Luque, FJ; Muñoz-Torrero, D University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=202363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=202363&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 72549440 319495457 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51433638 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N 15236 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one::3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one::CHEMBL164::Cannabiscetin::Myricetin::Myricetin (20)::Myricetin (Myr)::cid_5281672 Beta-secretase 1 Homo sapiens 4180 ChEMBL 10.1016/j.ejmech.2021.113779 10.7270/Q2TB1BQF 34418785 Pont, C; Ginex, T; Griñán-Ferré, C; Scheiner, M; Mattellone, A; Martínez, N; Arce, EM; Soriano-Fernández, Y; Naldi, M; De Simone, A; Barenys, M; Gómez-Catalán, J; Pérez, B; Sabate, R; Andrisano, V; Loza, MI; Brea, J; Bartolini, M; Bolognesi, ML; Decker, M; Pallàs, M; Luque, FJ; Muñoz-Torrero, D University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MYC 3HBF,7DPP,2IOD,5YUN,6M88,5HXC,7B3E,1E90,4GQR,7ELW,5XI1,6TTC,3C1T,2O63,7E49 5281672 46515543 18152 CHEMBL164 DB02375 C10107 ZINC03874317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454051 C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 FSIYTVBWWROBPT-KRWDZBQOSA-N 50587067 CHEMBL5093426 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587067&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 155903124 476023154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454053 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 BQFHTVUWPJXLOW-VQTJNVASSA-N 50012653 CHEMBL3261067 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SLK 7B1Q 66665322 103924906 CHEMBL3261067 ZINC29463978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454054 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H17BrF4N4O2/c1-17(9-30-18(2,16(25)28-17)19(22,23)24)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 XXUKTXRJOFQHLP-ZWKOTPCHSA-N 134356 US8846658, 68 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912801 242657631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454055 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F InChI=1S/C18H16BrF4N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-5-10(3-4-12(11)20)27-14(29)13-25-6-9(19)7-26-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,27,29)/t16-,17+/m0/s1 MONBOQDZSLNZSN-DLBZAZTESA-N 134359 US8846658, 71 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134359&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914980 242657634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454056 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F InChI=1S/C19H16F4N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-5-11(3-4-13(12)20)28-15(30)14-26-7-10(6-24)8-27-14/h3-5,7-8H,9H2,1-2H3,(H2,25,29)(H,28,30)/t17-,18+/m0/s1 KSZDQDUDHWUQCJ-ZWKOTPCHSA-N 134358 US8846658, 70 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134358&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912802 242657633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454057 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H17F4N5O2/c1-18(10-31-19(2,17(26)29-18)20(22,23)24)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1 TWKUHRBKUHLJDI-RBUKOAKNSA-N 134360 US8846658, 73 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134360&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66665524 242657635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454058 Cc1nc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-15(27-8-12(7-25)28-10)16(31)29-11-4-5-14(21)13(6-11)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,29,31)/t18-,19+/m0/s1 MDZDVNVGBBGHLD-RBUKOAKNSA-N 50587068 CHEMBL5077684 Beta-secretase 1 Homo sapiens 62 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587068&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626588 476023155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454059 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C20H16ClF4N5O2/c1-18(9-32-19(2,17(27)30-18)20(23,24)25)12-6-11(3-4-14(12)22)29-16(31)15-13(21)5-10(7-26)8-28-15/h3-6,8H,9H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1 HYRSOCCYHCESGJ-RBUKOAKNSA-N 50587069 CHEMBL5073160 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587069&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86699708 476023156 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454060 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2N)C#N)ccc1F InChI=1S/C20H18F4N6O2/c1-18(9-32-19(2,17(27)30-18)20(22,23)24)12-6-11(3-4-13(12)21)29-16(31)15-14(26)5-10(7-25)8-28-15/h3-6,8H,9,26H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1 XGBNYYCTJVZIKG-RBUKOAKNSA-N 50587070 CHEMBL5090563 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70374391 476023157 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454061 COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 InChI=1S/C21H22F4N4O3/c1-11-7-13(31-4)9-27-16(11)17(30)28-12-5-6-15(22)14(8-12)19(2)10-32-20(3,18(26)29-19)21(23,24)25/h5-9H,10H2,1-4H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1 DGKJKZFNUCFCQA-VQTJNVASSA-N 50587071 CHEMBL5075177 Beta-secretase 1 Homo sapiens 33 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587071&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626193 476023158 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454062 Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F InChI=1S/C21H20F6N4O3/c1-10-6-12(34-18(23)24)8-29-15(10)16(32)30-11-4-5-14(22)13(7-11)19(2)9-33-20(3,17(28)31-19)21(25,26)27/h4-8,18H,9H2,1-3H3,(H2,28,31)(H,30,32)/t19-,20+/m0/s1 NGPXAOWJBUFQFX-VQTJNVASSA-N 50587072 CHEMBL5086270 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587072&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89870630 476023159 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454063 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F InChI=1S/C20H17ClF6N4O3/c1-18(8-33-19(2,16(28)31-18)20(25,26)27)11-5-9(3-4-13(11)22)30-15(32)14-12(21)6-10(7-29-14)34-17(23)24/h3-7,17H,8H2,1-2H3,(H2,28,31)(H,30,32)/t18-,19+/m0/s1 WAZXJCCRJQZNHV-RBUKOAKNSA-N 50587073 CHEMBL5074449 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587073&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89870632 476023160 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454064 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C19H16Cl2F4N4O2/c1-17(8-31-18(2,16(26)29-17)19(23,24)25)11-6-10(3-4-13(11)22)28-15(30)14-12(21)5-9(20)7-27-14/h3-7H,8H2,1-2H3,(H2,26,29)(H,28,30)/t17-,18+/m0/s1 LFRZWTUDQUJIOZ-ZWKOTPCHSA-N 50587074 CHEMBL5085959 Beta-secretase 1 Homo sapiens 8.0 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587074&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166636288 476023161 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454065 C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 HALWMQVNBCAXRZ-KRWDZBQOSA-N 134293 US8846658, 3 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134293&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search D9W 6FGY 50913659 242657568 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454066 CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C17H16BrFN4O2/c1-17(9-25-8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24) AWWAZUFXKKZKCD-UHFFFAOYSA-N 134348 US8846658, 60 Beta-secretase 1 Homo sapiens 58 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134348&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50914831 242657623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454067 C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18-/m0/s1 YGNDEESWZOXXLA-ROUUACIJSA-N 50273443 CHEMBL4128145 Beta-secretase 1 Homo sapiens 1080 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273443&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145963432 104117569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454068 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 YGNDEESWZOXXLA-ZWKOTPCHSA-N 134354 US8846658, 66 Beta-secretase 1 Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134354&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SL8 7B1P 50914981 242657629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51454069 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F InChI=1S/C19H17BrF4N4O2/c1-17(9-30-18(2,16(25)28-17)19(22,23)24)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1 XXUKTXRJOFQHLP-ZWKOTPCHSA-N 134356 US8846658, 68 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.0c02143 10.7270/Q20P13X7 33844524 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=134356&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 50912801 242657631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242630 NC1=N[C@@]2(CN(C[C@@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H18ClF3N6S/c24-15-2-4-20(29-7-15)19(27)6-13-1-3-18(26)17(5-13)23-12-33(22-30-8-16(25)9-31-22)10-14(23)11-34-21(28)32-23/h1-9,14H,10-12H2,(H2,28,32)/b19-6-/t14-,23-/m1/s1 QWWBKEHWUIMNGN-XBWNKMOUSA-N 589167 US11548903, Example 100 Beta-secretase 1 Homo sapiens 847 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589167&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126224 476024598 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242633 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C23H18ClF3N6S/c24-15-2-4-20(29-7-15)19(27)6-13-1-3-18(26)17(5-13)23-12-33(22-30-8-16(25)9-31-22)10-14(23)11-34-21(28)32-23/h1-9,14H,10-12H2,(H2,28,32)/b19-6-/t14-,23-/m0/s1 QWWBKEHWUIMNGN-IRHUPWNQSA-N 589168 US11548903, Example 101 Beta-secretase 1 Homo sapiens 1.84 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125500 476024599 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242636 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H18F3N7S/c25-17-9-31-23(32-10-17)34-11-16-12-35-22(29)33-24(16,13-34)18-5-14(1-3-19(18)26)6-20(27)21-4-2-15(7-28)8-30-21/h1-6,8-10,16H,11-13H2,(H2,29,33)/b20-6-/t16-,24-/m0/s1 ULUVFLUZTKOQFK-GQGWRHQGSA-N 589169 US11548903, Example 102 Beta-secretase 1 Homo sapiens 0.241 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589169&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126511 476024600 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242639 NC1=N[C@@]2(CN(C[C@@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H18F3N7S/c25-17-9-31-23(32-10-17)34-11-16-12-35-22(29)33-24(16,13-34)18-5-14(1-3-19(18)26)6-20(27)21-4-2-15(7-28)8-30-21/h1-6,8-10,16H,11-13H2,(H2,29,33)/b20-6-/t16-,24-/m1/s1 ULUVFLUZTKOQFK-OFNIGGJOSA-N 589170 US11548903, Example 103 Beta-secretase 1 Homo sapiens 1.86 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589170&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125491 476024601 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242642 NC1=N[C@@]2(COC[C@@H]2CS1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H16ClF2N3OS/c20-13-2-4-17(24-7-13)16(22)6-11-1-3-15(21)14(5-11)19-10-26-8-12(19)9-27-18(23)25-19/h1-7,12H,8-10H2,(H2,23,25)/b16-6-/t12-,19-/m1/s1 ZJVSZNABCFISIE-RTHZJDNOSA-N 589171 US11548903, Example 104 Beta-secretase 1 Homo sapiens 804 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126105 476024602 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242645 NC1=N[C@]2(COC[C@H]2CS1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F InChI=1S/C19H16ClF2N3OS/c20-13-2-4-17(24-7-13)16(22)6-11-1-3-15(21)14(5-11)19-10-26-8-12(19)9-27-18(23)25-19/h1-7,12H,8-10H2,(H2,23,25)/b16-6-/t12-,19-/m0/s1 ZJVSZNABCFISIE-WURPYDPGSA-N 589172 US11548903, Example 105 Beta-secretase 1 Homo sapiens 64.4 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126527 476024603 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242648 NC1=N[C@@]2(COC[C@@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16F2N4OS/c21-16-3-1-12(6-17(22)18-4-2-13(7-23)8-25-18)5-15(16)20-11-27-9-14(20)10-28-19(24)26-20/h1-6,8,14H,9-11H2,(H2,24,26)/b17-6-/t14-,20-/m1/s1 LDFGUJZWAPTGJN-NJQKEIMISA-N 589173 US11548903, Example 106 Beta-secretase 1 Homo sapiens 502 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589173&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125556 476024604 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242651 NC1=N[C@]2(COC[C@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16F2N4OS/c21-16-3-1-12(6-17(22)18-4-2-13(7-23)8-25-18)5-15(16)20-11-27-9-14(20)10-28-19(24)26-20/h1-6,8,14H,9-11H2,(H2,24,26)/b17-6-/t14-,20-/m0/s1 LDFGUJZWAPTGJN-HHOPTJALSA-N 589174 US11548903, Example 107 Beta-secretase 1 Homo sapiens 11.7 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589174&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126177 476024605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242654 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F InChI=1S/C22H17ClF3N7S/c23-19-8-28-18(7-29-19)17(26)4-12-1-2-16(25)15(3-12)22-11-33(21-30-5-14(24)6-31-21)9-13(22)10-34-20(27)32-22/h1-8,13H,9-11H2,(H2,27,32)/b17-4-/t13-,22-/m0/s1 NVHQEYWZRHMTHG-NFIKYYAXSA-N 589175 US11548903, Example 108 Beta-secretase 1 Homo sapiens 2.71 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589175&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166638754 476024606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242657 NC1=N[C@@]2(CN(C[C@@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C25H20F3N7OS/c1-2-5-36-22-11-30-21(10-31-22)20(28)7-15-3-4-19(27)18(6-15)25-14-35(24-32-8-17(26)9-33-24)12-16(25)13-37-23(29)34-25/h1,3-4,6-11,16H,5,12-14H2,(H2,29,34)/b20-7-/t16-,25-/m1/s1 FSZBZCCCGRRZMK-XFRYHZJKSA-N 589176 US11548903, Example 109 Beta-secretase 1 Homo sapiens 0.149 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589176&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 147562826 476024607 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242660 Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]23CN(C[C@@H]2CSC(N)=N3)c2ncc(F)cn2)n1 InChI=1S/C26H22F3N9O2S/c1-14-35-23(40-37-14)11-39-22-9-31-21(8-32-22)20(29)5-15-2-3-19(28)18(4-15)26-13-38(25-33-6-17(27)7-34-25)10-16(26)12-41-24(30)36-26/h2-9,16H,10-13H2,1H3,(H2,30,36)/b20-5-/t16-,26-/m1/s1 GGJSTTRLUUKPRS-VICLWSEVSA-N 589178 US11548903, Example 110 Beta-secretase 1 Homo sapiens 1.56 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589178&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153510392 476024609 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242663 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C23H17F3N8S/c24-15-6-31-22(32-7-15)34-10-14-11-35-21(28)33-23(14,12-34)17-3-13(1-2-18(17)25)4-19(26)20-9-29-16(5-27)8-30-20/h1-4,6-9,14H,10-12H2,(H2,28,33)/b19-4-/t14-,23-/m0/s1 YIQUYGRGOCRWFL-QFMRXCROSA-N 589179 US11548903, Example 111 Beta-secretase 1 Homo sapiens 0.320 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589179&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125576 476024610 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242666 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(OCC(F)(F)CF)cn2)ccc1F InChI=1S/C25H21F6N7OS/c26-11-24(30,31)13-39-21-8-33-20(7-34-21)19(29)4-14-1-2-18(28)17(3-14)25-12-38(23-35-5-16(27)6-36-23)9-15(25)10-40-22(32)37-25/h1-8,15H,9-13H2,(H2,32,37)/b19-4-/t15-,25-/m0/s1 NKTVVBVLBYUENV-JDMLOWPRSA-N 589180 US11548903, Example 112 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589180&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166638755 476024611 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242669 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C24H20F5N7OS/c25-15-5-33-23(34-6-15)36-9-14-11-38-22(30)35-24(14,12-36)16-3-13(1-2-17(16)26)4-18(27)19-7-32-21(8-31-19)37-10-20(28)29/h1-8,14,20H,9-12H2,(H2,30,35)/b18-4-/t14-,24-/m0/s1 OCOWEWOMRYUXLY-NZEFLHGSSA-N 589181 US11548903, Example 113 Beta-secretase 1 Homo sapiens 22.6 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589181&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126208 476024612 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242672 COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C26H26F3N7O2S/c1-15(12-37-2)38-23-10-31-22(9-32-23)21(29)6-16-3-4-20(28)19(5-16)26-14-36(25-33-7-18(27)8-34-25)11-17(26)13-39-24(30)35-26/h3-10,15,17H,11-14H2,1-2H3,(H2,30,35)/b21-6-/t15-,17-,26-/m0/s1 CDTWUVDFDJGSJB-KJPUCCIKSA-N 589182 US11548903, Example 114 Beta-secretase 1 Homo sapiens 8.96 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589182&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125571 476024613 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242675 C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1)C#C InChI=1S/C26H22F3N7OS/c1-3-15(2)37-23-11-31-22(10-32-23)21(29)7-16-4-5-20(28)19(6-16)26-14-36(25-33-8-18(27)9-34-25)12-17(26)13-38-24(30)35-26/h1,4-11,15,17H,12-14H2,2H3,(H2,30,35)/b21-7-/t15-,17-,26-/m0/s1 JXIRZJRQKBJGGS-QDKFJWRJSA-N 589183 US11548903, Example 115 Beta-secretase 1 Homo sapiens 1.01 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589183&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126531 476024614 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242678 CC(C)(C)OC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C26H27F2N5O3S/c1-5-8-35-22-12-30-21(11-31-22)20(28)10-16-6-7-19(27)18(9-16)26-15-33(24(34)36-25(2,3)4)13-17(26)14-37-23(29)32-26/h1,6-7,9-12,17H,8,13-15H2,2-4H3,(H2,29,32)/b20-10-/t17-,26-/m0/s1 SLYQTIWEMIPJBU-LVCAKNIOSA-N 589184 US11548903, Example 116 Beta-secretase 1 Homo sapiens 2.53 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589184&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125545 476024615 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242681 CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(NC(=O)c1ccccc1)=N2)c1ncc(F)cn1 InChI=1S/C33H26F3N7O2S/c1-2-3-11-45-29-17-37-28(16-38-29)27(36)13-21-9-10-26(35)25(12-21)33-20-43(31-39-14-24(34)15-40-31)18-23(33)19-46-32(42-33)41-30(44)22-7-5-4-6-8-22/h4-10,12-17,23H,11,18-20H2,1H3,(H,41,42,44)/b27-13-/t23-,33-/m0/s1 AAWPKTSUNVJJFB-IOTVGOTFSA-N 589185 US11548903, Example 117 Beta-secretase 1 Homo sapiens 0.287 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589185&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166638756 476024616 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242684 CC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H21F2N5O2S/c1-3-6-32-21-10-27-20(9-28-21)19(25)8-15-4-5-18(24)17(7-15)23-13-30(14(2)31)11-16(23)12-33-22(26)29-23/h1,4-5,7-10,16H,6,11-13H2,2H3,(H2,26,29)/b19-8-/t16-,23-/m0/s1 GVGDDAMRPNXGDV-XDKHHPEJSA-N 589187 US11548903, Example 118 Beta-secretase 1 Homo sapiens 7.45 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589187&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126121 476024618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242687 NC1=N[C@]2(CN(C[C@H]2CS1)C(=O)CC(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C24H20F5N5O2S/c1-2-5-36-20-10-31-19(9-32-20)18(26)7-14-3-4-17(25)16(6-14)23-13-34(21(35)8-24(27,28)29)11-15(23)12-37-22(30)33-23/h1,3-4,6-7,9-10,15H,5,8,11-13H2,(H2,30,33)/b18-7-/t15-,23-/m0/s1 LRYCNIPUORKTCN-VJDNRRECSA-N 589188 US11548903, Example 119 Beta-secretase 1 Homo sapiens 9.45 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589188&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125548 476024619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242690 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C25H21F2N7OS/c1-2-8-35-22-12-31-21(11-32-22)20(27)10-16-4-5-19(26)18(9-16)25-15-34(24-29-6-3-7-30-24)13-17(25)14-36-23(28)33-25/h1,3-7,9-12,17H,8,13-15H2,(H2,28,33)/b20-10-/t17-,25-/m0/s1 HENFIGCJZYPGHN-ZVSUQRSESA-N 589190 US11548903, Example 120 Beta-secretase 1 Homo sapiens 0.186 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589190&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126185 476024621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242693 COC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C23H21F2N5O3S/c1-3-6-33-20-10-27-19(9-28-20)18(25)8-14-4-5-17(24)16(7-14)23-13-30(22(31)32-2)11-15(23)12-34-21(26)29-23/h1,4-5,7-10,15H,6,11-13H2,2H3,(H2,26,29)/b18-8-/t15-,23-/m0/s1 VZLOTJHBBLSHGI-XHYYJACISA-N 589192 US11548903, Example 121 Beta-secretase 1 Homo sapiens 1.59 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589192&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125552 476024623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242696 CCC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C24H23F2N5O2S/c1-3-7-33-21-11-28-20(10-29-21)19(26)9-15-5-6-18(25)17(8-15)24-14-31(22(32)4-2)12-16(24)13-34-23(27)30-24/h1,5-6,8-11,16H,4,7,12-14H2,2H3,(H2,27,30)/b19-9-/t16-,24-/m0/s1 SECXNYKABFAMCL-WIPKHFKKSA-N 589193 US11548903, Example 122 Beta-secretase 1 Homo sapiens 2.36 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589193&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126183 476024624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242699 CCOC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C24H23F2N5O3S/c1-3-7-34-21-11-28-20(10-29-21)19(26)9-15-5-6-18(25)17(8-15)24-14-31(23(32)33-4-2)12-16(24)13-35-22(27)30-24/h1,5-6,8-11,16H,4,7,12-14H2,2H3,(H2,27,30)/b19-9-/t16-,24-/m0/s1 XZZXPRLHXYGWLB-WIPKHFKKSA-N 589194 US11548903, Example 123 Beta-secretase 1 Homo sapiens 4.50 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589194&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125553 476024625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242702 CC(C)OC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C25H25F2N5O3S/c1-4-7-34-22-11-29-21(10-30-22)20(27)9-16-5-6-19(26)18(8-16)25-14-32(24(33)35-15(2)3)12-17(25)13-36-23(28)31-25/h1,5-6,8-11,15,17H,7,12-14H2,2-3H3,(H2,28,31)/b20-9-/t17-,25-/m0/s1 UJCOGXBQTWYOGU-PXMJIZCVSA-N 589195 US11548903, Example 124 Beta-secretase 1 Homo sapiens 2.62 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589195&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125483 476024626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242705 NC1=N[C@@]2(CO[C@H]([C@@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15F5N4OS/c22-15-3-1-11(6-16(23)17-4-2-12(7-27)8-29-17)5-13(15)20-10-31-18(21(24,25)26)14(20)9-32-19(28)30-20/h1-6,8,14,18H,9-10H2,(H2,28,30)/b16-6-/t14-,18+,20-/m0/s1 WYLKDBUCNHBXCP-YIHKTLQQSA-N 589196 US11548903, Example 125 Beta-secretase 1 Homo sapiens 2540 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589196&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126246 476024627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242708 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15F5N4OS/c22-15-3-1-11(6-16(23)17-4-2-12(7-27)8-29-17)5-13(15)20-10-31-18(21(24,25)26)14(20)9-32-19(28)30-20/h1-6,8,14,18H,9-10H2,(H2,28,30)/b16-6-/t14-,18+,20-/m1/s1 WYLKDBUCNHBXCP-XOYQDKGISA-N 589197 US11548903, Example 126 Beta-secretase 1 Homo sapiens 20.1 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589197&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126223 476024628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242711 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F InChI=1S/C22H17F5N4O2S/c1-2-5-32-18-9-29-17(8-30-18)16(24)7-12-3-4-15(23)13(6-12)21-11-33-19(22(25,26)27)14(21)10-34-20(28)31-21/h1,3-4,6-9,14,19H,5,10-11H2,(H2,28,31)/b16-7-/t14-,19+,21-/m1/s1 ZIKMCSQBXXNAMM-CUWGKCGESA-N 589198 US11548903, Example 127 Beta-secretase 1 Homo sapiens 103 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589198&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126168 476024629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242714 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F InChI=1S/C20H14F5N5OS/c21-14-2-1-10(4-15(22)16-7-28-11(5-26)6-29-16)3-12(14)19-9-31-17(20(23,24)25)13(19)8-32-18(27)30-19/h1-4,6-7,13,17H,8-9H2,(H2,27,30)/b15-4-/t13-,17+,19-/m1/s1 BUJQZBNDSOLLBU-QFWLKESYSA-N 589200 US11548903, Example 128 Beta-secretase 1 Homo sapiens 15.3 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589200&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126520 476024631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242717 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F InChI=1S/C21H15F8N3O2S/c22-14-3-1-10(6-15(23)16-4-2-11(7-31-16)34-21(27,28)29)5-12(14)19-9-33-17(20(24,25)26)13(19)8-35-18(30)32-19/h1-7,13,17H,8-9H2,(H2,30,32)/b15-6-/t13-,17+,19-/m1/s1 YVNTYZHIQCBZIN-XKMNTDACSA-N 589201 US11548903, Example 129 Beta-secretase 1 Homo sapiens 108 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589201&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126239 476024632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242720 COc1nc(nc(C)c1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C26H22F3N7OS/c1-14-22(29)23(37-2)34-25(33-14)36-11-17-12-38-24(31)35-26(17,13-36)18-7-15(3-5-19(18)27)8-20(28)21-6-4-16(9-30)10-32-21/h3-8,10,17H,11-13H2,1-2H3,(H2,31,35)/b20-8-/t17-,26-/m0/s1 ZOLASYMXTWTSAU-AIELCWNPSA-N 589202 US11548903, Example 130 Beta-secretase 1 Homo sapiens 0.405 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589202&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125554 476024633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242723 NC1=N[C@]2(CO[C@H](CF)[C@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F3N4OS/c22-7-19-15-10-30-20(26)28-21(15,11-29-19)14-5-12(1-3-16(14)23)6-17(24)18-4-2-13(8-25)9-27-18/h1-6,9,15,19H,7,10-11H2,(H2,26,28)/b17-6-/t15-,19-,21-/m1/s1 GWEZIKZYIWTLEB-ANUQTDGMSA-N 589203 US11548903, Example 131 Beta-secretase 1 Homo sapiens 3.83 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589203&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135125486 476024634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242726 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F InChI=1S/C20H15F6N3OS/c21-11-2-4-16(28-7-11)15(23)6-10-1-3-14(22)12(5-10)19-9-30-17(20(24,25)26)13(19)8-31-18(27)29-19/h1-7,13,17H,8-9H2,(H2,27,29)/b15-6-/t13-,17+,19-/m1/s1 ZFFHULOAPNORBL-XKMNTDACSA-N 589204 US11548903, Example 132 Beta-secretase 1 Homo sapiens 426 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589204&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126157 476024635 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242729 NC1=N[C@@]2(CO[C@@H](CF)[C@@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H17F3N4OS/c22-7-19-15-10-30-20(26)28-21(15,11-29-19)14-5-12(1-3-16(14)23)6-17(24)18-4-2-13(8-25)9-27-18/h1-6,9,15,19H,7,10-11H2,(H2,26,28)/b17-6-/t15-,19-,21-/m0/s1 GWEZIKZYIWTLEB-WJDPGPTFSA-N 589205 US11548903, Example 133 Beta-secretase 1 Homo sapiens 1215 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589205&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126263 476024636 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242732 COc1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C25H20F3N7OS/c1-36-22-20(28)10-32-24(33-22)35-11-16-12-37-23(30)34-25(16,13-35)17-6-14(2-4-18(17)26)7-19(27)21-5-3-15(8-29)9-31-21/h2-7,9-10,16H,11-13H2,1H3,(H2,30,34)/b19-7-/t16-,25-/m0/s1 ATYAWJWVHNUXQF-DAISNLPVSA-N 589206 US11548903, Example 134 Beta-secretase 1 Homo sapiens 1.40 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589206&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126127 476024637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242735 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C24H19F2N7S/c25-19-4-2-15(9-20(26)21-5-3-16(10-27)11-31-21)8-18(19)24-14-33(23-29-6-1-7-30-23)12-17(24)13-34-22(28)32-24/h1-9,11,17H,12-14H2,(H2,28,32)/b20-9-/t17-,24-/m0/s1 QXCNRVRFOLSHHN-NETAFIBYSA-N 589207 US11548903, Example 135 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589207&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126114 476024638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242738 COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CO[C@@H]([C@H]1CSC(N)=N2)C(F)(F)F InChI=1S/C20H17F5N4O2S/c1-30-16-7-27-15(6-28-16)14(22)5-10-2-3-13(21)11(4-10)19-9-31-17(20(23,24)25)12(19)8-32-18(26)29-19/h2-7,12,17H,8-9H2,1H3,(H2,26,29)/b14-5-/t12-,17+,19-/m1/s1 KRDTZIZUJNTCAC-PFXPYRGJSA-N 589208 US11548903, Example 136 Beta-secretase 1 Homo sapiens 622 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589208&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126161 476024639 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242741 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C21H14ClF8N3OS/c22-13-5-10(20(25,26)27)6-32-16(13)15(24)4-9-1-2-14(23)11(3-9)19-8-34-17(21(28,29)30)12(19)7-35-18(31)33-19/h1-6,12,17H,7-8H2,(H2,31,33)/b15-4-/t12-,17+,19-/m1/s1 NVNVYXHMZVSSEQ-WUXFZBHOSA-N 589209 US11548903, Example 137 Beta-secretase 1 Homo sapiens 15.0 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589209&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135137515 476024640 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242744 Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@]12CO[C@@H]([C@H]1CSC(N)=N2)C(F)(F)F)C#N InChI=1S/C22H17F5N4OS/c1-11-4-13(7-28)8-30-18(11)17(24)6-12-2-3-16(23)14(5-12)21-10-32-19(22(25,26)27)15(21)9-33-20(29)31-21/h2-6,8,15,19H,9-10H2,1H3,(H2,29,31)/b17-6-/t15-,19+,21-/m1/s1 GRUTXYOBHJITRJ-BCUMICGMSA-N 589210 US11548903, Example 138 Beta-secretase 1 Homo sapiens 27.2 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589210&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126149 476024641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242747 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H15F8N3OS/c22-14-3-1-10(6-15(23)16-4-2-11(7-31-16)20(24,25)26)5-12(14)19-9-33-17(21(27,28)29)13(19)8-34-18(30)32-19/h1-7,13,17H,8-9H2,(H2,30,32)/b15-6-/t13-,17+,19-/m1/s1 JZGAHRFJHBROMI-XKMNTDACSA-N 589211 US11548903, Example 139 Beta-secretase 1 Homo sapiens 15.8 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589211&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126532 476024642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242750 NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C21H14ClF5N4OS/c22-14-4-11(6-28)7-30-17(14)16(24)5-10-1-2-15(23)12(3-10)20-9-32-18(21(25,26)27)13(20)8-33-19(29)31-20/h1-5,7,13,18H,8-9H2,(H2,29,31)/b16-5-/t13-,18+,20-/m1/s1 LKKOUIIDFVHOOT-ZZKGRASYSA-N 589212 US11548903, Example 140 Beta-secretase 1 Homo sapiens 8.70 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589212&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126562 476024643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242753 NC1=N[C@]2(CO[C@@H]([C@H]2CO1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15F5N4O2/c22-15-3-1-11(6-16(23)17-4-2-12(7-27)8-29-17)5-13(15)20-10-32-18(21(24,25)26)14(20)9-31-19(28)30-20/h1-6,8,14,18H,9-10H2,(H2,28,30)/b16-6-/t14-,18+,20-/m1/s1 BCOHSRWZBPAAFJ-XOYQDKGISA-N 589213 US11548903, Example 141 Beta-secretase 1 Homo sapiens 86.2 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126072 476024644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242756 NC1=N[C@]2(CO[C@@H]([C@H]2CO1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15F5N4O2/c22-15-3-1-11(6-16(23)17-4-2-12(7-27)8-29-17)5-13(15)20-10-32-18(21(24,25)26)14(20)9-31-19(28)30-20/h1-6,8,14,18H,9-10H2,(H2,28,30)/b16-6-/t14-,18+,20-/m1/s1 BCOHSRWZBPAAFJ-XOYQDKGISA-N 589214 US11548903, Example 142 Beta-secretase 1 Homo sapiens 37.2 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126072 476024645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242759 NC1=N[C@@]2(CO[C@H]([C@@H]2CO1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15F5N4O2/c22-15-3-1-11(6-16(23)17-4-2-12(7-27)8-29-17)5-13(15)20-10-32-18(21(24,25)26)14(20)9-31-19(28)30-20/h1-6,8,14,18H,9-10H2,(H2,28,30)/b16-6-/t14-,18+,20-/m0/s1 BCOHSRWZBPAAFJ-YIHKTLQQSA-N 589215 US11548903, Example 143 Beta-secretase 1 Homo sapiens 9010 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126195 476024646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242762 NC1=N[C@]2(CO[C@H](C(F)F)[C@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H16F4N4OS/c22-15-3-1-11(6-16(23)17-4-2-12(7-26)8-28-17)5-13(15)21-10-30-18(19(24)25)14(21)9-31-20(27)29-21/h1-6,8,14,18-19H,9-10H2,(H2,27,29)/b16-6-/t14-,18+,21-/m1/s1 WHIUBCKUVNJKKI-LETVZAPESA-N 589216 US11548903, Example 144 Beta-secretase 1 Homo sapiens 21.6 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126265 476024647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1242765 NC1=N[C@@]2(CO[C@@H](C(F)F)[C@@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H16F4N4OS/c22-15-3-1-11(6-16(23)17-4-2-12(7-26)8-28-17)5-13(15)21-10-30-18(19(24)25)14(21)9-31-20(27)29-21/h1-6,8,14,18-19H,9-10H2,(H2,27,29)/b16-6-/t14-,18+,21-/m0/s1 WHIUBCKUVNJKKI-ILGMIYRDSA-N 589217 US11548903, Example 145 Beta-secretase 1 Homo sapiens 48.5 US Patent 10.7270/Q2NP2882 US11548903 Allen, JR; Bourbeau, MP; Chen, N; Liu, Q; Pettus, LH; Siegmund, AC Amgen Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=589217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=589217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 135126179 476024648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438409 C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2 InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1 FKPBYKKZZCOMKI-MIDHOLSSSA-N 50540168 CHEMBL4644249 Beta-secretase 1 Homo sapiens 991 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540168&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QJP 6UVY 145704718 442141731 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438410 C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1 InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1 UKXLLHCQBVONES-MPDRSUQMSA-N 50540171 CHEMBL4643727 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540171&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QKA 6UWP 145704719 442141734 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438411 C[C@@H]1C[C@H]1COC(C)(C)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1 InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1 BFGQEVKVRRYAQC-IFEDNLKFSA-N 50540172 CHEMBL4637426 Beta-secretase 1 Homo sapiens 10 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50540172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50540172&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QK7 6UWV 145704720 442141735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438412 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 239 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438413 NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1 NIDRNVHMMDAAIK-YPMLDQLKSA-N 50012647 CHEMBL2396989 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012647&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3YS 4X7I 49837968 103924900 CHEMBL2396989 ZINC29415484 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438414 Cl.Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1cccs1 InChI=1S/C14H15N5S2.2ClH/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13;;/h1-6,10H,7-9H2,(H2,15,18);2*1H/t10-,14-;;/m0../s1 LSGLQMSNAUWSBD-UROSVOJDSA-N 50581132 CHEMBL5088790 Beta-secretase 1 Homo sapiens 121 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50581132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50581132&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89823480 476026137 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438415 Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccs1 InChI=1S/C14H14FN5S2.ClH/c15-10-4-17-13(18-5-10)20-6-9-7-22-12(16)19-14(9,8-20)11-2-1-3-21-11;/h1-5,9H,6-8H2,(H2,16,19);1H/t9-,14-;/m0./s1 WWZSBINBHKTCQF-HDWCWOBCSA-N 50581133 CHEMBL5093835 Beta-secretase 1 Homo sapiens 83 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50581133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50581133&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 78318765 476026138 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438416 Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cnccn1 InChI=1S/C14H14FN7S.ClH/c15-10-3-19-13(20-4-10)22-6-9-7-23-12(16)21-14(9,8-22)11-5-17-1-2-18-11;/h1-5,9H,6-8H2,(H2,16,21);1H/t9-,14-;/m0./s1 CHRVFCRBVPILGC-HDWCWOBCSA-N 50581134 CHEMBL5091705 Beta-secretase 1 Homo sapiens 470 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50581134 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438417 Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(s1)C#N InChI=1S/C15H13FN6S2.ClH/c16-10-4-19-14(20-5-10)22-6-9-7-23-13(18)21-15(9,8-22)12-2-1-11(3-17)24-12;/h1-2,4-5,9H,6-8H2,(H2,18,21);1H/t9-,15-;/m0./s1 CEMKBBMCDHHRMT-UXZWUECBSA-N 50581135 CHEMBL3701715 Beta-secretase 1 Homo sapiens 110 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50581135 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438418 Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccns1 InChI=1S/C13H13FN6S2.ClH/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10;/h1-4,8H,5-7H2,(H2,15,19);1H/t8-,13-;/m0./s1 SVNKRWLWUZCYQD-GAYVKDPFSA-N 50581136 CHEMBL3701713 Beta-secretase 1 Homo sapiens 172 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50581136 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438419 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C22H18F3N7OS/c23-13-1-4-18(27-6-13)19(33)30-15-2-3-17(25)16(5-15)22-11-32(21-28-7-14(24)8-29-21)9-12(22)10-34-20(26)31-22/h1-8,12H,9-11H2,(H2,26,31)(H,30,33)/t12-,22-/m0/s1 RNPOMBJFPXUWGB-YTEVENLXSA-N 150688 US8987254, 3::US9999624, 3 Beta-secretase 1 Homo sapiens 0.603000 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150688&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 90402017 252824939 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438420 NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F InChI=1S/C22H17F4N7OS/c23-12-3-17(26)18(28-5-12)19(34)31-14-1-2-16(25)15(4-14)22-10-33(21-29-6-13(24)7-30-21)8-11(22)9-35-20(27)32-22/h1-7,11H,8-10H2,(H2,27,32)(H,31,34)/t11-,22-/m0/s1 LNRQLHAIEKKCPQ-SAHAZLINSA-N 150693 US8987254, 8::US9999624, 9 Beta-secretase 1 Homo sapiens 0.780000 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=150693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 86762789 252824944 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51438421 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 VQSRKMNBWMHJKY-YTEVENLXSA-N 400979 US9999624, Compound 4 Beta-secretase 1 Homo sapiens 0.615000 ChEMBL 10.1021/acs.jmedchem.1c00489 10.7270/Q29W0KBW 34081466 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Lilly Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=400979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=400979&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search ZR7 7MYU 78210254 405260980 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233484 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCN(CC)C(=O)c2cc(OCC)cc(c2)C(=O)N1 InChI=1S/C30H49N3O5/c1-6-9-14-31-28(35)22(5)17-27(34)26-16-21(4)13-11-10-12-15-33(7-2)30(37)24-18-23(29(36)32-26)19-25(20-24)38-8-3/h18-22,26-27,34H,6-17H2,1-5H3,(H,31,35)(H,32,36)/t21-,22-,26+,27+/m1/s1 SQQOMEGTQPPAAA-SZUBIPLGSA-N 586634 BACE_1 Beta-secretase 1 Homo sapiens 16 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586634&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E4Y 5QCT 68541056 475956242 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233485 C[C@@H]1CCCCCCOCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C InChI=1S/C31H51N3O4/c1-22-12-9-7-8-10-17-38-21-28(36)34(6)23(2)29(37)33-26(18-22)27(35)20-32-31(15-16-31)25-14-11-13-24(19-25)30(3,4)5/h11,13-14,19,22-23,26-27,32,35H,7-10,12,15-18,20-21H2,1-6H3,(H,33,37)/t22-,23+,26+,27-/m1/s1 DTTFGMDFRQRNPI-GXVHRJHYSA-N 586652 BACE_4 Beta-secretase 1 Homo sapiens 7.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586652&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E6Y 5QD9 68942945 475956260 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233486 CCCc1cc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCOCC(=O)N(C)[C@@H](C)C(=O)N2)n[nH]1 InChI=1S/C25H45N5O4/c1-5-10-20-14-21(29-28-20)15-26-16-23(31)22-13-18(2)11-8-6-7-9-12-34-17-24(32)30(4)19(3)25(33)27-22/h14,18-19,22-23,26,31H,5-13,15-17H2,1-4H3,(H,27,33)(H,28,29)/t18-,19+,22+,23-/m1/s1 NLWPKRWRLRUIHJ-CQIJRDABSA-N 586653 BACE_5 Beta-secretase 1 Homo sapiens 400 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E5Y 5QD0 146048096 475956261 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233487 CCN1CCCCC[C@@H](C)C[C@H](NC(=O)c2cccc(c2)C1=O)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C31H45N3O3/c1-5-34-16-8-6-7-11-23(4)17-28(33-30(36)26-14-10-15-27(19-26)31(34)37)29(35)21-32-20-24-12-9-13-25(18-24)22(2)3/h9-10,12-15,18-19,22-23,28-29,32,35H,5-8,11,16-17,20-21H2,1-4H3,(H,33,36)/t23-,28+,29-/m1/s1 MYMHIVTZLXPTIU-LDVROUIZSA-N 586655 BACE_6 Beta-secretase 1 Homo sapiens 21 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586655&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E5D 5QCX 68538837 475956263 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233488 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCN([C@H](C)c3ccccc3)C(=O)c3cc(cc(c3)C(=O)N2)-c2ncco2)c1 InChI=1S/C40H50N4O4/c1-27(2)32-16-11-13-30(21-32)25-41-26-37(45)36-20-28(3)12-7-6-10-18-44(29(4)31-14-8-5-9-15-31)40(47)35-23-33(38(46)43-36)22-34(24-35)39-42-17-19-48-39/h5,8-9,11,13-17,19,21-24,27-29,36-37,41,45H,6-7,10,12,18,20,25-26H2,1-4H3,(H,43,46)/t28-,29-,36+,37-/m1/s1 WTVYZBOJEASHJM-PMKGPLEQSA-N 586657 BACE_7 Beta-secretase 1 Homo sapiens 2.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586657&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E5P 5QCY 146048094 475956265 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233489 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCCNc3cc(cc(Cl)n3)C(=O)N2)c1 InChI=1S/C28H41ClN4O3/c1-19(2)22-8-6-7-21(14-22)17-30-18-25(34)24-13-20(3)9-12-36-11-5-4-10-31-27-16-23(28(35)32-24)15-26(29)33-27/h6-8,14-16,19-20,24-25,30,34H,4-5,9-13,17-18H2,1-3H3,(H,31,33)(H,32,35)/t20-,24+,25-/m1/s1 MHXXUEKCLLRUIA-DCEDVJGZSA-N 586658 BACE_8 Beta-secretase 1 Homo sapiens 31 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586658&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E6P 5QD5 146048100 475956266 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233490 COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C32H49N3O3/c1-23(2)27-13-10-12-25(16-27)20-33-21-31(36)30-15-24(3)11-8-6-5-7-9-14-34-29-18-26(22-38-4)17-28(19-29)32(37)35-30/h10,12-13,16-19,23-24,30-31,33-34,36H,5-9,11,14-15,20-22H2,1-4H3,(H,35,37)/t24-,30+,31-/m1/s1 UGCIUWIDOWOQSA-XGJRVREISA-N 586659 BACE_9 Beta-secretase 1 Homo sapiens 93 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586659&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E6M 5QD3 146048098 475956267 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233491 COCc1cc2NCCCCOCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C31H47N3O4/c1-22(2)26-9-7-8-24(15-26)19-32-20-30(35)29-14-23(3)10-13-38-12-6-5-11-33-28-17-25(21-37-4)16-27(18-28)31(36)34-29/h7-9,15-18,22-23,29-30,32-33,35H,5-6,10-14,19-21H2,1-4H3,(H,34,36)/t23-,29+,30-/m1/s1 IFMINNXVEWATNC-GOQOSDJISA-N 586661 BACE_10 Beta-secretase 1 Homo sapiens 570 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586661&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E61 5QD1 146048097 475956269 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233492 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c3)c1 InChI=1S/C30H43N3O4/c1-21(2)25-12-8-11-24(16-25)19-31-20-28(34)27-18-23-10-9-13-26(17-23)37-15-7-5-6-14-29(35)33(4)22(3)30(36)32-27/h8-13,16-17,21-22,27-28,31,34H,5-7,14-15,18-20H2,1-4H3,(H,32,36)/t22-,27-,28+/m0/s1 FUURZWWGPRBEOS-QLCOJLISSA-N 586671 BACE_11 Beta-secretase 1 Homo sapiens 32 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586671&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E5A 5QCV 67375400 475956279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233493 COc1cc2cc(NCCCCc3cccc(C[C@H](NC2=O)[C@H](O)CNCc2cccc(c2)C(C)C)c3)n1 InChI=1S/C31H40N4O3/c1-21(2)25-12-7-11-24(15-25)19-32-20-28(36)27-16-23-10-6-9-22(14-23)8-4-5-13-33-29-17-26(31(37)34-27)18-30(35-29)38-3/h6-7,9-12,14-15,17-18,21,27-28,32,36H,4-5,8,13,16,19-20H2,1-3H3,(H,33,35)(H,34,37)/t27-,28+/m0/s1 LKVVVVQQVFSHRO-WUFINQPMSA-N 586672 BACE_12 Beta-secretase 1 Homo sapiens 7.80 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586672&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E74 5QDA 69224554 475956280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233494 COC[C@H]1CN[C@H](CO1)[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cc(COC)cc(c3)C(=O)N1)c2 InChI=1S/C28H39N3O6/c1-34-16-20-10-21-14-22(11-20)29-8-3-4-9-36-23-7-5-6-19(12-23)13-25(31-28(21)33)27(32)26-18-37-24(15-30-26)17-35-2/h5-7,10-12,14,24-27,29-30,32H,3-4,8-9,13,15-18H2,1-2H3,(H,31,33)/t24-,25+,26-,27+/m1/s1 ZMVXRCDFLHBKCX-RAVGUYNFSA-N 586674 BACE_13 Beta-secretase 1 Homo sapiens 8300 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E5V 5QCZ 146048095 475956282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233495 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cc(cc(c3)C(=O)N1)C(C)=O)c2 InChI=1S/C35H43N3O4/c1-23(2)26-9-7-10-29(19-26)35(12-13-35)37-22-33(40)32-17-25-8-6-11-31(16-25)42-15-5-4-14-36-30-20-27(24(3)39)18-28(21-30)34(41)38-32/h6-11,16,18-21,23,32-33,36-37,40H,4-5,12-15,17,22H2,1-3H3,(H,38,41)/t32-,33+/m0/s1 LUJWXMKDHHFLOK-JHOUSYSJSA-N 586677 BACE_14 Beta-secretase 1 Homo sapiens 9.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586677&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E4A 5QCO 67440750 475956285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233496 COCc1cc2OCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cccc(c1)C(C)C)c3 InChI=1S/C33H42N2O5/c1-23(2)27-10-6-9-25(14-27)20-34-21-32(36)31-18-24-8-7-11-29(16-24)39-12-4-5-13-40-30-17-26(22-38-3)15-28(19-30)33(37)35-31/h6-11,14-17,19,23,31-32,34,36H,4-5,12-13,18,20-22H2,1-3H3,(H,35,37)/t31-,32+/m0/s1 NGMBHSPURAEOBG-AJQTZOPKSA-N 586682 BACE_15 Beta-secretase 1 Homo sapiens 72 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586682&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E6J 5QD2 69227323 475956290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233497 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(OCC(C)=O)cc(c4)C(=O)N2)c3)c1 InChI=1S/C34H42N2O6/c1-23(2)27-10-6-9-26(14-27)20-35-21-33(38)32-16-25-8-7-11-29(15-25)40-12-4-5-13-41-30-17-28(34(39)36-32)18-31(19-30)42-22-24(3)37/h6-11,14-15,17-19,23,32-33,35,38H,4-5,12-13,16,20-22H2,1-3H3,(H,36,39)/t32-,33+/m0/s1 MKUSLLRHQBCOIB-JHOUSYSJSA-N 586683 BACE_16 Beta-secretase 1 Homo sapiens 34 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586683&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E4G 5QCP 69226666 475956291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233498 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCc2cccc(CS(=O)(=O)C[C@@H](C)C(=O)N1)c2 InChI=1S/C26H42N2O5S/c1-5-6-12-27-25(30)19(3)14-24(29)23-13-18(2)10-11-21-8-7-9-22(15-21)17-34(32,33)16-20(4)26(31)28-23/h7-9,15,18-20,23-24,29H,5-6,10-14,16-17H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,20-,23+,24+/m1/s1 RYVHNXNTYFQKLT-FSQPGOEKSA-N 586687 BACE_19 Beta-secretase 1 Homo sapiens 260 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586687&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E51 5QCU 69007077 475956295 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233499 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCCCC)nc(OC)c1 InChI=1S/C28H42N4O4/c1-5-7-14-29-25-18-22(19-26(32-25)36-4)28(35)31-23(17-21-12-10-9-11-13-21)24(33)16-20(3)27(34)30-15-8-6-2/h9-13,18-20,23-24,33H,5-8,14-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,35)/t20-,23+,24+/m1/s1 XXAQWIHKXZOYLW-QDSKXPNFSA-N 586689 BACE_20 Beta-secretase 1 Homo sapiens 770 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586689&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E4J 5QCR 146048092 475956297 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233500 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CC\C=C\CCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 InChI=1S/C29H47N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h6,8,12,14-15,18,21-23,26-27,30,33H,7,9-11,13,16-17,19-20H2,1-5H3,(H,31,35)/b8-6+/t22-,23+,26+,27-/m1/s1 IWENFKKPJGZOPT-ZGGZZQHLSA-N 586690 BACE_21 Beta-secretase 1 Homo sapiens 300 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612061 475956298 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233501 C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)c1cccc(Br)c1 InChI=1S/C27H44BrN3O3/c1-19-12-9-7-5-6-8-10-15-26(33)31(4)21(3)27(34)30-24(16-19)25(32)18-29-20(2)22-13-11-14-23(28)17-22/h11,13-14,17,19-21,24-25,29,32H,5-10,12,15-16,18H2,1-4H3,(H,30,34)/t19-,20+,21+,24+,25-/m1/s1 KEKUEVLVDYMVGD-GHOMIUGCSA-N 586694 BACE_22 Beta-secretase 1 Homo sapiens 55 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612063 475956302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233502 C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C InChI=1S/C31H52N4O3/c1-22-13-11-9-7-8-10-12-14-28(37)35(6)23(2)29(38)34-25(19-22)26(36)21-33-31(16-17-31)27-20-24(15-18-32-27)30(3,4)5/h15,18,20,22-23,25-26,33,36H,7-14,16-17,19,21H2,1-6H3,(H,34,38)/t22-,23+,25+,26-/m1/s1 QWIIOYUHSHEFDP-MFYWSIJSSA-N 586695 BACE_23 Beta-secretase 1 Homo sapiens 2.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68942010 475956303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233503 CCOc1ccc(c(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1)C(F)(F)F InChI=1S/C29H46F3N3O4/c1-5-39-23-14-15-24(29(30,31)32)22(17-23)18-33-19-26(36)25-16-20(2)12-10-8-6-7-9-11-13-27(37)35(4)21(3)28(38)34-25/h14-15,17,20-21,25-26,33,36H,5-13,16,18-19H2,1-4H3,(H,34,38)/t20-,21+,25+,26-/m1/s1 WRKJIVHZJFPMCR-YGKRLXNZSA-N 586696 BACE_24 Beta-secretase 1 Homo sapiens 53 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612064 475956304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233504 CC(C)Cc1cncc(CNC[C@@H](O)[C@@H]2C[C@H](C)CC\C=C\CCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 InChI=1S/C29H48N4O3/c1-21(2)14-24-16-25(18-30-17-24)19-31-20-27(34)26-15-22(3)12-10-8-6-7-9-11-13-28(35)33(5)23(4)29(36)32-26/h6,8,16-18,21-23,26-27,31,34H,7,9-15,19-20H2,1-5H3,(H,32,36)/b8-6+/t22-,23+,26+,27-/m1/s1 UOAIMFPGZHHOOS-ZGGZZQHLSA-N 586697 BACE_25 Beta-secretase 1 Homo sapiens 130 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612065 475956305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233505 CC(C)Cc1cncc(c1)C(C)(C)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 InChI=1S/C31H54N4O3/c1-22(2)16-25-18-26(20-32-19-25)31(5,6)33-21-28(36)27-17-23(3)14-12-10-8-9-11-13-15-29(37)35(7)24(4)30(38)34-27/h18-20,22-24,27-28,33,36H,8-17,21H2,1-7H3,(H,34,38)/t23-,24+,27+,28-/m1/s1 UPULFPMYDPEHHZ-YFQNEARWSA-N 586698 BACE_26 Beta-secretase 1 Homo sapiens 270 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612066 475956306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233506 C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1 InChI=1S/C30H54N4O4/c1-21-15-13-11-9-10-12-14-16-27(36)34(8)22(2)28(37)32-24(17-21)25(35)20-31-30(6,7)26-18-23(38-33-26)19-29(3,4)5/h18,21-22,24-25,31,35H,9-17,19-20H2,1-8H3,(H,32,37)/t21-,22+,24+,25-/m1/s1 CLUWBLNXFKEMJK-BPJRBCGYSA-N 586699 BACE_27 Beta-secretase 1 Homo sapiens 5.80 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612067 475956307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233507 C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cccc(Br)c1 InChI=1S/C28H46BrN3O3/c1-20-13-10-8-6-7-9-11-16-26(34)32(5)21(2)27(35)31-24(17-20)25(33)19-30-28(3,4)22-14-12-15-23(29)18-22/h12,14-15,18,20-21,24-25,30,33H,6-11,13,16-17,19H2,1-5H3,(H,31,35)/t20-,21+,24+,25-/m1/s1 LCTQBXDUWIYPJS-HWIPXOPOSA-N 586700 BACE_28 Beta-secretase 1 Homo sapiens 230 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612068 475956308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233508 C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc(CC(C)(C)C)on1 InChI=1S/C28H50N4O4/c1-20-13-11-9-7-8-10-12-14-26(34)32(6)21(2)27(35)30-24(15-20)25(33)19-29-18-22-16-23(36-31-22)17-28(3,4)5/h16,20-21,24-25,29,33H,7-15,17-19H2,1-6H3,(H,30,35)/t20-,21+,24+,25-/m1/s1 ATCGBECVUPMSQP-HWIPXOPOSA-N 586701 BACE_29 Beta-secretase 1 Homo sapiens 3.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612069 475956309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233509 C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)c1cc(CC(C)(C)C)on1 InChI=1S/C29H52N4O4/c1-20-14-12-10-8-9-11-13-15-27(35)33(7)22(3)28(36)31-25(16-20)26(34)19-30-21(2)24-17-23(37-32-24)18-29(4,5)6/h17,20-22,25-26,30,34H,8-16,18-19H2,1-7H3,(H,31,36)/t20-,21+,22+,25+,26-/m1/s1 CNBUCEDWOCWNJY-HCQBBNJVSA-N 586702 BACE_30 Beta-secretase 1 Homo sapiens 1.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612070 475956310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233510 C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1nnc(CC(C)(C)C)s1 InChI=1S/C29H53N5O3S/c1-20-15-13-11-9-10-12-14-16-25(36)34(8)21(2)26(37)31-22(17-20)23(35)19-30-29(6,7)27-33-32-24(38-27)18-28(3,4)5/h20-23,30,35H,9-19H2,1-8H3,(H,31,37)/t20-,21+,22+,23-/m1/s1 IJKDHSYZBJGHIC-WZYRSQIMSA-N 586703 BACE_31 Beta-secretase 1 Homo sapiens 240 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586703&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612071 475956311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233511 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)CC(=O)N2)c1 InChI=1S/C28H47N3O3/c1-21(2)24-14-11-13-23(17-24)18-29-19-26(32)25-16-22(3)12-9-7-5-6-8-10-15-28(34)31(4)20-27(33)30-25/h11,13-14,17,21-22,25-26,29,32H,5-10,12,15-16,18-20H2,1-4H3,(H,30,33)/t22-,25+,26-/m1/s1 JYMHSLFODNHBBA-ZSQFBXSQSA-N 586704 BACE_32 Beta-secretase 1 Homo sapiens 360 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612072 475956312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233512 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCC[C@H](C)CCC(=O)N(C)[C@@H](C)C(=O)N2)c1 InChI=1S/C30H51N3O3/c1-21(2)26-14-10-13-25(18-26)19-31-20-28(34)27-17-23(4)12-9-7-8-11-22(3)15-16-29(35)33(6)24(5)30(36)32-27/h10,13-14,18,21-24,27-28,31,34H,7-9,11-12,15-17,19-20H2,1-6H3,(H,32,36)/t22-,23+,24-,27-,28+/m0/s1 FVPYHEUHDCKEAD-KZEXJIRGSA-N 586705 BACE_33 Beta-secretase 1 Homo sapiens 19 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68545114 475956313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233513 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCOCC(=O)N(C)[C@@H](C)C(=O)N2)c1 InChI=1S/C27H45N3O4/c1-19(2)23-12-9-11-22(15-23)16-28-17-25(31)24-14-20(3)10-7-6-8-13-34-18-26(32)30(5)21(4)27(33)29-24/h9,11-12,15,19-21,24-25,28,31H,6-8,10,13-14,16-18H2,1-5H3,(H,29,33)/t20-,21+,24+,25-/m1/s1 LTVLLHIUZZKABV-HWIPXOPOSA-N 586707 BACE_34 Beta-secretase 1 Homo sapiens 1000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612073 475956315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233514 C[C@@H]1CCCCCCOCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNCc1cncc(Br)c1 InChI=1S/C24H39BrN4O4/c1-17-8-6-4-5-7-9-33-16-23(31)29(3)18(2)24(32)28-21(10-17)22(30)15-27-13-19-11-20(25)14-26-12-19/h11-12,14,17-18,21-22,27,30H,4-10,13,15-16H2,1-3H3,(H,28,32)/t17-,18+,21+,22-/m1/s1 PFOYHLZXYMIEEJ-JZZBYWGLSA-N 586708 BACE_35 Beta-secretase 1 Homo sapiens 510 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612074 475956316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233515 CC(C)Oc1ccc(cc1CNC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCOCC(=O)N(C)[C@@H](C)C(=O)N1)C1CC1 InChI=1S/C31H51N3O5/c1-21(2)39-29-14-13-25(24-11-12-24)17-26(29)18-32-19-28(35)27-16-22(3)10-8-6-7-9-15-38-20-30(36)34(5)23(4)31(37)33-27/h13-14,17,21-24,27-28,32,35H,6-12,15-16,18-20H2,1-5H3,(H,33,37)/t22-,23+,27+,28-/m1/s1 KWBBTODKRFIRLV-NAETUBRWSA-N 586709 BACE_36 Beta-secretase 1 Homo sapiens 1500 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612075 475956317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233516 C[C@@H]1CCCCCCNC(=O)C[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNCc1cccc(c1)C(C)(C)C InChI=1S/C28H47N3O3/c1-20-11-8-6-7-9-14-30-26(33)16-21(2)27(34)31-24(15-20)25(32)19-29-18-22-12-10-13-23(17-22)28(3,4)5/h10,12-13,17,20-21,24-25,29,32H,6-9,11,14-16,18-19H2,1-5H3,(H,30,33)(H,31,34)/t20-,21-,24+,25-/m1/s1 VFSIJRNGWJGNGS-KZKYLIHBSA-N 586710 BACE_37 Beta-secretase 1 Homo sapiens 5900 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612076 475956318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233517 C[C@@H]1CCCCCCCCS(=O)(=O)C[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C InChI=1S/C31H52N2O4S/c1-23-13-10-8-6-7-9-11-18-38(36,37)22-24(2)29(35)33-27(19-23)28(34)21-32-31(16-17-31)26-15-12-14-25(20-26)30(3,4)5/h12,14-15,20,23-24,27-28,32,34H,6-11,13,16-19,21-22H2,1-5H3,(H,33,35)/t23-,24-,27+,28-/m1/s1 ODGCZHAHMUEGOO-KSZYUSJVSA-N 586711 BACE_38 Beta-secretase 1 Homo sapiens 24 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25068752 475956319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233518 C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCS(=O)(=O)C[C@@H](C)C(=O)N1)c1cc(CC(C)(C)C)on1 InChI=1S/C28H51N3O5S/c1-20-13-11-9-7-8-10-12-14-37(34,35)19-21(2)27(33)30-25(15-20)26(32)18-29-22(3)24-16-23(36-31-24)17-28(4,5)6/h16,20-22,25-26,29,32H,7-15,17-19H2,1-6H3,(H,30,33)/t20-,21-,22+,25+,26-/m1/s1 ICJAYVKURWUIAG-DRQOZCJDSA-N 586713 BACE_39 Beta-secretase 1 Homo sapiens 21 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612077 475956321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233519 CCN1CCCCC[C@@H](C)C[C@H](NC(=O)c2cc(cc(c2)C1=O)-c1ncco1)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C34H46N4O4/c1-5-38-14-8-6-7-10-24(4)16-30(31(39)22-35-21-25-11-9-12-26(17-25)23(2)3)37-32(40)27-18-28(33-36-13-15-42-33)20-29(19-27)34(38)41/h9,11-13,15,17-20,23-24,30-31,35,39H,5-8,10,14,16,21-22H2,1-4H3,(H,37,40)/t24-,30+,31-/m1/s1 VEPTUKINQFMONH-XGJRVREISA-N 586714 BACE_40 Beta-secretase 1 Homo sapiens 3.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612078 475956322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233520 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCNc3cc(cc(C)n3)C(=O)N2)c1 InChI=1S/C30H46N4O2/c1-21(2)25-13-10-12-24(17-25)19-31-20-28(35)27-15-22(3)11-8-6-5-7-9-14-32-29-18-26(30(36)34-27)16-23(4)33-29/h10,12-13,16-18,21-22,27-28,31,35H,5-9,11,14-15,19-20H2,1-4H3,(H,32,33)(H,34,36)/t22-,27+,28-/m1/s1 RJCYRVMCBVJEKT-KKVCJECGSA-N 586715 BACE_41 Beta-secretase 1 Homo sapiens 29 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586715&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612079 475956323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233521 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCN(C)c3cc(ccn3)C(=O)N2)c1 InChI=1S/C30H46N4O2/c1-22(2)25-13-10-12-24(18-25)20-31-21-28(35)27-17-23(3)11-8-6-5-7-9-16-34(4)29-19-26(14-15-32-29)30(36)33-27/h10,12-15,18-19,22-23,27-28,31,35H,5-9,11,16-17,20-21H2,1-4H3,(H,33,36)/t23-,27+,28-/m1/s1 CAMKVFITCFUPFN-KEKPKEOLSA-N 586716 BACE_42 Beta-secretase 1 Homo sapiens 740 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612080 475956324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233522 COc1cc2cc(NCCCCCCC[C@@H](C)C[C@H](NC2=O)[C@H](O)CNCc2cccc(c2)C(C)C)n1 InChI=1S/C30H46N4O3/c1-21(2)24-13-10-12-23(16-24)19-31-20-27(35)26-15-22(3)11-8-6-5-7-9-14-32-28-17-25(30(36)33-26)18-29(34-28)37-4/h10,12-13,16-18,21-22,26-27,31,35H,5-9,11,14-15,19-20H2,1-4H3,(H,32,34)(H,33,36)/t22-,26+,27-/m1/s1 UXXRZEWGKXNAEO-VYCLJVNGSA-N 586717 BACE_43 Beta-secretase 1 Homo sapiens 14 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612081 475956325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233523 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCN(C)c3cc(cc(C)n3)C(=O)N2)c1 InChI=1S/C30H46N4O2/c1-21(2)25-13-10-12-24(17-25)19-31-20-28(35)27-15-22(3)11-8-6-7-9-14-34(5)29-18-26(30(36)33-27)16-23(4)32-29/h10,12-13,16-18,21-22,27-28,31,35H,6-9,11,14-15,19-20H2,1-5H3,(H,33,36)/t22-,27+,28-/m1/s1 XYECBUMMVADKHR-KKVCJECGSA-N 586718 BACE_44 Beta-secretase 1 Homo sapiens 2100 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612082 475956326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233524 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C\C(C)=C\CCCCCCNc3cc(cc(C)n3)C(=O)N2)c1 InChI=1S/C30H44N4O2/c1-21(2)25-13-10-12-24(17-25)19-31-20-28(35)27-15-22(3)11-8-6-5-7-9-14-32-29-18-26(30(36)34-27)16-23(4)33-29/h10-13,16-18,21,27-28,31,35H,5-9,14-15,19-20H2,1-4H3,(H,32,33)(H,34,36)/b22-11+/t27-,28+/m0/s1 RYKUKQNZLMAEPT-IAYOVPDSSA-N 586719 BACE_45 Beta-secretase 1 Homo sapiens 7.30 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586719&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612083 475956327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233525 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)C\C=C/CCCCNc3cc(cc(Cl)n3)C(=O)N2)c1 InChI=1S/C29H41ClN4O2/c1-20(2)23-12-9-11-22(15-23)18-31-19-26(35)25-14-21(3)10-7-5-4-6-8-13-32-28-17-24(29(36)33-25)16-27(30)34-28/h5,7,9,11-12,15-17,20-21,25-26,31,35H,4,6,8,10,13-14,18-19H2,1-3H3,(H,32,34)(H,33,36)/b7-5-/t21-,25+,26-/m1/s1 YXZQVRVJJBNCIA-SIWVOIQZSA-N 586720 BACE_46 Beta-secretase 1 Homo sapiens 9.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612084 475956328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233526 COCc1cc2cc(NCCCCOCC[C@@H](C)C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)(C)C)n1 InChI=1S/C33H50N4O4/c1-23-11-16-41-15-7-6-14-34-30-19-24(18-27(36-30)22-40-5)31(39)37-28(17-23)29(38)21-35-33(12-13-33)26-10-8-9-25(20-26)32(2,3)4/h8-10,18-20,23,28-29,35,38H,6-7,11-17,21-22H2,1-5H3,(H,34,36)(H,37,39)/t23-,28+,29-/m1/s1 ARTXFSUPESUEQC-LDVROUIZSA-N 586721 BACE_47 Beta-secretase 1 Homo sapiens 5.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68846371 475956329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233527 C[C@@H]1CCOCCCCNc2cc(cc(C)n2)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1 InChI=1S/C30H49N5O4/c1-20-10-13-38-12-9-8-11-31-27-16-22(15-21(2)33-27)28(37)34-24(14-20)25(36)19-32-30(6,7)26-17-23(39-35-26)18-29(3,4)5/h15-17,20,24-25,32,36H,8-14,18-19H2,1-7H3,(H,31,33)(H,34,37)/t20-,24+,25-/m1/s1 NGAFBYFOPYIECS-DCEDVJGZSA-N 586722 BACE_48 Beta-secretase 1 Homo sapiens 83 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612085 475956330 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233528 CC(C)c1cccc(CNC[C@@H](O)[C@H]2NC(=O)c3cc(Cl)nc(NCCCCOCC\C(C)=C\2)c3)c1 InChI=1S/C28H39ClN4O3/c1-19(2)22-8-6-7-21(14-22)17-30-18-25(34)24-13-20(3)9-12-36-11-5-4-10-31-27-16-23(28(35)32-24)15-26(29)33-27/h6-8,13-16,19,24-25,30,34H,4-5,9-12,17-18H2,1-3H3,(H,31,33)(H,32,35)/b20-13+/t24-,25+/m0/s1 YAYFDUCMAPWPSG-OCOMLLHLSA-N 586723 BACE_49 Beta-secretase 1 Homo sapiens 470 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612086 475956331 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233529 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCN(Nc3cc(cc(C)n3)C(=O)N2)C(=O)c2ccc(F)cc2)c1 InChI=1S/C36H48FN5O3/c1-24(2)29-12-9-11-27(20-29)22-38-23-33(43)32-18-25(3)10-7-5-6-8-17-42(36(45)28-13-15-31(37)16-14-28)41-34-21-30(35(44)40-32)19-26(4)39-34/h9,11-16,19-21,24-25,32-33,38,43H,5-8,10,17-18,22-23H2,1-4H3,(H,39,41)(H,40,44)/t25-,32+,33-/m1/s1 YISCOXKBOSSIPV-CBHGIOBQSA-N 586724 BACE_50 Beta-secretase 1 Homo sapiens 46 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612087 475956332 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233530 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCOc3cc(cc(Cl)n3)C(=O)N2)c1 InChI=1S/C29H42ClN3O3/c1-20(2)23-12-9-11-22(15-23)18-31-19-26(34)25-14-21(3)10-7-5-4-6-8-13-36-28-17-24(29(35)32-25)16-27(30)33-28/h9,11-12,15-17,20-21,25-26,31,34H,4-8,10,13-14,18-19H2,1-3H3,(H,32,35)/t21-,25+,26-/m1/s1 CSPOUGVIDNELTI-QGUKFAFCSA-N 586725 BACE_51 Beta-secretase 1 Homo sapiens 29 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612088 475956333 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233531 CC(C)c1ccnc(c1)C1(CC1)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCOc2cc(cc(Cl)n2)C(=O)N1 InChI=1S/C30H43ClN4O3/c1-20(2)22-10-13-32-26(16-22)30(11-12-30)33-19-25(36)24-15-21(3)9-7-5-4-6-8-14-38-28-18-23(29(37)34-24)17-27(31)35-28/h10,13,16-18,20-21,24-25,33,36H,4-9,11-12,14-15,19H2,1-3H3,(H,34,37)/t21-,24+,25-/m1/s1 NFWAKONHGULIBA-IEZKXTBUSA-N 586726 BACE_52 Beta-secretase 1 Homo sapiens 7.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87598576 475956334 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233532 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCc3cc(ccn3)C(=O)N2)c1 InChI=1S/C30H45N3O2/c1-22(2)25-13-10-12-24(18-25)20-31-21-29(34)28-17-23(3)11-8-6-4-5-7-9-14-27-19-26(15-16-32-27)30(35)33-28/h10,12-13,15-16,18-19,22-23,28-29,31,34H,4-9,11,14,17,20-21H2,1-3H3,(H,33,35)/t23-,28+,29-/m1/s1 QSDLDYCYXGSUOR-LDVROUIZSA-N 586727 BACE_53 Beta-secretase 1 Homo sapiens 10000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612089 475956335 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233533 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCOc3cc(cc(C)n3)C(=O)N2)c1 InChI=1S/C28H41N3O4/c1-19(2)23-8-5-7-22(15-23)17-29-18-26(32)25-13-20(3)9-12-34-10-6-11-35-27-16-24(28(33)31-25)14-21(4)30-27/h5,7-8,14-16,19-20,25-26,29,32H,6,9-13,17-18H2,1-4H3,(H,31,33)/t20-,25+,26-/m1/s1 JQBVOTZLIQMXAD-RFLWCCGPSA-N 586728 BACE_54 Beta-secretase 1 Homo sapiens 1700 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612090 475956336 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233534 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCNc2cccc(c2)C(=O)N1 InChI=1S/C32H49N3O2/c1-23(2)25-14-11-16-27(20-25)32(4,5)34-22-30(36)29-19-24(3)13-9-7-6-8-10-18-33-28-17-12-15-26(21-28)31(37)35-29/h11-12,14-17,20-21,23-24,29-30,33-34,36H,6-10,13,18-19,22H2,1-5H3,(H,35,37)/t24-,29+,30-/m1/s1 LSHJQSHMVKHCAM-NRSKXHDUSA-N 586729 BACE_55 Beta-secretase 1 Homo sapiens 540 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612091 475956337 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233535 C[C@@H]1CCCCCCCNc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(COC1)c1cccc(c1)C(C)(C)C InChI=1S/C33H49N3O3/c1-24-12-8-6-5-7-9-17-34-28-16-10-13-25(19-28)31(38)36-29(18-24)30(37)21-35-33(22-39-23-33)27-15-11-14-26(20-27)32(2,3)4/h10-11,13-16,19-20,24,29-30,34-35,37H,5-9,12,17-18,21-23H2,1-4H3,(H,36,38)/t24-,29+,30-/m1/s1 NRWZFVINCFKOAK-NRSKXHDUSA-N 586730 BACE_56 Beta-secretase 1 Homo sapiens 170 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612092 475956338 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233536 C[C@@H]1CCCCCCCNc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1 InChI=1S/C31H50N4O3/c1-22-13-10-8-7-9-11-16-32-24-15-12-14-23(18-24)29(37)34-26(17-22)27(36)21-33-31(5,6)28-19-25(38-35-28)20-30(2,3)4/h12,14-15,18-19,22,26-27,32-33,36H,7-11,13,16-17,20-21H2,1-6H3,(H,34,37)/t22-,26+,27-/m1/s1 YWKMICXCSCIAIZ-VYCLJVNGSA-N 586731 BACE_57 Beta-secretase 1 Homo sapiens 23 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612093 475956339 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233537 C[C@@H]1CCCCCCCNc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc([nH]n1)C(C)(C)C InChI=1S/C28H45N5O2/c1-20-11-8-6-5-7-9-14-30-22-13-10-12-21(16-22)27(35)31-24(15-20)25(34)19-29-18-23-17-26(33-32-23)28(2,3)4/h10,12-13,16-17,20,24-25,29-30,34H,5-9,11,14-15,18-19H2,1-4H3,(H,31,35)(H,32,33)/t20-,24+,25-/m1/s1 FJWFEIGCJWJNDI-DCEDVJGZSA-N 586732 BACE_58 Beta-secretase 1 Homo sapiens 1900 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612094 475956340 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233538 C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)-c1ncco1 InChI=1S/C35H49N5O3/c1-24-10-8-6-5-7-9-14-36-28-20-25(19-26(21-28)33-38-16-17-43-33)32(42)40-29(18-24)30(41)23-39-35(12-13-35)31-22-27(11-15-37-31)34(2,3)4/h11,15-17,19-22,24,29-30,36,39,41H,5-10,12-14,18,23H2,1-4H3,(H,40,42)/t24-,29+,30-/m1/s1 PDDZLXBBASGEGU-NRSKXHDUSA-N 586733 BACE_59 Beta-secretase 1 Homo sapiens 1.70 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586733&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68847348 475956341 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233539 COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(COC1)c1cccc(c1)C(C)(C)C InChI=1S/C35H53N3O4/c1-25-12-9-7-6-8-10-15-36-30-18-26(22-41-5)17-27(19-30)33(40)38-31(16-25)32(39)21-37-35(23-42-24-35)29-14-11-13-28(20-29)34(2,3)4/h11,13-14,17-20,25,31-32,36-37,39H,6-10,12,15-16,21-24H2,1-5H3,(H,38,40)/t25-,31+,32-/m1/s1 XIISIWNWXYAWNZ-JHIPEVQNSA-N 586734 BACE_60 Beta-secretase 1 Homo sapiens 33 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612095 475956342 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233540 COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(OC)cc(OC)c1 InChI=1S/C31H47N3O5/c1-22-10-8-6-5-7-9-11-33-26-14-24(21-37-2)13-25(17-26)31(36)34-29(12-22)30(35)20-32-19-23-15-27(38-3)18-28(16-23)39-4/h13-18,22,29-30,32-33,35H,5-12,19-21H2,1-4H3,(H,34,36)/t22-,29+,30-/m1/s1 BYCAWUMBDHSAHX-ZDERHKTGSA-N 586735 BACE_61 Beta-secretase 1 Homo sapiens 1500 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612096 475956343 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233541 COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1ccc2OCCCOc2c1 InChI=1S/C32H47N3O5/c1-23-9-6-4-3-5-7-12-34-27-17-25(22-38-2)16-26(19-27)32(37)35-28(15-23)29(36)21-33-20-24-10-11-30-31(18-24)40-14-8-13-39-30/h10-11,16-19,23,28-29,33-34,36H,3-9,12-15,20-22H2,1-2H3,(H,35,37)/t23-,28+,29-/m1/s1 ZSLFEYAGMYMGGU-LDVROUIZSA-N 586736 BACE_62 Beta-secretase 1 Homo sapiens 3400 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586736&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612097 475956344 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233542 COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(cc12)C(C)C InChI=1S/C36H55N3O4/c1-24(2)27-13-14-34-30(20-27)32(21-36(4,5)43-34)38-22-33(40)31-16-25(3)12-10-8-7-9-11-15-37-29-18-26(23-42-6)17-28(19-29)35(41)39-31/h13-14,17-20,24-25,31-33,37-38,40H,7-12,15-16,21-23H2,1-6H3,(H,39,41)/t25-,31+,32+,33-/m1/s1 SLUUSXDIBUVQQX-JMHOIKKCSA-N 586737 BACE_63 Beta-secretase 1 Homo sapiens 1.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612098 475956345 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233543 CCCc1cc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCNc3cc(COC)cc(c3)C(=O)N2)no1 InChI=1S/C29H46N4O4/c1-4-10-26-17-25(33-37-26)18-30-19-28(34)27-13-21(2)11-8-6-5-7-9-12-31-24-15-22(20-36-3)14-23(16-24)29(35)32-27/h14-17,21,27-28,30-31,34H,4-13,18-20H2,1-3H3,(H,32,35)/t21-,27+,28-/m1/s1 UNWGXYHQPAIEOF-AOLGGSBGSA-N 586738 BACE_64 Beta-secretase 1 Homo sapiens 570 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612099 475956346 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233544 COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCCc1ccncc1 InChI=1S/C29H44N4O3/c1-22-8-6-4-3-5-7-12-32-26-18-24(21-36-2)17-25(19-26)29(35)33-27(16-22)28(34)20-31-15-11-23-9-13-30-14-10-23/h9-10,13-14,17-19,22,27-28,31-32,34H,3-8,11-12,15-16,20-21H2,1-2H3,(H,33,35)/t22-,27+,28-/m1/s1 RETGFTQMTQFDOX-KKVCJECGSA-N 586739 BACE_65 Beta-secretase 1 Homo sapiens 1700 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612100 475956347 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233545 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CC\C=C\CCCNc3cc(CO)cc(c3)C(=O)N2)c1 InChI=1S/C31H45N3O3/c1-22(2)26-12-9-11-24(15-26)19-32-20-30(36)29-14-23(3)10-7-5-4-6-8-13-33-28-17-25(21-35)16-27(18-28)31(37)34-29/h4-5,9,11-12,15-18,22-23,29-30,32-33,35-36H,6-8,10,13-14,19-21H2,1-3H3,(H,34,37)/b5-4+/t23-,29+,30-/m1/s1 KHWHRYBIKPUTON-NEPPCMJUSA-N 586740 BACE_66 Beta-secretase 1 Homo sapiens 350 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586740&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612101 475956348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233546 C[C@@H]1CC\C=C\CCCNc2cc(CO)cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc(CC(C)(C)C)on1 InChI=1S/C30H46N4O4/c1-21-10-8-6-5-7-9-11-32-24-14-22(20-35)13-23(15-24)29(37)33-27(12-21)28(36)19-31-18-25-16-26(38-34-25)17-30(2,3)4/h5-6,13-16,21,27-28,31-32,35-36H,7-12,17-20H2,1-4H3,(H,33,37)/b6-5+/t21-,27+,28-/m1/s1 AUFHXAHRQACKND-SJGSBNSDSA-N 586741 BACE_67 Beta-secretase 1 Homo sapiens 210 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586741&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612102 475956349 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233547 C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C)C(=O)N(C)C InChI=1S/C36H54N4O3/c1-25-13-10-8-7-9-11-18-37-30-21-26(20-27(22-30)34(43)40(5)6)33(42)39-31(19-25)32(41)24-38-36(16-17-36)29-15-12-14-28(23-29)35(2,3)4/h12,14-15,20-23,25,31-32,37-38,41H,7-11,13,16-19,24H2,1-6H3,(H,39,42)/t25-,31+,32-/m1/s1 AIVUZAAEELKUSZ-JHIPEVQNSA-N 586742 BACE_68 Beta-secretase 1 Homo sapiens 1.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586742&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 25059190 475956350 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233548 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCN(c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)S(C)(=O)=O)c1 InChI=1S/C33H52N4O6S2/c1-24(2)27-15-12-14-26(18-27)22-34-23-32(38)31-17-25(3)13-10-8-7-9-11-16-37(45(6,42)43)30-20-28(33(39)35-31)19-29(21-30)36(4)44(5,40)41/h12,14-15,18-21,24-25,31-32,34,38H,7-11,13,16-17,22-23H2,1-6H3,(H,35,39)/t25-,31+,32-/m1/s1 PMXGAKZQXJAYBX-JHIPEVQNSA-N 586743 BACE_69 Beta-secretase 1 Homo sapiens 1900 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586743&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612103 475956351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233549 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCNc2cccc(n2)C(=O)N1 InChI=1S/C31H48N4O2/c1-22(2)24-14-11-15-25(20-24)31(4,5)33-21-28(36)27-19-23(3)13-9-7-6-8-10-18-32-29-17-12-16-26(34-29)30(37)35-27/h11-12,14-17,20,22-23,27-28,33,36H,6-10,13,18-19,21H2,1-5H3,(H,32,34)(H,35,37)/t23-,27+,28-/m1/s1 LLAWQZBOXKZHBD-KEKPKEOLSA-N 586744 BACE_70 Beta-secretase 1 Homo sapiens 2900 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586744&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612104 475956352 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233550 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@@H]3CC[C@@H](C3)CCCCCNc3cc(cc(c3)C(F)(F)F)C(=O)N2)c1 InChI=1S/C32H44F3N3O2/c1-21(2)25-9-6-8-24(14-25)19-36-20-30(39)29-15-23-11-10-22(13-23)7-4-3-5-12-37-28-17-26(31(40)38-29)16-27(18-28)32(33,34)35/h6,8-9,14,16-18,21-23,29-30,36-37,39H,3-5,7,10-13,15,19-20H2,1-2H3,(H,38,40)/t22-,23+,29-,30+/m0/s1 VWCUREQXJQVWNB-WZQNMIHXSA-N 586745 BACE_71 Beta-secretase 1 Homo sapiens 340 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586745&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612105 475956353 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233551 CCOc1ccc(c(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCCNc3cccc(c3)C(=O)N2)c1)C(F)(F)F InChI=1S/C29H40F3N3O4/c1-3-39-24-9-10-25(29(30,31)32)22(17-24)18-33-19-27(36)26-15-20(2)11-14-38-13-5-4-12-34-23-8-6-7-21(16-23)28(37)35-26/h6-10,16-17,20,26-27,33-34,36H,3-5,11-15,18-19H2,1-2H3,(H,35,37)/t20-,26+,27-/m1/s1 ASOZQHVYNZUIHY-JAMKYWPSSA-N 586746 BACE_72 Beta-secretase 1 Homo sapiens 8900 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586746&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612106 475956354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233552 CCOc1cc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCCNc3cccc(c3)C(=O)N2)cc(c1)C(F)(F)F InChI=1S/C29H40F3N3O4/c1-3-39-25-15-21(14-23(17-25)29(30,31)32)18-33-19-27(36)26-13-20(2)9-12-38-11-5-4-10-34-24-8-6-7-22(16-24)28(37)35-26/h6-8,14-17,20,26-27,33-34,36H,3-5,9-13,18-19H2,1-2H3,(H,35,37)/t20-,26+,27-/m1/s1 ZGZOVAFHWJWRJH-JAMKYWPSSA-N 586747 BACE_73 Beta-secretase 1 Homo sapiens 6300 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586747&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612107 475956355 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233553 C[C@@H]1CCOCCCCNc2cc(ccc2Cl)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc(ccn1)C(C)(C)C InChI=1S/C29H43ClN4O3/c1-20-10-14-37-13-6-5-11-33-25-16-21(7-8-24(25)30)28(36)34-26(15-20)27(35)19-31-18-23-17-22(9-12-32-23)29(2,3)4/h7-9,12,16-17,20,26-27,31,33,35H,5-6,10-11,13-15,18-19H2,1-4H3,(H,34,36)/t20-,26+,27-/m1/s1 VGCAAGZBDNQRCO-JAMKYWPSSA-N 586748 BACE_74 Beta-secretase 1 Homo sapiens 150 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586748&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612108 475956356 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233554 COCc1cc2NC\C=C/COCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C InChI=1S/C34H49N3O4/c1-24-11-16-41-15-7-6-14-35-29-19-25(23-40-5)18-26(20-29)32(39)37-30(17-24)31(38)22-36-34(12-13-34)28-10-8-9-27(21-28)33(2,3)4/h6-10,18-21,24,30-31,35-36,38H,11-17,22-23H2,1-5H3,(H,37,39)/b7-6-/t24-,30+,31-/m1/s1 LCMZFDARTOTYCQ-QSQVDNEHSA-N 586749 BACE_75 Beta-secretase 1 Homo sapiens 60 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586749&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612109 475956357 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233555 COCc1cc2NCCCCOCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(ccc1F)C(F)(F)F InChI=1S/C29H39F4N3O4/c1-19-7-10-40-9-4-3-8-35-24-13-20(18-39-2)12-21(15-24)28(38)36-26(11-19)27(37)17-34-16-22-14-23(29(31,32)33)5-6-25(22)30/h5-6,12-15,19,26-27,34-35,37H,3-4,7-11,16-18H2,1-2H3,(H,36,38)/t19-,26+,27-/m1/s1 KFNXOFNHWWLEBE-PGMDNKBISA-N 586750 BACE_76 Beta-secretase 1 Homo sapiens 5600 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586750&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612110 475956358 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233556 COCc1cc2NCCCCOC\C=C(C)\C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C InChI=1S/C33H47N3O4/c1-23(2)26-8-7-9-28(19-26)33(11-12-33)35-21-31(37)30-16-24(3)10-15-40-14-6-5-13-34-29-18-25(22-39-4)17-27(20-29)32(38)36-30/h7-10,17-20,23,30-31,34-35,37H,5-6,11-16,21-22H2,1-4H3,(H,36,38)/b24-10+/t30-,31+/m0/s1 SEGRPMAWJGXWBS-HQRXGKGOSA-N 586751 BACE_77 Beta-secretase 1 Homo sapiens 79 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586751&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612111 475956359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233557 C[C@@H]1CCCCCCCOc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNCc1cncc(CC(C)(C)C)c1 InChI=1S/C31H47N3O3/c1-23-11-8-6-5-7-9-14-37-27-13-10-12-26(17-27)30(36)34-28(15-23)29(35)22-33-21-25-16-24(19-32-20-25)18-31(2,3)4/h10,12-13,16-17,19-20,23,28-29,33,35H,5-9,11,14-15,18,21-22H2,1-4H3,(H,34,36)/t23-,28+,29-/m1/s1 IWBOQTQQGRNWOP-LDVROUIZSA-N 586752 BACE_78 Beta-secretase 1 Homo sapiens 880 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586752&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612112 475956360 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233558 C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCOc2cccc(c2)C(=O)N1)c1cc(CC(C)(C)C)on1 InChI=1S/C30H47N3O4/c1-21-12-9-7-6-8-10-15-36-24-14-11-13-23(17-24)29(35)32-27(16-21)28(34)20-31-22(2)26-18-25(37-33-26)19-30(3,4)5/h11,13-14,17-18,21-22,27-28,31,34H,6-10,12,15-16,19-20H2,1-5H3,(H,32,35)/t21-,22+,27+,28-/m1/s1 DMJIIOHJKRNDJJ-BYXJMBFLSA-N 586753 BACE_79 Beta-secretase 1 Homo sapiens 300 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612113 475956361 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233559 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCOc3cc(cc(c3)C(=O)N2)-c2ncco2)c1 InChI=1S/C33H45N3O4/c1-23(2)26-12-9-11-25(17-26)21-34-22-31(37)30-16-24(3)10-7-5-4-6-8-14-39-29-19-27(32(38)36-30)18-28(20-29)33-35-13-15-40-33/h9,11-13,15,17-20,23-24,30-31,34,37H,4-8,10,14,16,21-22H2,1-3H3,(H,36,38)/t24-,30+,31-/m1/s1 MXQAURLKCWDAOZ-XGJRVREISA-N 586754 BACE_80 Beta-secretase 1 Homo sapiens 68 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612114 475956362 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233560 C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)-c1ncco1 InChI=1S/C35H48N4O4/c1-24-10-8-6-5-7-9-16-42-28-20-25(19-26(21-28)33-37-15-17-43-33)32(41)39-29(18-24)30(40)23-38-35(12-13-35)31-22-27(11-14-36-31)34(2,3)4/h11,14-15,17,19-22,24,29-30,38,40H,5-10,12-13,16,18,23H2,1-4H3,(H,39,41)/t24-,29+,30-/m1/s1 VYXLJNHWCRSQIB-NRSKXHDUSA-N 586755 BACE_81 Beta-secretase 1 Homo sapiens 8.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68846587 475956363 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233561 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCOc3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 InChI=1S/C32H49N3O5S/c1-23(2)26-14-11-13-25(17-26)21-33-22-31(36)30-16-24(3)12-9-7-6-8-10-15-40-29-19-27(32(37)34-30)18-28(20-29)35(4)41(5,38)39/h11,13-14,17-20,23-24,30-31,33,36H,6-10,12,15-16,21-22H2,1-5H3,(H,34,37)/t24-,30+,31-/m1/s1 SQSBYPNNYQWJAY-XGJRVREISA-N 586756 BACE_82 Beta-secretase 1 Homo sapiens 11 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586756&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612115 475956364 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233562 C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)C(=O)N(C)C InChI=1S/C35H52N4O4/c1-24-12-10-8-7-9-11-17-43-28-20-25(19-26(21-28)33(42)39(5)6)32(41)38-29(18-24)30(40)23-37-35(14-15-35)31-22-27(13-16-36-31)34(2,3)4/h13,16,19-22,24,29-30,37,40H,7-12,14-15,17-18,23H2,1-6H3,(H,38,41)/t24-,29+,30-/m1/s1 QBZRHYWSVVQODC-NRSKXHDUSA-N 586757 BACE_83 Beta-secretase 1 Homo sapiens 6.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586757&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68848987 475956365 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233563 C[C@@H]1CCCCCCCOc2cc(ccn2)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1 InChI=1S/C30H48N4O4/c1-21-12-10-8-7-9-11-15-37-27-17-22(13-14-31-27)28(36)33-24(16-21)25(35)20-32-30(5,6)26-18-23(38-34-26)19-29(2,3)4/h13-14,17-18,21,24-25,32,35H,7-12,15-16,19-20H2,1-6H3,(H,33,36)/t21-,24+,25-/m1/s1 IDYABOLZQJTMSQ-IEZKXTBUSA-N 586758 BACE_84 Beta-secretase 1 Homo sapiens 31 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586758&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612116 475956366 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233564 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N3CCCC[C@H]3C(=O)N2)c1 InChI=1S/C31H51N3O3/c1-23(2)26-15-12-14-25(20-26)21-32-22-29(35)27-19-24(3)13-8-6-4-5-7-9-17-30(36)34-18-11-10-16-28(34)31(37)33-27/h12,14-15,20,23-24,27-29,32,35H,4-11,13,16-19,21-22H2,1-3H3,(H,33,37)/t24-,27+,28+,29-/m1/s1 BZGQJXAUEHPIFK-ZLPBPMGLSA-N 586759 BACE_85 Beta-secretase 1 Homo sapiens 1500 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586759&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612117 475956367 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233565 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCC[C@@]3(O)CCC[C@H](C3)C(=O)N2)c1 InChI=1S/C31H52N2O3/c1-23(2)26-14-10-13-25(19-26)21-32-22-29(34)28-18-24(3)12-8-6-4-5-7-9-16-31(36)17-11-15-27(20-31)30(35)33-28/h10,13-14,19,23-24,27-29,32,34,36H,4-9,11-12,15-18,20-22H2,1-3H3,(H,33,35)/t24-,27-,28+,29-,31-/m1/s1 IAEDOOOITOBRIQ-VEZAKBLNSA-N 586760 BACE_86 Beta-secretase 1 Homo sapiens 1700 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586760&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612118 475956368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233566 C[C@@H]1N(C)C(=O)CCCCCCc2cccc(C[C@H](NC1=O)[C@H](O)CNCc1cncc(c1)C1CC1)c2 InChI=1S/C30H42N4O3/c1-21-30(37)33-27(28(35)20-32-18-24-15-26(19-31-17-24)25-12-13-25)16-23-10-7-9-22(14-23)8-5-3-4-6-11-29(36)34(21)2/h7,9-10,14-15,17,19,21,25,27-28,32,35H,3-6,8,11-13,16,18,20H2,1-2H3,(H,33,37)/t21-,27-,28+/m0/s1 BAQXYISOSQIAJK-YNOBPPCASA-N 586761 BACE_87 Beta-secretase 1 Homo sapiens 1100 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586761&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67374218 475956369 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233567 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3ccc(O)c(Cc4ccccc4OCC(=O)N[C@@H](C)C(=O)N2)c3)c1 InChI=1S/C32H39N3O5/c1-20(2)24-9-6-7-23(14-24)17-33-18-29(37)27-15-22-11-12-28(36)26(13-22)16-25-8-4-5-10-30(25)40-19-31(38)34-21(3)32(39)35-27/h4-14,20-21,27,29,33,36-37H,15-19H2,1-3H3,(H,34,38)(H,35,39)/t21-,27-,29+/m0/s1 OWRZLODMJCYAKW-DGYBNRFQSA-N 586762 BACE_88 Beta-secretase 1 Homo sapiens 4300 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586762&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612119 475956370 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233568 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCO[C@H]4CCN(CC(=O)N2)C4=O)c3)c1 InChI=1S/C30H41N3O5/c1-21(2)24-9-5-8-23(15-24)18-31-19-27(34)26-17-22-7-6-10-25(16-22)37-13-3-4-14-38-28-11-12-33(30(28)36)20-29(35)32-26/h5-10,15-16,21,26-28,31,34H,3-4,11-14,17-20H2,1-2H3,(H,32,35)/t26-,27+,28-/m0/s1 FLRDXSOYAVJDQZ-IARZGTGTSA-N 586763 BACE_89 Beta-secretase 1 Homo sapiens 260 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586763&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612120 475956371 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233569 C[C@@H]1N(C)C(=O)CCCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNC1(CC1)c1cccc(Br)c1)c2 InChI=1S/C29H38BrN3O4/c1-20-28(36)32-25(26(34)19-31-29(13-14-29)22-9-7-10-23(30)18-22)17-21-8-6-11-24(16-21)37-15-5-3-4-12-27(35)33(20)2/h6-11,16,18,20,25-26,31,34H,3-5,12-15,17,19H2,1-2H3,(H,32,36)/t20-,25-,26+/m0/s1 ZEDAQZPNDORIEV-YMSRPXOMSA-N 586764 BACE_90 Beta-secretase 1 Homo sapiens 170 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586764&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11527048 475956372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233570 CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(OCCCCCC(=O)N(C)[C@@H](C)C(=O)N3)c4)c2c1 InChI=1S/C34H49N3O5/c1-22(2)25-14-15-31-27(19-25)29(20-34(4,5)42-31)35-21-30(38)28-18-24-11-10-12-26(17-24)41-16-9-7-8-13-32(39)37(6)23(3)33(40)36-28/h10-12,14-15,17,19,22-23,28-30,35,38H,7-9,13,16,18,20-21H2,1-6H3,(H,36,40)/t23-,28-,29-,30+/m0/s1 FZHWZSDEXWGVHE-WBWZXODPSA-N 586765 BACE_91 Beta-secretase 1 Homo sapiens 2.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586765&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67372749 475956373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233571 C[C@@H]1CC(=O)NCCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNCc1cccc(c1)C(C)(C)C)c2 InChI=1S/C30H43N3O4/c1-21-15-28(35)32-13-5-6-14-37-25-12-8-9-22(17-25)18-26(33-29(21)36)27(34)20-31-19-23-10-7-11-24(16-23)30(2,3)4/h7-12,16-17,21,26-27,31,34H,5-6,13-15,18-20H2,1-4H3,(H,32,35)(H,33,36)/t21-,26+,27-/m1/s1 BERWEADBUJLVLA-COFKYPDJSA-N 586766 BACE_92 Beta-secretase 1 Homo sapiens 69 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67375228 475956374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233572 C[C@@H]1CC(=O)NCCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C)c2 InChI=1S/C35H51N3O4/c1-25-20-32(40)36-18-8-9-19-42-29-15-10-12-26(21-29)22-30(38-33(25)41)31(39)24-37-35(16-6-5-7-17-35)28-14-11-13-27(23-28)34(2,3)4/h10-15,21,23,25,30-31,37,39H,5-9,16-20,22,24H2,1-4H3,(H,36,40)(H,38,41)/t25-,30+,31-/m1/s1 MXIJYHFPNNRHQO-SDDUWZMOSA-N 586767 BACE_93 Beta-secretase 1 Homo sapiens 10.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612121 475956375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233573 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCS(=O)(=O)C[C@@H](C)C(=O)N2)c3)c1 InChI=1S/C28H40N2O5S/c1-20(2)24-10-6-9-23(14-24)17-29-18-27(31)26-16-22-8-7-11-25(15-22)35-12-4-5-13-36(33,34)19-21(3)28(32)30-26/h6-11,14-15,20-21,26-27,29,31H,4-5,12-13,16-19H2,1-3H3,(H,30,32)/t21-,26+,27-/m1/s1 RBAAWWNMKSIOSX-COFKYPDJSA-N 586768 BACE_94 Beta-secretase 1 Homo sapiens 29 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11713298 475956376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233574 C[C@@H]1CS(=O)(=O)CCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNC1(CC1)c1cccc(Br)c1)c2 InChI=1S/C27H35BrN2O5S/c1-19-18-36(33,34)13-3-2-12-35-23-9-4-6-20(14-23)15-24(30-26(19)32)25(31)17-29-27(10-11-27)21-7-5-8-22(28)16-21/h4-9,14,16,19,24-25,29,31H,2-3,10-13,15,17-18H2,1H3,(H,30,32)/t19-,24+,25-/m1/s1 KLKUOEWRSIBYMQ-BTZRARBUSA-N 586769 BACE_95 Beta-secretase 1 Homo sapiens 68 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11671462 475956377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233575 CC(C)(C)Cc1cc(no1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(Cl)cc(c3)C(=O)N1)c2 InChI=1S/C32H42ClN3O5/c1-31(2,3)19-26-18-29(36-41-26)32(4,5)34-20-28(37)27-14-21-9-8-10-24(13-21)39-11-6-7-12-40-25-16-22(30(38)35-27)15-23(33)17-25/h8-10,13,15-18,27-28,34,37H,6-7,11-12,14,19-20H2,1-5H3,(H,35,38)/t27-,28+/m0/s1 GOGZPPMSAVHLGC-WUFINQPMSA-N 586770 BACE_96 Beta-secretase 1 Homo sapiens 8.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612122 475956378 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233576 Cc1cc2cc(NCCCCc3cccc(C[C@H](NC2=O)[C@H](O)CNCc2cc(ccn2)C(C)(C)C)c3)n1 InChI=1S/C31H41N5O2/c1-21-14-24-17-29(35-21)34-12-6-5-8-22-9-7-10-23(15-22)16-27(36-30(24)38)28(37)20-32-19-26-18-25(11-13-33-26)31(2,3)4/h7,9-11,13-15,17-18,27-28,32,37H,5-6,8,12,16,19-20H2,1-4H3,(H,34,35)(H,36,38)/t27-,28+/m0/s1 XSPSTWCOMUYRSI-WUFINQPMSA-N 586771 BACE_97 Beta-secretase 1 Homo sapiens 3.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612123 475956379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233577 CC(C)c1ccnc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(cc(Cl)n3)C(=O)N1)c2 InChI=1S/C31H38ClN5O2/c1-20(2)23-9-13-33-27(16-23)31(10-11-31)35-19-26(38)25-15-22-8-5-7-21(14-22)6-3-4-12-34-29-18-24(30(39)36-25)17-28(32)37-29/h5,7-9,13-14,16-18,20,25-26,35,38H,3-4,6,10-12,15,19H2,1-2H3,(H,34,37)(H,36,39)/t25-,26+/m0/s1 VWFUGLIUMINBMZ-IZZNHLLZSA-N 586772 BACE_98 Beta-secretase 1 Homo sapiens 0.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87401153 475956380 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233578 COc1cc2cc(n1)N(C)CCCCc1cccc(C[C@H](NC2=O)[C@H](O)CNCc2cccc(c2)C(C)C)c1 InChI=1S/C32H42N4O3/c1-22(2)26-13-8-12-25(16-26)20-33-21-29(37)28-17-24-11-7-10-23(15-24)9-5-6-14-36(3)30-18-27(32(38)34-28)19-31(35-30)39-4/h7-8,10-13,15-16,18-19,22,28-29,33,37H,5-6,9,14,17,20-21H2,1-4H3,(H,34,38)/t28-,29+/m0/s1 FOGRNTICPQBFIR-URLMMPGGSA-N 586773 BACE_99 Beta-secretase 1 Homo sapiens 89 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69224459 475956381 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233579 COc1ccc2C[C@H](NC(=O)c3cc(Cl)nc(NCCCCOc1c2)c3)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C31H39ClN4O4/c1-20(2)23-8-6-7-22(13-23)18-33-19-26(37)25-14-21-9-10-27(39-3)28(15-21)40-12-5-4-11-34-30-17-24(31(38)35-25)16-29(32)36-30/h6-10,13,15-17,20,25-26,33,37H,4-5,11-12,14,18-19H2,1-3H3,(H,34,36)(H,35,38)/t25-,26+/m0/s1 RHVUISYRCVSZAP-IZZNHLLZSA-N 586774 BACE_100 Beta-secretase 1 Homo sapiens 39 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87740971 475956382 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233580 CC(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCN(C(C)=O)c4cc(cc(C)n4)C(=O)N2)c3)c1 InChI=1S/C32H41N5O4/c1-21(2)25-10-11-34-27(17-25)19-33-20-30(39)29-16-24-8-7-9-28(15-24)41-13-6-5-12-37(23(4)38)31-18-26(32(40)36-29)14-22(3)35-31/h7-11,14-15,17-18,21,29-30,33,39H,5-6,12-13,16,19-20H2,1-4H3,(H,36,40)/t29-,30+/m0/s1 IAFYPEHDCRPFRZ-XZWHSSHBSA-N 586775 BACE_101 Beta-secretase 1 Homo sapiens 5500 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69226416 475956383 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233581 Cc1cc2cc(NC\C=C/COc3cc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)(C)C)ccc3F)n1 InChI=1S/C34H41FN4O3/c1-22-16-24-19-31(38-22)36-14-5-6-15-42-30-18-23(10-11-27(30)35)17-28(39-32(24)41)29(40)21-37-34(12-13-34)26-9-7-8-25(20-26)33(2,3)4/h5-11,16,18-20,28-29,37,40H,12-15,17,21H2,1-4H3,(H,36,38)(H,39,41)/b6-5-/t28-,29+/m0/s1 PYMOGPKJVLVBLX-UJSKRWJESA-N 586776 BACE_102 Beta-secretase 1 Homo sapiens 100 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87402218 475956384 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233582 CC(C)(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(OC\C=C/CNc4cc(cc(Cl)n4)C(=O)N2)c3)c1 InChI=1S/C30H36ClN5O3/c1-30(2,3)22-9-11-33-23(17-22)18-32-19-26(37)25-14-20-7-6-8-24(13-20)39-12-5-4-10-34-28-16-21(29(38)35-25)15-27(31)36-28/h4-9,11,13,15-17,25-26,32,37H,10,12,14,18-19H2,1-3H3,(H,34,36)(H,35,38)/b5-4-/t25-,26+/m0/s1 JWJHXHIOINQCAJ-NYBFDSEZSA-N 586777 BACE_103 Beta-secretase 1 Homo sapiens 89 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87742141 475956385 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233583 NC[C@@H](O)[C@@H]1Cc2cccc(OC\C=C/CNc3cc(cc(Cl)n3)C(=O)N1)c2 InChI=1S/C20H23ClN4O3/c21-18-10-14-11-19(25-18)23-6-1-2-7-28-15-5-3-4-13(8-15)9-16(17(26)12-22)24-20(14)27/h1-5,8,10-11,16-17,26H,6-7,9,12,22H2,(H,23,25)(H,24,27)/b2-1-/t16-,17+/m0/s1 OKCCRTUONGUJSB-LEYPSHCCSA-N 586778 BACE_104 Beta-secretase 1 Homo sapiens 40000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87742247 475956386 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233584 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cc(C)cc(OCCCCNc4cc(cc(Cl)n4)C(=O)N2)c3)c1 InChI=1S/C31H39ClN4O3/c1-20(2)24-8-6-7-22(13-24)18-33-19-28(37)27-15-23-11-21(3)12-26(14-23)39-10-5-4-9-34-30-17-25(31(38)35-27)16-29(32)36-30/h6-8,11-14,16-17,20,27-28,33,37H,4-5,9-10,15,18-19H2,1-3H3,(H,34,36)(H,35,38)/t27-,28+/m0/s1 LDOHDRJSTZHQOZ-WUFINQPMSA-N 586779 BACE_105 Beta-secretase 1 Homo sapiens 68 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87741735 475956387 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233585 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCOc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C33H43N3O3/c1-22(2)26-13-9-14-28(19-26)33(4,5)34-21-30(37)29-18-25-12-8-11-24(17-25)10-6-7-15-39-31-20-27(32(38)36-29)16-23(3)35-31/h8-9,11-14,16-17,19-20,22,29-30,34,37H,6-7,10,15,18,21H2,1-5H3,(H,36,38)/t29-,30+/m0/s1 SFFUNMKVXFMFEC-XZWHSSHBSA-N 586780 BACE_106 Beta-secretase 1 Homo sapiens 150 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612124 475956388 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233586 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cc(Cl)c(O)c(CCCCOc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C33H42ClN3O4/c1-20(2)23-10-8-11-26(17-23)33(4,5)35-19-29(38)28-16-22-14-24(31(39)27(34)15-22)9-6-7-12-41-30-18-25(32(40)37-28)13-21(3)36-30/h8,10-11,13-15,17-18,20,28-29,35,38-39H,6-7,9,12,16,19H2,1-5H3,(H,37,40)/t28-,29+/m0/s1 MWLWGQDZIUTHRX-URLMMPGGSA-N 586781 BACE_107 Beta-secretase 1 Homo sapiens 47 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612125 475956389 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233587 Cc1cc2cc(OCCCCc3cc(C[C@H](NC2=O)[C@H](O)CNC(C)(C)c2cc(CC(C)(C)C)on2)cc(Cl)c3O)n1 InChI=1S/C32H43ClN4O5/c1-19-11-22-15-28(35-19)41-10-8-7-9-21-12-20(13-24(33)29(21)39)14-25(36-30(22)40)26(38)18-34-32(5,6)27-16-23(42-37-27)17-31(2,3)4/h11-13,15-16,25-26,34,38-39H,7-10,14,17-18H2,1-6H3,(H,36,40)/t25-,26+/m0/s1 MNDAYSAWFFHXGW-IZZNHLLZSA-N 586782 BACE_108 Beta-secretase 1 Homo sapiens 16 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612126 475956390 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233588 CC(C)(C)Cc1cc(no1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cncc(c3)C(=O)N1)c2 InChI=1S/C31H42N4O5/c1-30(2,3)17-24-16-28(35-40-24)31(4,5)33-20-27(36)26-14-21-9-8-10-23(13-21)38-11-6-7-12-39-25-15-22(18-32-19-25)29(37)34-26/h8-10,13,15-16,18-19,26-27,33,36H,6-7,11-12,14,17,20H2,1-5H3,(H,34,37)/t26-,27+/m0/s1 VQTSJVITBAYVQU-RRPNLBNLSA-N 586783 BACE_109 Beta-secretase 1 Homo sapiens 4.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586783&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612127 475956391 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233589 Cc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC(C)(C)c2cc(sn2)C(C)(C)C)c3)n1 InChI=1S/C31H42N4O4S/c1-20-14-22-17-28(33-20)39-13-8-7-12-38-23-11-9-10-21(15-23)16-24(34-29(22)37)25(36)19-32-31(5,6)26-18-27(40-35-26)30(2,3)4/h9-11,14-15,17-18,24-25,32,36H,7-8,12-13,16,19H2,1-6H3,(H,34,37)/t24-,25+/m0/s1 KNAXSPBFKOSGHP-LOSJGSFVSA-N 586784 BACE_110 Beta-secretase 1 Homo sapiens 120 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586784&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612128 475956392 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233590 CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(OCCCCOc5cc(cc(C)n5)C(=O)N3)c4)c2c1 InChI=1S/C35H45N3O5/c1-22(2)25-11-12-32-28(18-25)30(20-35(4,5)43-32)36-21-31(39)29-17-24-9-8-10-27(16-24)41-13-6-7-14-42-33-19-26(34(40)38-29)15-23(3)37-33/h8-12,15-16,18-19,22,29-31,36,39H,6-7,13-14,17,20-21H2,1-5H3,(H,38,40)/t29-,30-,31+/m0/s1 PGXPFWJMVIOZCD-RWSKJCERSA-N 586785 BACE_111 Beta-secretase 1 Homo sapiens 3.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612129 475956393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233591 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCc3ccccc3COc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C37H41N3O4/c1-24(2)27-11-7-12-31(19-27)37(14-15-37)38-21-34(41)33-18-26-8-6-13-32(17-26)43-22-28-9-4-5-10-29(28)23-44-35-20-30(36(42)40-33)16-25(3)39-35/h4-13,16-17,19-20,24,33-34,38,41H,14-15,18,21-23H2,1-3H3,(H,40,42)/t33-,34+/m0/s1 WDDFTYQTBXJEJO-SZAHLOSFSA-N 586786 BACE_112 Beta-secretase 1 Homo sapiens 1400 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612130 475956394 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233592 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCCc4cc(cc(C)n4)C(=O)N2)c3)c1 InChI=1S/C32H41N3O2/c1-22(2)27-13-8-12-26(17-27)20-33-21-31(36)30-18-25-11-7-10-24(16-25)9-5-4-6-14-29-19-28(32(37)35-30)15-23(3)34-29/h7-8,10-13,15-17,19,22,30-31,33,36H,4-6,9,14,18,20-21H2,1-3H3,(H,35,37)/t30-,31+/m0/s1 DIPDTZINSBFHKG-IOWSJCHKSA-N 586787 BACE_113 Beta-secretase 1 Homo sapiens 1600 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586787&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69227133 475956395 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233593 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cncc(c3)C(=O)N1)c2 InChI=1S/C32H42N4O3/c1-22(2)24-10-8-11-26(17-24)32(3,4)35-21-30(37)29-16-23-9-7-12-28(15-23)39-14-6-5-13-34-27-18-25(19-33-20-27)31(38)36-29/h7-12,15,17-20,22,29-30,34-35,37H,5-6,13-14,16,21H2,1-4H3,(H,36,38)/t29-,30+/m0/s1 YLSBBFMPYXONLE-XZWHSSHBSA-N 586788 BACE_114 Beta-secretase 1 Homo sapiens 57 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586788&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612131 475956396 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233594 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cccc(c3)C(=O)N1)c2 InChI=1S/C33H43N3O2/c1-23(2)26-13-8-15-28(20-26)33(3,4)35-22-31(37)30-19-25-12-7-11-24(18-25)10-5-6-17-34-29-16-9-14-27(21-29)32(38)36-30/h7-9,11-16,18,20-21,23,30-31,34-35,37H,5-6,10,17,19,22H2,1-4H3,(H,36,38)/t30-,31+/m0/s1 SXHNQBHZAHKDST-IOWSJCHKSA-N 586789 BACE_115 Beta-secretase 1 Homo sapiens 290 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586789&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612132 475956397 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233595 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cc(F)c(N)c(CCCCNc3cccc(c3)C(=O)N1)c2 InChI=1S/C33H43FN4O2/c1-21(2)23-10-7-12-26(18-23)33(3,4)37-20-30(39)29-17-22-15-24(31(35)28(34)16-22)9-5-6-14-36-27-13-8-11-25(19-27)32(40)38-29/h7-8,10-13,15-16,18-19,21,29-30,36-37,39H,5-6,9,14,17,20,35H2,1-4H3,(H,38,40)/t29-,30+/m0/s1 AWWPZSPLQPEEPE-XZWHSSHBSA-N 586790 BACE_116 Beta-secretase 1 Homo sapiens 120 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586790&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612133 475956398 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233596 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1)c3 InChI=1S/C34H48N4O5/c1-33(2,3)20-28-19-31(38-43-28)34(4,5)36-21-30(39)29-17-23-10-9-11-27(16-23)42-13-8-7-12-35-26-15-24(22-41-6)14-25(18-26)32(40)37-29/h9-11,14-16,18-19,29-30,35-36,39H,7-8,12-13,17,20-22H2,1-6H3,(H,37,40)/t29-,30+/m0/s1 IYJPSCSOHJZITM-XZWHSSHBSA-N 586791 BACE_117 Beta-secretase 1 Homo sapiens 6.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586791&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612134 475956399 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233597 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCN(C)c4cccc(c4)C(=O)N2)c3)c1 InChI=1S/C32H41N3O2/c1-23(2)27-13-7-12-26(18-27)21-33-22-31(36)30-19-25-11-6-10-24(17-25)9-4-5-16-35(3)29-15-8-14-28(20-29)32(37)34-30/h6-8,10-15,17-18,20,23,30-31,33,36H,4-5,9,16,19,21-22H2,1-3H3,(H,34,37)/t30-,31+/m0/s1 LJTVGDXLCYJZDO-IOWSJCHKSA-N 586792 BACE_118 Beta-secretase 1 Homo sapiens 1000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586792&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69224428 475956400 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233598 CC(C)(C)c1ccnc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(cc(c3)C(=O)N1)-c1ncco1)c2 InChI=1S/C36H43N5O3/c1-35(2,3)28-10-14-38-32(22-28)36(11-12-36)40-23-31(42)30-18-25-9-6-8-24(17-25)7-4-5-13-37-29-20-26(33(43)41-30)19-27(21-29)34-39-15-16-44-34/h6,8-10,14-17,19-22,30-31,37,40,42H,4-5,7,11-13,18,23H2,1-3H3,(H,41,43)/t30-,31+/m0/s1 SDCGYINFLCQJPQ-IOWSJCHKSA-N 586793 BACE_119 Beta-secretase 1 Homo sapiens 1.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586793&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612135 475956401 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233599 CC(C)(NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cncc(c3)C(=O)N1)c2)c1cccc(Br)c1 InChI=1S/C29H35BrN4O2/c1-29(2,23-10-6-11-24(30)16-23)33-19-27(35)26-14-21-9-5-8-20(13-21)7-3-4-12-32-25-15-22(17-31-18-25)28(36)34-26/h5-6,8-11,13,15-18,26-27,32-33,35H,3-4,7,12,14,19H2,1-2H3,(H,34,36)/t26-,27+/m0/s1 AGJOQTWGQBXRQN-RRPNLBNLSA-N 586794 BACE_120 Beta-secretase 1 Homo sapiens 590 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586794&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612136 475956402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233600 CC(C)(NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(c[n+](Cc4ccccc4)c3)C(=O)N1)c2)c1cccc(Br)c1 InChI=1S/C36H41BrN4O2/c1-36(2,30-15-9-16-31(37)21-30)39-22-34(42)33-19-28-14-8-13-26(18-28)10-6-7-17-38-32-20-29(35(43)40-33)24-41(25-32)23-27-11-4-3-5-12-27/h3-5,8-9,11-16,18,20-21,24-25,33-34,38-39,42H,6-7,10,17,19,22-23H2,1-2H3/p+1/t33-,34+/m0/s1 GISOPKHRVHGFQV-SZAHLOSFSA-O 586795 BACE_121 Beta-secretase 1 Homo sapiens 3600 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586795&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612137 475956403 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233601 CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cccc(n3)C(=O)N1)c2 InChI=1S/C32H42N4O3/c1-22(2)24-11-8-12-25(20-24)32(3,4)34-21-29(37)28-19-23-10-7-13-26(18-23)39-17-6-5-16-33-30-15-9-14-27(35-30)31(38)36-28/h7-15,18,20,22,28-29,34,37H,5-6,16-17,19,21H2,1-4H3,(H,33,35)(H,36,38)/t28-,29+/m0/s1 VCUQUGGSPOURCT-URLMMPGGSA-N 586796 BACE_122 Beta-secretase 1 Homo sapiens 2300 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586796&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612138 475956404 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233602 CC(C)Cc1cncc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cccc(c3)C(=O)N1)c2 InChI=1S/C33H44N4O3/c1-23(2)15-25-16-27(21-34-20-25)33(3,4)36-22-31(38)30-18-24-9-7-12-29(17-24)40-14-6-5-13-35-28-11-8-10-26(19-28)32(39)37-30/h7-12,16-17,19-21,23,30-31,35-36,38H,5-6,13-15,18,22H2,1-4H3,(H,37,39)/t30-,31+/m0/s1 QEUXZWLWIYVGJS-IOWSJCHKSA-N 586797 BACE_123 Beta-secretase 1 Homo sapiens 260 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586797&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612139 475956405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233603 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cc(ccn1)C(C)(C)C)c3 InChI=1S/C35H48N4O4/c1-34(2,3)27-12-14-37-32(21-27)35(4,5)38-22-31(40)30-19-24-10-9-11-29(18-24)43-15-8-7-13-36-28-17-25(23-42-6)16-26(20-28)33(41)39-30/h9-12,14,16-18,20-21,30-31,36,38,40H,7-8,13,15,19,22-23H2,1-6H3,(H,39,41)/t30-,31+/m0/s1 HBHIAFLMBFQMEA-IOWSJCHKSA-N 586798 BACE_124 Beta-secretase 1 Homo sapiens 25 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586798&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612140 475956406 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233604 C[C@H](NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cncc(c3)C(=O)N1)c2)c1cc(CC(C)(C)C)on1 InChI=1S/C30H40N4O5/c1-20(26-15-24(39-34-26)16-30(2,3)4)32-19-28(35)27-13-21-8-7-9-23(12-21)37-10-5-6-11-38-25-14-22(17-31-18-25)29(36)33-27/h7-9,12,14-15,17-18,20,27-28,32,35H,5-6,10-11,13,16,19H2,1-4H3,(H,33,36)/t20-,27-,28+/m0/s1 IPYSVVXMCVNHRE-XNZIZSAOSA-N 586799 BACE_125 Beta-secretase 1 Homo sapiens 6.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586799&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612141 475956407 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233605 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CN)c3 InChI=1S/C23H31N3O4/c1-29-15-17-9-18-13-19(10-17)25-7-2-3-8-30-20-6-4-5-16(11-20)12-21(22(27)14-24)26-23(18)28/h4-6,9-11,13,21-22,25,27H,2-3,7-8,12,14-15,24H2,1H3,(H,26,28)/t21-,22+/m0/s1 ANOWRZRLMFDYGW-FCHUYYIVSA-N 586800 BACE_126 Beta-secretase 1 Homo sapiens 13000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586800&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612142 475956408 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233606 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cnn(CC(C)C)c1)c3 InChI=1S/C31H43N5O4/c1-22(2)19-36-20-25(17-34-36)16-32-18-30(37)29-14-23-7-6-8-28(13-23)40-10-5-4-9-33-27-12-24(21-39-3)11-26(15-27)31(38)35-29/h6-8,11-13,15,17,20,22,29-30,32-33,37H,4-5,9-10,14,16,18-19,21H2,1-3H3,(H,35,38)/t29-,30+/m0/s1 NFQJIAYEWXHVHM-XZWHSSHBSA-N 586801 BACE_127 Beta-secretase 1 Homo sapiens 100 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586801&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612143 475956409 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233607 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(cc12)C(C)C)c3 InChI=1S/C37H49N3O5/c1-24(2)27-11-12-35-31(20-27)33(21-37(3,4)45-35)39-22-34(41)32-18-25-9-8-10-30(17-25)44-14-7-6-13-38-29-16-26(23-43-5)15-28(19-29)36(42)40-32/h8-12,15-17,19-20,24,32-34,38-39,41H,6-7,13-14,18,21-23H2,1-5H3,(H,40,42)/t32-,33-,34+/m0/s1 WTFWGMOSSQKDJY-DHWXLLNHSA-N 586802 BACE_128 Beta-secretase 1 Homo sapiens 2.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586802&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612144 475956410 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233608 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(CC(C)(C)C)on1)c3 InChI=1S/C32H44N4O5/c1-32(2,3)18-28-17-26(36-41-28)19-33-20-30(37)29-15-22-8-7-9-27(14-22)40-11-6-5-10-34-25-13-23(21-39-4)12-24(16-25)31(38)35-29/h7-9,12-14,16-17,29-30,33-34,37H,5-6,10-11,15,18-21H2,1-4H3,(H,35,38)/t29-,30+/m0/s1 KYJRXAKNPCNMKV-XZWHSSHBSA-N 586803 BACE_129 Beta-secretase 1 Homo sapiens 14 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612145 475956411 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233609 COc1ccc2C[C@H](NC(=O)c3cc(CO)cc(NCCCCOc1c2)c3)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C33H43N3O5/c1-22(2)26-8-6-7-24(13-26)19-34-20-30(38)29-16-23-9-10-31(40-3)32(17-23)41-12-5-4-11-35-28-15-25(21-37)14-27(18-28)33(39)36-29/h6-10,13-15,17-18,22,29-30,34-35,37-38H,4-5,11-12,16,19-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1 FDVKIPRAGDSNMT-XZWHSSHBSA-N 586804 BACE_130 Beta-secretase 1 Homo sapiens 960 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612146 475956412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233610 CN(C)C(=O)c1cc2NC\C=C/COc3cc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C)ccc3F InChI=1S/C37H45FN4O4/c1-36(2,3)27-9-8-10-28(22-27)37(13-14-37)40-23-32(43)31-17-24-11-12-30(38)33(18-24)46-16-7-6-15-39-29-20-25(34(44)41-31)19-26(21-29)35(45)42(4)5/h6-12,18-22,31-32,39-40,43H,13-17,23H2,1-5H3,(H,41,44)/b7-6-/t31-,32+/m0/s1 RXIAINNSTWFZEY-RQXDDPSVSA-N 586805 BACE_131 Beta-secretase 1 Homo sapiens 41 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 87401391 475956413 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233611 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCOc4cc(cc(c4)C(=O)N2)-c2ncco2)c3)c1 InChI=1S/C34H39N3O4/c1-23(2)27-11-6-10-26(16-27)21-35-22-32(38)31-17-25-9-5-8-24(15-25)7-3-4-13-40-30-19-28(33(39)37-31)18-29(20-30)34-36-12-14-41-34/h5-6,8-12,14-16,18-20,23,31-32,35,38H,3-4,7,13,17,21-22H2,1-2H3,(H,37,39)/t31-,32+/m0/s1 AURCOEMWMOIYLM-AJQTZOPKSA-N 586806 BACE_132 Beta-secretase 1 Homo sapiens 250 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69227162 475956414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233612 CC(=O)COc1cc2OCCCCc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)c3 InChI=1S/C36H45N3O5/c1-24(40)23-44-30-19-27-18-29(21-30)43-15-6-5-8-25-9-7-10-26(16-25)17-31(39-34(27)42)32(41)22-38-36(12-13-36)33-20-28(11-14-37-33)35(2,3)4/h7,9-11,14,16,18-21,31-32,38,41H,5-6,8,12-13,15,17,22-23H2,1-4H3,(H,39,42)/t31-,32+/m0/s1 BGSOKMMAPDNANE-AJQTZOPKSA-N 586807 BACE_133 Beta-secretase 1 Homo sapiens 2.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67440805 475956415 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233613 COC(=O)c1cc2OCCCCc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3 InChI=1S/C33H40N2O5/c1-22(2)26-12-7-11-25(15-26)20-34-21-31(36)30-16-24-10-6-9-23(14-24)8-4-5-13-40-29-18-27(32(37)35-30)17-28(19-29)33(38)39-3/h6-7,9-12,14-15,17-19,22,30-31,34,36H,4-5,8,13,16,20-21H2,1-3H3,(H,35,37)/t30-,31+/m0/s1 MURFHXUUUPTILP-IOWSJCHKSA-N 586808 BACE_134 Beta-secretase 1 Homo sapiens 180 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69226885 475956416 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233614 CC(=O)COc1cc2OCCCCc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(ccn1)C(C)(C)C)c3 InChI=1S/C34H43N3O5/c1-23(38)22-42-30-17-26-16-29(19-30)41-13-6-5-8-24-9-7-10-25(14-24)15-31(37-33(26)40)32(39)21-35-20-28-18-27(11-12-36-28)34(2,3)4/h7,9-12,14,16-19,31-32,35,39H,5-6,8,13,15,20-22H2,1-4H3,(H,37,40)/t31-,32+/m0/s1 XDQWWAQTJFAPER-AJQTZOPKSA-N 586809 BACE_135 Beta-secretase 1 Homo sapiens 10.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69224441 475956417 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233615 CC(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCOc4cc(cc(c4)C(=O)N2)N2CCCC2=O)c3)c1 InChI=1S/C34H42N4O4/c1-23(2)26-11-12-36-28(17-26)21-35-22-32(39)31-16-25-9-5-8-24(15-25)7-3-4-14-42-30-19-27(34(41)37-31)18-29(20-30)38-13-6-10-33(38)40/h5,8-9,11-12,15,17-20,23,31-32,35,39H,3-4,6-7,10,13-14,16,21-22H2,1-2H3,(H,37,41)/t31-,32+/m0/s1 YEMIEVSDXOHDCH-AJQTZOPKSA-N 586810 BACE_136 Beta-secretase 1 Homo sapiens 27 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69228034 475956418 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233616 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCOc4cncc(c4)C(=O)N2)c3)c1 InChI=1S/C30H37N3O3/c1-21(2)25-11-6-10-24(14-25)17-31-20-29(34)28-15-23-9-5-8-22(13-23)7-3-4-12-36-27-16-26(18-32-19-27)30(35)33-28/h5-6,8-11,13-14,16,18-19,21,28-29,31,34H,3-4,7,12,15,17,20H2,1-2H3,(H,33,35)/t28-,29+/m0/s1 AQDKFLRPPYLWHH-URLMMPGGSA-N 586811 BACE_137 Beta-secretase 1 Homo sapiens 480 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612147 475956419 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233617 CC(C)(NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cncc(c3)C(=O)N1)c2)c1cccc(Br)c1 InChI=1S/C29H34BrN3O4/c1-29(2,22-8-6-9-23(30)16-22)32-19-27(34)26-14-20-7-5-10-24(13-20)36-11-3-4-12-37-25-15-21(17-31-18-25)28(35)33-26/h5-10,13,15-18,26-27,32,34H,3-4,11-12,14,19H2,1-2H3,(H,33,35)/t26-,27+/m0/s1 XMNZXKGIERQFBB-RRPNLBNLSA-N 586812 BACE_138 Beta-secretase 1 Homo sapiens 290 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612148 475956420 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233618 CC(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cccc(c4)C(=O)N2C)c3)c1 InChI=1S/C31H39N3O4/c1-22(2)24-12-13-33-26(18-24)20-32-21-30(35)29-17-23-8-6-10-27(16-23)37-14-4-5-15-38-28-11-7-9-25(19-28)31(36)34(29)3/h6-13,16,18-19,22,29-30,32,35H,4-5,14-15,17,20-21H2,1-3H3/t29-,30+/m0/s1 VZSSORYHWAMRHB-XZWHSSHBSA-N 586813 BACE_139 Beta-secretase 1 Homo sapiens 37000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612149 475956421 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233619 COCc1cc2OCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 InChI=1S/C34H42N2O5/c1-23(2)26-8-5-9-28(19-26)34(11-12-34)35-21-32(37)31-18-24-7-4-10-29(16-24)40-13-6-14-41-30-17-25(22-39-3)15-27(20-30)33(38)36-31/h4-5,7-10,15-17,19-20,23,31-32,35,37H,6,11-14,18,21-22H2,1-3H3,(H,36,38)/t31-,32+/m0/s1 NJIVOIHRUPBAFD-AJQTZOPKSA-N 586814 BACE_140 Beta-secretase 1 Homo sapiens 78 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67441590 475956422 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233620 CCc1cc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(c4)C(=O)N2)C(=O)N(C)C)c3)ncn1 InChI=1S/C31H39N5O5/c1-4-24-17-25(34-20-33-24)18-32-19-29(37)28-13-21-8-7-9-26(12-21)40-10-5-6-11-41-27-15-22(30(38)35-28)14-23(16-27)31(39)36(2)3/h7-9,12,14-17,20,28-29,32,37H,4-6,10-11,13,18-19H2,1-3H3,(H,35,38)/t28-,29+/m0/s1 HQVRGSWMNKPFBJ-URLMMPGGSA-N 586815 BACE_141 Beta-secretase 1 Homo sapiens 1700 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69227638 475956423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233621 COc1cc2NCCCCCCC[C@@H](C)C[C@@H]3N=C(O[C@H]3CO)c(c2)c1 InChI=1S/C21H32N2O3/c1-15-8-6-4-3-5-7-9-22-17-11-16(12-18(13-17)25-2)21-23-19(10-15)20(14-24)26-21/h11-13,15,19-20,22,24H,3-10,14H2,1-2H3/t15-,19+,20+/m1/s1 SZXHTEBQYLONSS-XPGWFJOJSA-N 586816 BACE_142 Beta-secretase 1 Homo sapiens 4500 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612150 475956424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233622 C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CO InChI=1S/C19H36N2O4/c1-14-10-8-6-4-5-7-9-11-18(24)21(3)15(2)19(25)20-16(12-14)17(23)13-22/h14-17,22-23H,4-13H2,1-3H3,(H,20,25)/t14-,15+,16+,17-/m1/s1 LTEHUEOCTLQKFY-LTIDMASMSA-N 586817 BACE_143 Beta-secretase 1 Homo sapiens 61000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586817&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612151 475956425 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233623 COCc1cc2NCCCCOc3cccc(C[C@H](N)[C@H](CNC4(CC4)c4cccc(c4)C(C)C)OC(=O)c(c1)c2)c3 InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)38-22-33-32(36)19-25-8-6-11-31(18-25)41-15-5-4-14-37-30-17-26(23-40-3)16-28(21-30)34(39)42-33/h6-11,16-18,20-21,24,32-33,37-38H,4-5,12-15,19,22-23,36H2,1-3H3/t32-,33-/m0/s1 LOUKYESCUBKKKL-LQJZCPKCSA-N 586818 BACE_144 Beta-secretase 1 Homo sapiens 6400 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586818&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612152 475956426 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233624 CCCNc1cc(COC)cc(c1)C(=O)N[C@@H](Cc1cccc(OC)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C InChI=1S/C35H47N3O4/c1-6-15-36-30-17-26(23-41-4)16-28(21-30)34(40)38-32(19-25-9-7-12-31(18-25)42-5)33(39)22-37-35(13-14-35)29-11-8-10-27(20-29)24(2)3/h7-12,16-18,20-21,24,32-33,36-37,39H,6,13-15,19,22-23H2,1-5H3,(H,38,40)/t32-,33+/m0/s1 VVTNPFCQNZJLDN-JHOUSYSJSA-N 586819 BACE_145 Beta-secretase 1 Homo sapiens 1200 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586819&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612153 475956427 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233625 CCCNc1cc(COC)cc(c1)C(=O)N[C@@H](Cc1cccc(OC)c1)[C@H](O)CNCc1cccc(c1)C(C)C InChI=1S/C33H45N3O4/c1-6-13-35-29-16-26(22-39-4)15-28(19-29)33(38)36-31(18-24-9-8-12-30(17-24)40-5)32(37)21-34-20-25-10-7-11-27(14-25)23(2)3/h7-12,14-17,19,23,31-32,34-35,37H,6,13,18,20-22H2,1-5H3,(H,36,38)/t31-,32+/m0/s1 CELZCSIGFRHEJG-AJQTZOPKSA-N 586820 BACE_146 Beta-secretase 1 Homo sapiens 3100 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586820&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612154 475956428 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233626 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCC[C@H](C)CCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H47N3O4/c1-6-7-14-26-24(31)19(4)16-22(29)21-15-18(3)11-9-8-10-17(2)12-13-23(30)27-20(5)25(32)28-21/h17-22,29H,6-16H2,1-5H3,(H,26,31)(H,27,30)(H,28,32)/t17-,18+,19+,20-,21-,22-/m0/s1 FSXYYVXMIZWSKE-ZCPXKWAGSA-N 586821 BACE_147 Beta-secretase 1 Homo sapiens 920 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586821&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68546666 475956429 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233627 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCC[C@H](C)CCC(=O)N(C)[C@@H](C)C(=O)N1 InChI=1S/C27H51N3O4/c1-7-8-16-28-26(33)21(4)18-24(31)23-17-20(3)13-11-9-10-12-19(2)14-15-25(32)30(6)22(5)27(34)29-23/h19-24,31H,7-18H2,1-6H3,(H,28,33)(H,29,34)/t19-,20+,21+,22-,23-,24-/m0/s1 ORDNMCQIJFPSSX-ZUYVPRDGSA-N 586822 BACE_148 Beta-secretase 1 Homo sapiens 41 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586822&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68542702 475956430 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233628 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C30H56N4O6/c1-8-9-17-31-26(36)21(3)19-25(35)24-18-20(2)15-13-11-10-12-14-16-23(34-29(39)40-30(5,6)7)28(38)32-22(4)27(37)33-24/h20-25,35H,8-19H2,1-7H3,(H,31,36)(H,32,38)(H,33,37)(H,34,39)/t20-,21-,22+,23+,24+,25+/m1/s1 IZQAQYOUOGHTSN-FLEOUKIISA-N 586823 BACE_149 Beta-secretase 1 Homo sapiens 3.00 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68539439 475956431 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233629 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C31H51N5O5/c1-5-6-16-33-28(38)22(3)20-27(37)26-19-21(2)12-10-8-7-9-11-13-25(31(41)34-23(4)29(39)36-26)35-30(40)24-14-17-32-18-15-24/h14-15,17-18,21-23,25-27,37H,5-13,16,19-20H2,1-4H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t21-,22-,23+,25+,26+,27+/m1/s1 ODNVXZKBFVWGLK-AJFDNNOYSA-N 586824 BACE_150 Beta-secretase 1 Homo sapiens 0.50 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68538579 475956432 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233630 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCS(=O)(=O)C[C@@H](C)C(=O)N1 InChI=1S/C25H48N2O5S/c1-5-6-14-26-24(29)20(3)17-23(28)22-16-19(2)13-11-9-7-8-10-12-15-33(31,32)18-21(4)25(30)27-22/h19-23,28H,5-18H2,1-4H3,(H,26,29)(H,27,30)/t19-,20-,21-,22+,23+/m1/s1 KKOBJXXOZHTRTQ-CCSDVLNMSA-N 586825 BACE_151 Beta-secretase 1 Homo sapiens 560 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68571703 475956433 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233631 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCNc2cc(cc(OC)n2)C(=O)N1 InChI=1S/C26H44N4O4/c1-5-6-12-28-25(32)19(3)15-22(31)21-14-18(2)11-9-7-8-10-13-27-23-16-20(26(33)29-21)17-24(30-23)34-4/h16-19,21-22,31H,5-15H2,1-4H3,(H,27,30)(H,28,32)(H,29,33)/t18-,19-,21+,22+/m1/s1 OOHBXKBHGIFZKD-WKDRNLAYSA-N 586826 BACE_152 Beta-secretase 1 Homo sapiens 460 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612155 475956434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233632 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(OCCCCCC(=O)N[C@@H](C)C(=O)N1)c2 InChI=1S/C26H41N3O5/c1-4-5-13-27-25(32)18(2)15-23(30)22-17-20-10-9-11-21(16-20)34-14-8-6-7-12-24(31)28-19(3)26(33)29-22/h9-11,16,18-19,22-23,30H,4-8,12-15,17H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t18-,19+,22+,23+/m1/s1 DQIULIKSGCKCST-FUKQBSRTSA-N 586827 BACE_153 Beta-secretase 1 Homo sapiens 690 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11385981 475956435 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233633 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(CCCCCNc3cc(cc(OC)n3)C(=O)N1)c2 InChI=1S/C29H42N4O4/c1-4-5-13-31-28(35)20(2)15-25(34)24-17-22-12-9-11-21(16-22)10-7-6-8-14-30-26-18-23(29(36)32-24)19-27(33-26)37-3/h9,11-12,16,18-20,24-25,34H,4-8,10,13-15,17H2,1-3H3,(H,30,33)(H,31,35)(H,32,36)/t20-,24+,25+/m1/s1 CTQGFWBADSRVGP-YNJKOYDBSA-N 586828 BACE_154 Beta-secretase 1 Homo sapiens 130 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69227077 475956436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233634 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(cc(C)n3)C(=O)N1)c2 InChI=1S/C28H40N4O3/c1-4-5-12-30-27(34)19(2)14-25(33)24-17-22-11-8-10-21(16-22)9-6-7-13-29-26-18-23(28(35)32-24)15-20(3)31-26/h8,10-11,15-16,18-19,24-25,33H,4-7,9,12-14,17H2,1-3H3,(H,29,31)(H,30,34)(H,32,35)/t19-,24+,25+/m1/s1 XITUUYICCONKKK-NGXZDTIWSA-N 586829 BACE_155 Beta-secretase 1 Homo sapiens 240 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69227179 475956437 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233635 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(OCCCCS(=O)(=O)C[C@@H](C)C(=O)N1)c2 InChI=1S/C25H40N2O6S/c1-4-5-11-26-24(29)18(2)14-23(28)22-16-20-9-8-10-21(15-20)33-12-6-7-13-34(31,32)17-19(3)25(30)27-22/h8-10,15,18-19,22-23,28H,4-7,11-14,16-17H2,1-3H3,(H,26,29)(H,27,30)/t18-,19-,22+,23+/m1/s1 PSUQJKHTJDHTBC-VKGYTVAMSA-N 586830 BACE_156 Beta-secretase 1 Homo sapiens 110 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 69118033 475956438 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233636 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2ccc(O)c(Cc3ccccc3OCC(=O)N[C@@H](C)C(=O)N1)c2 InChI=1S/C29H39N3O6/c1-4-5-12-30-28(36)18(2)13-25(34)23-15-20-10-11-24(33)22(14-20)16-21-8-6-7-9-26(21)38-17-27(35)31-19(3)29(37)32-23/h6-11,14,18-19,23,25,33-34H,4-5,12-13,15-17H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t18-,19+,23+,25+/m1/s1 QOWUWNKVXBVKBI-ICSRYVJKSA-N 586831 BACE_157 Beta-secretase 1 Homo sapiens 120 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612156 475956439 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1233637 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2ccc(O)c(Cc3ccccc3OCCCCC(=O)N1)c2 InChI=1S/C29H40N2O5/c1-3-4-14-30-29(35)20(2)16-26(33)24-18-21-12-13-25(32)23(17-21)19-22-9-5-6-10-27(22)36-15-8-7-11-28(34)31-24/h5-6,9-10,12-13,17,20,24,26,32-33H,3-4,7-8,11,14-16,18-19H2,1-2H3,(H,30,35)(H,31,34)/t20-,24+,26+/m1/s1 QXBOHXYJDWZFDW-PSUQPPDWSA-N 586832 BACE_158 Beta-secretase 1 Homo sapiens 4000 D3R 10.7270/Q2N301S8 D3R, DD D3R/Abbott http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=586832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=586832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166612157 475956440 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436259 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436260 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H19F3N4O2S/c1-10-16(22)19(2,26-18(23)29-10)13-7-11(3-5-14(13)21)25-17(27)15-6-4-12(8-24-15)28-9-20/h3-8,10,16H,9H2,1-2H3,(H2,23,26)(H,25,27)/t10-,16+,19-/m1/s1 ISMPQYNARQTPQQ-ULMSCDGUSA-N 50580213 CHEMBL5093159 Beta-secretase 1 Homo sapiens 4.1 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126693334 476025218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436261 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 LQVIUEMPEFSVOL-CPRIZNHFSA-N 50579805 CHEMBL5075689 Beta-secretase 1 Homo sapiens 0.930000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0QQ 7F1D,7F1G 162366968 476024810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436262 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3CCCOc3cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-9-13(5-6-15(14)22)26-19(28)16-8-12-4-3-7-29-17(12)10-25-16/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1 LTQMLVAKQYOIKN-NHTJXEOOSA-N 50580214 CHEMBL5072129 Beta-secretase 1 Homo sapiens 47 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166630914 476025219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436263 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCCc3cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-8-13(5-6-15(14)22)26-19(28)16-9-17-12(10-25-16)4-3-7-29-17/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1 NQNYJWRRSKILGT-NHTJXEOOSA-N 50580215 CHEMBL5079271 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166629235 476025220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436269 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436270 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F InChI=1S/C19H19F3N4O2S/c1-10-16(22)19(2,26-18(23)29-10)13-7-11(3-5-14(13)21)25-17(27)15-6-4-12(8-24-15)28-9-20/h3-8,10,16H,9H2,1-2H3,(H2,23,26)(H,25,27)/t10-,16+,19-/m1/s1 ISMPQYNARQTPQQ-ULMSCDGUSA-N 50580213 CHEMBL5093159 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580213&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126693334 476025218 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436271 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 LQVIUEMPEFSVOL-CPRIZNHFSA-N 50579805 CHEMBL5075689 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0QQ 7F1D,7F1G 162366968 476024810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436272 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3CCCOc3cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-9-13(5-6-15(14)22)26-19(28)16-8-12-4-3-7-29-17(12)10-25-16/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1 LTQMLVAKQYOIKN-NHTJXEOOSA-N 50580214 CHEMBL5072129 Beta-secretase 1 Homo sapiens 123 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166630914 476025219 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436273 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCCc3cn2)ccc1F InChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-8-13(5-6-15(14)22)26-19(28)16-9-17-12(10-25-16)4-3-7-29-17/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1 NQNYJWRRSKILGT-NHTJXEOOSA-N 50580215 CHEMBL5079271 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580215&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166629235 476025220 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436274 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 0.340000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436275 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 LQVIUEMPEFSVOL-CPRIZNHFSA-N 50579805 CHEMBL5075689 Beta-secretase 1 Homo sapiens 0.800000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0QQ 7F1D,7F1G 162366968 476024810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436276 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 50580216 MK-8931::SCH 900931::SCH-900931::SCH900931::VERUBECESTAT::Verubecestat Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66F 7D5B,5HU1,7D2V 51352361 476025221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436277 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VLLFGVHGKLDDLW-SFHVURJKSA-N 210070 US9270353, 17 Beta-secretase 1 Homo sapiens 0.130000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H3C 7DCZ 68254185 329586303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436282 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436283 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N InChI=1S/C19H16FN7O2/c1-10-23-15(8-29-10)18(28)24-11-3-4-14(20)13(5-11)19(2)9-27-16(17(22)25-19)6-12(7-21)26-27/h3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,28)/t19-/m0/s1 VDXFKYHWRXWVOF-IBGZPJMESA-N 50580217 CHEMBL5093195 Beta-secretase 1 Homo sapiens 0.690000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166631840 476025222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51436285 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 JWJQXZNLFNMIHE-AHRODOEDSA-N 50505569 CHEMBL4557670 Beta-secretase 1 Homo sapiens 0.380000 ChEMBL 10.1021/acs.jmedchem.1c00359 10.7270/Q2WW7NJB 34553947 Ueno, T; Matsuoka, E; Asada, N; Yamamoto, S; Kanegawa, N; Ito, M; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Shionogi Pharmaceutical Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C83 6JT3 91971958 440714154 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443797 C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C20H16FN7O/c1-20(11-28-7-6-24-18(28)17(23)27-20)14-8-13(3-4-15(14)21)26-19(29)16-5-2-12(9-22)10-25-16/h2-8,10H,11H2,1H3,(H2,23,27)(H,26,29)/t20-/m0/s1 PURBTYQRCRLUGF-FQEVSTJZSA-N 50502601 CHEMBL4525199 Beta-secretase 1 Homo sapiens 29 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121298035 440711186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443798 C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 InChI=1S/C20H17N7O/c1-20(12-27-17(7-8-24-27)18(22)26-20)14-3-2-4-15(9-14)25-19(28)16-6-5-13(10-21)11-23-16/h2-9,11H,12H2,1H3,(H2,22,26)(H,25,28)/t20-/m0/s1 WNSFYBCKLLABCJ-FQEVSTJZSA-N 50502598 CHEMBL4521954 Beta-secretase 1 Homo sapiens 4.6 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50502598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50502598&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 60194610 440711183 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443799 C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15FN8O/c1-21(11-30-14(8-24)10-27-19(30)18(25)29-21)15-6-13(3-4-16(15)22)28-20(31)17-5-2-12(7-23)9-26-17/h2-6,9-10H,11H2,1H3,(H2,25,29)(H,28,31)/t21-/m0/s1 PEYUKFMDCGZLQN-NRFANRHFSA-N 50393084 CHEMBL2152899 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393084&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71456609 163342108 CHEMBL2152899 ZINC95579446 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443800 C[C@]1(Cn2cc(nc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15FN8O/c1-21(11-30-10-14(8-24)27-19(30)18(25)29-21)15-6-13(3-4-16(15)22)28-20(31)17-5-2-12(7-23)9-26-17/h2-6,9-10H,11H2,1H3,(H2,25,29)(H,28,31)/t21-/m0/s1 SMKLPOGYVJHNSP-NRFANRHFSA-N 50583316 CHEMBL5085521 Beta-secretase 1 Homo sapiens 13 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583316&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166631297 476028321 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443801 C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H15F2N7O/c1-20(10-29-13(7-23)9-26-18(29)17(24)28-20)14-6-12(3-4-15(14)22)27-19(30)16-5-2-11(21)8-25-16/h2-6,8-9H,10H2,1H3,(H2,24,28)(H,27,30)/t20-/m0/s1 PDOPEKODNLOZRJ-FQEVSTJZSA-N 50583317 CHEMBL5088449 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583317&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67984618 476028322 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443802 C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F InChI=1S/C20H15ClFN7O/c1-20(10-29-13(7-23)9-26-18(29)17(24)28-20)14-6-12(3-4-15(14)22)27-19(30)16-5-2-11(21)8-25-16/h2-6,8-9H,10H2,1H3,(H2,24,28)(H,27,30)/t20-/m0/s1 YMBXEBSSLRFPOM-FQEVSTJZSA-N 50583318 CHEMBL5075933 Beta-secretase 1 Homo sapiens 2.6 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583318&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626439 476028323 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443803 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N InChI=1S/C20H17FN8O2/c1-20(10-29-12(6-22)7-26-18(29)17(23)28-20)13-5-11(3-4-14(13)21)27-19(30)15-8-25-16(31-2)9-24-15/h3-5,7-9H,10H2,1-2H3,(H2,23,28)(H,27,30)/t20-/m0/s1 KEJARRYEPKQENB-FQEVSTJZSA-N 50583319 CHEMBL5073381 Beta-secretase 1 Homo sapiens 5.5 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583319&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166630536 476028324 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443804 C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C21H15FN8O/c1-21(11-30-18(19(25)28-21)7-14(9-24)29-30)15-6-13(3-4-16(15)22)27-20(31)17-5-2-12(8-23)10-26-17/h2-7,10H,11H2,1H3,(H2,25,28)(H,27,31)/t21-/m0/s1 PQYGXBUKYSOKJA-NRFANRHFSA-N 50583320 CHEMBL5084378 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583320&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140629024 476028325 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443805 C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H15F2N7O/c1-20(10-29-17(18(24)27-20)7-13(8-23)28-29)14-6-12(3-4-15(14)22)26-19(30)16-5-2-11(21)9-25-16/h2-7,9H,10H2,1H3,(H2,24,27)(H,26,30)/t20-/m0/s1 AMWCDMOOTAVMSV-FQEVSTJZSA-N 50583321 CHEMBL5085412 Beta-secretase 1 Homo sapiens 2.8 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583321&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140629026 476028326 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443806 C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H16F3N7O2/c1-21(10-31-17(18(26)29-21)7-12(8-25)30-31)14-6-11(2-4-15(14)22)28-19(32)16-5-3-13(9-27-16)33-20(23)24/h2-7,9,20H,10H2,1H3,(H2,26,29)(H,28,32)/t21-/m0/s1 JXQACBKQPQKDBW-NRFANRHFSA-N 50583322 CHEMBL5093303 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583322&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166633393 476028327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443807 Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N InChI=1S/C19H16FN7O2/c1-10-23-15(8-29-10)18(28)24-11-3-4-14(20)13(5-11)19(2)9-27-16(17(22)25-19)6-12(7-21)26-27/h3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,28)/t19-/m0/s1 VDXFKYHWRXWVOF-IBGZPJMESA-N 50580217 CHEMBL5093195 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580217&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166631840 476025222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443808 C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C20H15F3N8O/c1-20(9-31-16(18(25)29-20)5-11(6-24)30-31)12-4-10(2-3-13(12)21)28-19(32)15-8-26-14(7-27-15)17(22)23/h2-5,7-8,17H,9H2,1H3,(H2,25,29)(H,28,32)/t20-/m0/s1 JQBMPLUGJXSJPF-FQEVSTJZSA-N 50583323 CHEMBL5077699 Beta-secretase 1 Homo sapiens 3.7 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583323&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626595 476028328 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443809 C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H16F2N8O2/c1-20(9-30-16(18(24)28-20)5-12(6-23)29-30)13-4-11(2-3-14(13)22)27-19(31)15-7-26-17(8-25-15)32-10-21/h2-5,7-8H,9-10H2,1H3,(H2,24,28)(H,27,31)/t20-/m0/s1 ZXRHVPQEUUVSBF-FQEVSTJZSA-N 50583324 CHEMBL5082406 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583324&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166628410 476028329 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51443810 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N InChI=1S/C20H17FN8O2/c1-20(10-29-16(18(23)27-20)6-12(7-22)28-29)13-5-11(3-4-14(13)21)26-19(30)15-8-25-17(31-2)9-24-15/h3-6,8-9H,10H2,1-2H3,(H2,23,27)(H,26,30)/t20-/m0/s1 ITBUOSMBIYYJMH-FQEVSTJZSA-N 50583315 CHEMBL5074068 Beta-secretase 1 Homo sapiens 2.9 ChEMBL 10.1021/acsmedchemlett.1c00445 10.7270/Q2GT5S2J 35059126 Peschiulli, A; Oehlrich, D; Van Gool, M; Austin, N; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Tresadern, G; Rombouts, FJR; Macdonald, GJ; Moechars, D; Trabanco, AA; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583315&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 140629025 476028320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453217 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F InChI=1S/C19H20F5N7O3/c1-17(8-34-18(2,16(26)31-17)19(22,23)24)13-9(21)3-4-10(28-13)29-15(32)12-14(25)30-11(7-27-12)33-6-5-20/h3-4,7H,5-6,8H2,1-2H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t17-,18+/m0/s1 FLQJNXIYQVZXEY-ZWKOTPCHSA-N 50586753 CHEMBL5089745 Beta-secretase 1 Homo sapiens 696 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166636413 476022840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453218 COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1 InChI=1S/C20H23F4N7O4/c1-18(9-35-19(2,17(26)31-18)20(22,23)24)14-10(21)4-5-11(28-14)29-16(32)13-15(25)30-12(8-27-13)34-7-6-33-3/h4-5,8H,6-7,9H2,1-3H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t18-,19+/m0/s1 JCRFLTOHIUBPBI-RBUKOAKNSA-N 50586754 CHEMBL5080033 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166629271 476022841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453219 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 BQFHTVUWPJXLOW-VQTJNVASSA-N 50012653 CHEMBL3261067 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012653&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search SLK 7B1Q 66665322 103924906 CHEMBL3261067 ZINC29463978 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453220 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1 FKENLPZVPNVYQW-DLBZAZTESA-N 116249 US10035794, Example 26::US8637508, 26 Beta-secretase 1 Homo sapiens 402 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 88602362 199996633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453221 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1 MTNQDQUYJFDVLS-RBUKOAKNSA-N 116236 US10035794, Example 11::US10683287, Example 11::US8637508, 11 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356221 199996620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453222 Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1 VAFUDQUXHDFJQT-RBUKOAKNSA-N 116240 US10035794, Example 16::US10683287, Example 16::US8637508, 16 Beta-secretase 1 Homo sapiens 89 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116240&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70356350 199996624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453223 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 LHTZVIDMVHFLLF-ZWKOTPCHSA-N 116247 US10035794, Example 24::US10683287, Example 35::US8637508, 24 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70355131 199996631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453224 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1 MWIIPGZITGHTPU-ZWKOTPCHSA-N 116250 US10035794, Example 27::US10683287, Example 27::US8637508, 27 Beta-secretase 1 Homo sapiens 6.0 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951901 199996634 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453225 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1 DOJQNRYLSRMQDA-ZWKOTPCHSA-N 116253 US10035794, Example 30::US10683287, Example 36::US8637508, 30 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951915 199996637 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453226 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1 DRKAFGKWERJHKK-DLBZAZTESA-N 116254 US10035794, Example 31::US10683287, Example 31::US8637508, 31 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951906 199996638 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453227 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 PSBBWFNMHDUTRH-DLBZAZTESA-N 116257 US10035794, Example 34::US10683287, Example 34::US8637508, 34 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUH 6EQM 88602735 199996641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453228 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)(F)F)ccc1F InChI=1S/C19H17F7N6O2/c1-16(7-34-17(2,15(28)32-16)19(24,25)26)13-9(20)3-4-11(30-13)31-14(33)12-10(27)5-8(6-29-12)18(21,22)23/h3-6H,7,27H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 RNLNFTQJIYFRSH-DLBZAZTESA-N 50586755 CHEMBL5070669 Beta-secretase 1 Homo sapiens 70 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586755&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166625322 476022842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453229 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1 HUQALVJHHCENTE-JKSUJKDBSA-N 116267 US10035794, Example 44::US10683287, Example 44::US8637508, 44 Beta-secretase 1 Homo sapiens 34 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116267&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89951897 199996651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453279 C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 PSBBWFNMHDUTRH-DLBZAZTESA-N 116257 US10035794, Example 34::US10683287, Example 34::US8637508, 34 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.1c01300 10.7270/Q27D302Z 34648711 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Novartis Pharma AG http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116257&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search BUH 6EQM 88602735 199996641 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453496 CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C30H51N5O6/c1-7-9-23(33-30(41)27(20(6)8-2)35-28(39)22(31)14-15-26(37)38)29(40)34-24(16-18(3)4)25(36)17-32-21-12-10-19(5)11-13-21/h10-13,18,20,22-25,27,32,36H,7-9,14-17,31H2,1-6H3,(H,33,41)(H,34,40)(H,35,39)(H,37,38)/t20-,22-,23-,24-,25+,27-/m0/s1 ZALHHVHVSYGWSU-WHFYOBHJSA-N 50586824 CHEMBL5080664 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166629488 476022911 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453497 CCC[C@@H]1NC(=O)[C@H](CCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C27H43N5O6/c1-3-7-21-26(37)30-20(23(33)16-29-18-12-10-17(2)11-13-18)8-5-4-6-9-22(27(38)32-21)31-25(36)19(28)14-15-24(34)35/h10-13,19-23,29,33H,3-9,14-16,28H2,1-2H3,(H,30,37)(H,31,36)(H,32,38)(H,34,35)/t19-,20-,21-,22-,23+/m0/s1 PECZRRKXBHFWJV-XZCBWCRCSA-N 50586825 CHEMBL5075323 Beta-secretase 1 Homo sapiens 1400000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626293 476022912 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453498 CCC[C@@H]1NC(=O)[C@H](C\C=C\CC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C27H41N5O6/c1-3-7-21-26(37)30-20(23(33)16-29-18-12-10-17(2)11-13-18)8-5-4-6-9-22(27(38)32-21)31-25(36)19(28)14-15-24(34)35/h4,6,10-13,19-23,29,33H,3,5,7-9,14-16,28H2,1-2H3,(H,30,37)(H,31,36)(H,32,38)(H,34,35)/b6-4+/t19-,20-,21-,22-,23+/m0/s1 TULBSNXJOUAKAW-LKFUQQFUSA-N 50586826 CHEMBL5087515 Beta-secretase 1 Homo sapiens >1500000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586826&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166635318 476022913 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453499 CCC[C@@H]1NC(=O)[C@H](C\C=C/CC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C27H41N5O6/c1-3-7-21-26(37)30-20(23(33)16-29-18-12-10-17(2)11-13-18)8-5-4-6-9-22(27(38)32-21)31-25(36)19(28)14-15-24(34)35/h4,6,10-13,19-23,29,33H,3,5,7-9,14-16,28H2,1-2H3,(H,30,37)(H,31,36)(H,32,38)(H,34,35)/b6-4-/t19-,20-,21-,22-,23+/m0/s1 TULBSNXJOUAKAW-NPBADNRJSA-N 50586827 CHEMBL5077726 Beta-secretase 1 Homo sapiens 1050000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586827&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626605 476022914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453500 CCC[C@@H]1NC(=O)[C@H](CCCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C28H45N5O6/c1-3-8-22-27(38)31-21(24(34)17-30-19-13-11-18(2)12-14-19)9-6-4-5-7-10-23(28(39)33-22)32-26(37)20(29)15-16-25(35)36/h11-14,20-24,30,34H,3-10,15-17,29H2,1-2H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/t20-,21-,22-,23-,24+/m0/s1 XKOGGOSVXGDATF-QCCYXRBGSA-N 50586828 CHEMBL5082479 Beta-secretase 1 Homo sapiens 780000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586828&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166628629 476022915 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453501 CCC[C@@H]1NC(=O)[C@H](CC\C=C\CC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C28H43N5O6/c1-3-8-22-27(38)31-21(24(34)17-30-19-13-11-18(2)12-14-19)9-6-4-5-7-10-23(28(39)33-22)32-26(37)20(29)15-16-25(35)36/h4-5,11-14,20-24,30,34H,3,6-10,15-17,29H2,1-2H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/b5-4+/t20-,21-,22-,23-,24+/m0/s1 MSEGZCMVINWVOO-OUKXEPDSSA-N 50586829 CHEMBL5083805 Beta-secretase 1 Homo sapiens 380000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586829&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166630310 476022916 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453502 CCC[C@@H]1NC(=O)[C@H](CC\C=C/CC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C28H43N5O6/c1-3-8-22-27(38)31-21(24(34)17-30-19-13-11-18(2)12-14-19)9-6-4-5-7-10-23(28(39)33-22)32-26(37)20(29)15-16-25(35)36/h4-5,11-14,20-24,30,34H,3,6-10,15-17,29H2,1-2H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/b5-4-/t20-,21-,22-,23-,24+/m0/s1 MSEGZCMVINWVOO-WXTHAFNCSA-N 50586830 CHEMBL5081031 Beta-secretase 1 Homo sapiens 1410000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586830&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166628567 476022917 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453503 CCC[C@@H]1NC(=O)[C@H](COCCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C28H45N5O7/c1-3-7-22-27(38)31-21(24(34)16-30-19-11-9-18(2)10-12-19)8-5-4-6-15-40-17-23(28(39)32-22)33-26(37)20(29)13-14-25(35)36/h9-12,20-24,30,34H,3-8,13-17,29H2,1-2H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t20-,21-,22-,23-,24+/m0/s1 NEOXJLOCUVKUJW-QCCYXRBGSA-N 50586831 CHEMBL5093424 Beta-secretase 1 Homo sapiens >1500000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586831&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166631548 476022918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453504 CCC[C@@H]1NC(=O)[C@H](COC\C=C\CC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C28H43N5O7/c1-3-7-22-27(38)31-21(24(34)16-30-19-11-9-18(2)10-12-19)8-5-4-6-15-40-17-23(28(39)32-22)33-26(37)20(29)13-14-25(35)36/h4,6,9-12,20-24,30,34H,3,5,7-8,13-17,29H2,1-2H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b6-4+/t20-,21-,22-,23-,24+/m0/s1 NLSDCWUDGQGCFK-ISJSLOLKSA-N 50586832 CHEMBL5083071 Beta-secretase 1 Homo sapiens >1500000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586832&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166629839 476022919 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453505 CCC[C@@H]1NC(=O)[C@H](COC\C=C/CC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1)NC(=O)[C@@H](N)CCC(O)=O InChI=1S/C28H43N5O7/c1-3-7-22-27(38)31-21(24(34)16-30-19-11-9-18(2)10-12-19)8-5-4-6-15-40-17-23(28(39)32-22)33-26(37)20(29)13-14-25(35)36/h4,6,9-12,20-24,30,34H,3,5,7-8,13-17,29H2,1-2H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b6-4-/t20-,21-,22-,23-,24+/m0/s1 NLSDCWUDGQGCFK-MWLCRPDLSA-N 50586833 CHEMBL5092500 Beta-secretase 1 Homo sapiens >1500000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586833&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634098 476022920 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453506 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)OCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C28H45N5O7/c1-4-7-22-27(38)31-21(23(34)16-30-19-11-9-17(2)10-12-19)8-5-6-15-40-18(3)25(28(39)32-22)33-26(37)20(29)13-14-24(35)36/h9-12,18,20-23,25,30,34H,4-8,13-16,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t18-,20+,21+,22+,23-,25+/m1/s1 RCIZIOOIAYAYAT-KSZOWJIZSA-N 50586834 CHEMBL5094796 Beta-secretase 1 Homo sapiens 1000000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166635551 476022921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453507 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)OC\C=C\C[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C28H43N5O7/c1-4-7-22-27(38)31-21(23(34)16-30-19-11-9-17(2)10-12-19)8-5-6-15-40-18(3)25(28(39)32-22)33-26(37)20(29)13-14-24(35)36/h5-6,9-12,18,20-23,25,30,34H,4,7-8,13-16,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b6-5+/t18-,20+,21+,22+,23-,25+/m1/s1 CFGZAJFOMLZZJG-YGOOPTNBSA-N 50586835 CHEMBL5088890 Beta-secretase 1 Homo sapiens 1420000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586835&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166633245 476022922 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453508 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)OC\C=C/C[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C28H43N5O7/c1-4-7-22-27(38)31-21(23(34)16-30-19-11-9-17(2)10-12-19)8-5-6-15-40-18(3)25(28(39)32-22)33-26(37)20(29)13-14-24(35)36/h5-6,9-12,18,20-23,25,30,34H,4,7-8,13-16,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b6-5-/t18-,20+,21+,22+,23-,25+/m1/s1 CFGZAJFOMLZZJG-KURZDVRXSA-N 50586836 CHEMBL5085833 Beta-secretase 1 Homo sapiens 117000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586836&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166633160 476022923 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453509 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@H](C)OCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C28H45N5O7/c1-4-7-22-27(38)31-21(23(34)16-30-19-11-9-17(2)10-12-19)8-5-6-15-40-18(3)25(28(39)32-22)33-26(37)20(29)13-14-24(35)36/h9-12,18,20-23,25,30,34H,4-8,13-16,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t18-,20-,21-,22-,23+,25-/m0/s1 RCIZIOOIAYAYAT-GGESVUCPSA-N 50586837 CHEMBL5092432 Beta-secretase 1 Homo sapiens 135000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586837&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166631813 476022924 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453510 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@H](C)OC\C=C\C[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C28H43N5O7/c1-4-7-22-27(38)31-21(23(34)16-30-19-11-9-17(2)10-12-19)8-5-6-15-40-18(3)25(28(39)32-22)33-26(37)20(29)13-14-24(35)36/h5-6,9-12,18,20-23,25,30,34H,4,7-8,13-16,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b6-5+/t18-,20-,21-,22-,23+,25-/m0/s1 CFGZAJFOMLZZJG-BUGYKXCZSA-N 50586838 CHEMBL5093796 Beta-secretase 1 Homo sapiens 1000000 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634767 476022925 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453511 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@H](C)OC\C=C/C[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C28H43N5O7/c1-4-7-22-27(38)31-21(23(34)16-30-19-11-9-17(2)10-12-19)8-5-6-15-40-18(3)25(28(39)32-22)33-26(37)20(29)13-14-24(35)36/h5-6,9-12,18,20-23,25,30,34H,4,7-8,13-16,29H2,1-3H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b6-5-/t18-,20-,21-,22-,23+,25-/m0/s1 CFGZAJFOMLZZJG-YUFQOSBYSA-N 50586839 CHEMBL5086065 Beta-secretase 1 Homo sapiens 11700 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634225 476022926 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453512 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)(C)OCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C29H47N5O7/c1-5-8-22-27(39)32-21(23(35)17-31-19-12-10-18(2)11-13-19)9-6-7-16-41-29(3,4)25(28(40)33-22)34-26(38)20(30)14-15-24(36)37/h10-13,20-23,25,31,35H,5-9,14-17,30H2,1-4H3,(H,32,39)(H,33,40)(H,34,38)(H,36,37)/t20-,21-,22-,23+,25+/m0/s1 MEGMEUVQMISROQ-FPDJOHNTSA-N 50586840 CHEMBL5093447 Beta-secretase 1 Homo sapiens 6100 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166631851 476022927 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453513 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)(C)OC\C=C/C[C@H](NC1=O)[C@H](O)CNc1ccc(C)cc1 InChI=1S/C29H45N5O7/c1-5-8-22-27(39)32-21(23(35)17-31-19-12-10-18(2)11-13-19)9-6-7-16-41-29(3,4)25(28(40)33-22)34-26(38)20(30)14-15-24(36)37/h6-7,10-13,20-23,25,31,35H,5,8-9,14-17,30H2,1-4H3,(H,32,39)(H,33,40)(H,34,38)(H,36,37)/b7-6-/t20-,21-,22-,23+,25+/m0/s1 YDTHIGXAFROGAR-CTTVLEHMSA-N 50586841 CHEMBL5092145 Beta-secretase 1 Homo sapiens 3900 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586841&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 163409048 476022928 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453514 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)(C)OCCCC[C@H](NC1=O)[C@H](O)CNc1ccc(CC(O)=O)cc1 InChI=1S/C30H47N5O9/c1-4-7-22-28(42)33-21(23(36)17-32-19-11-9-18(10-12-19)16-25(39)40)8-5-6-15-44-30(2,3)26(29(43)34-22)35-27(41)20(31)13-14-24(37)38/h9-12,20-23,26,32,36H,4-8,13-17,31H2,1-3H3,(H,33,42)(H,34,43)(H,35,41)(H,37,38)(H,39,40)/t20-,21-,22-,23+,26+/m0/s1 DYZVMORDWKALHW-MPJDBJFZSA-N 50586842 CHEMBL5079095 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586842&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166627534 476022929 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51453515 CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)(C)OC\C=C/C[C@H](NC1=O)[C@H](O)CNc1ccc(CC(O)=O)cc1 InChI=1S/C30H45N5O9/c1-4-7-22-28(42)33-21(23(36)17-32-19-11-9-18(10-12-19)16-25(39)40)8-5-6-15-44-30(2,3)26(29(43)34-22)35-27(41)20(31)13-14-24(37)38/h5-6,9-12,20-23,26,32,36H,4,7-8,13-17,31H2,1-3H3,(H,33,42)(H,34,43)(H,35,41)(H,37,38)(H,39,40)/b6-5-/t20-,21-,22-,23+,26+/m0/s1 CSSIDGWPXKPAPN-JTSDAKNZSA-N 50586843 CHEMBL5085067 Beta-secretase 1 Homo sapiens 1200 ChEMBL 10.1016/j.bmc.2021.116517 10.7270/Q2B56PNH 34800875 Otani, T; Hattori, Y; Akaji, K; Kobayashi, K Kyoto Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50586843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50586843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 163409050 476022930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435271 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1C(F)F InChI=1S/C25H24F3N5O/c1-4-16-11-15(12-17(5-2)31-16)25(23(34)33(3)24(29)32-25)14-8-9-20(26)19(13-14)18-7-6-10-30-21(18)22(27)28/h6-13,22H,4-5H2,1-3H3,(H2,29,32)/t25-/m0/s1 KCAUVZVHEBQUAP-VWLOTQADSA-N 50579803 CHEMBL5088971 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579803&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634630 476024808 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435272 C[C@@]1(N=C(N)SCC11CCS(=O)(=O)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1 DZTJZUAOGBUBNK-HXUWFJFHSA-N 50501808 CHEMBL4465534 Beta-secretase 1 Homo sapiens 3.8 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50501808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50501808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C7O 6JSZ,6JSN 138454796 440710393 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435273 COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16?,21-,22-/m1/s1 IPUJINDWAGRAHN-NKDCDXMNSA-N 50579804 CHEMBL5093088 Beta-secretase 1 Homo sapiens 0.400000 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579804&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166635147 476024809 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435274 C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 LQVIUEMPEFSVOL-CPRIZNHFSA-N 50579805 CHEMBL5075689 Beta-secretase 1 Homo sapiens 0.930000 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579805&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0QQ 7F1D,7F1G 162366968 476024810 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435275 CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1 NDIQAOIHFVWZJQ-NHCUHLMSSA-N 50579806 CHEMBL5092328 Beta-secretase 1 Homo sapiens 2.7 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0EW 7N66 156612914 476024811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435276 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)S(C)(=O)=O InChI=1S/C20H21F3N4O3S/c1-19(31(2,29)30)7-8-20(11-21,27-18(19)24)14-9-13(4-5-15(14)23)26-17(28)16-6-3-12(22)10-25-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,24,27)(H,26,28)/t19-,20-/m1/s1 SDKGXKMCISEBDT-WOJBJXKFSA-N 50579807 CHEMBL5074719 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733555 476024812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435277 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O InChI=1S/C20H22F3N5O4S/c1-19(33(2,30)31)5-6-20(10-21,28-18(19)24)13-7-12(3-4-14(13)23)27-17(29)15-8-26-16(9-25-15)32-11-22/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t19-,20-/m1/s1 JBARGSXIUKTHNW-WOJBJXKFSA-N 50579808 CHEMBL5081571 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733921 476024813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435278 COc1cc(ncn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CC[C@](C)(C(N)=N1)S(C)(=O)=O InChI=1S/C20H23F2N5O4S/c1-19(32(3,29)30)6-7-20(10-21,27-18(19)23)13-8-12(4-5-14(13)22)26-17(28)15-9-16(31-2)25-11-24-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,23,27)(H,26,28)/t19-,20-/m1/s1 XXQXCRMADCRFEB-WOJBJXKFSA-N 50579809 CHEMBL5082356 Beta-secretase 1 Homo sapiens 9.5 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0BK 7N4N 156612913 476024814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435279 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C22H24F2N4O5S/c1-21(34(2,30)31)5-6-22(12-23,28-20(21)25)14-9-13(3-4-15(14)24)27-19(29)16-10-17-18(11-26-16)33-8-7-32-17/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m1/s1 MBCUELYFGMRTJD-FGZHOGPDSA-N 50579810 CHEMBL5074678 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166636569 476024815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435280 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C21H22F2N4O5S/c1-20(33(2,29)30)5-6-21(10-22,27-19(20)24)13-7-12(3-4-14(13)23)26-18(28)15-8-16-17(9-25-15)32-11-31-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t20-,21-/m1/s1 IENHUNDDRIGOLX-NHCUHLMSSA-N 50579811 CHEMBL5084928 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634851 476024816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435281 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C23H26F2N4O5S/c1-22(35(2,31)32)6-7-23(13-24,29-21(22)26)15-10-14(4-5-16(15)25)28-20(30)17-11-18-19(12-27-17)34-9-3-8-33-18/h4-5,10-12H,3,6-9,13H2,1-2H3,(H2,26,29)(H,28,30)/t22-,23-/m1/s1 ILGKWKASFQDIRD-DHIUTWEWSA-N 50579812 CHEMBL5075795 Beta-secretase 1 Homo sapiens 28 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626981 476024817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435282 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C22H24F2N4O5S/c1-21(34(2,30)31)5-6-22(12-23,28-20(21)25)14-9-13(3-4-15(14)24)27-19(29)16-10-17-18(11-26-16)33-8-7-32-17/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m1/s1 MBCUELYFGMRTJD-FGZHOGPDSA-N 50579810 CHEMBL5074678 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166636569 476024815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435283 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCC(F)(F)Oc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C22H22F4N4O5S/c1-20(36(2,32)33)5-6-21(10-23,30-19(20)27)13-7-12(3-4-14(13)24)29-18(31)15-8-16-17(9-28-15)35-22(25,26)11-34-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1 VDFJROHWAHSCGE-NHCUHLMSSA-N 50579813 CHEMBL5091877 Beta-secretase 1 Homo sapiens 1.4 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162462187 476024818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435284 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C21H20F4N4O5S/c1-19(35(2,31)32)5-6-20(10-22,29-18(19)26)12-7-11(3-4-13(12)23)28-17(30)14-8-15-16(9-27-14)34-21(24,25)33-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,26,29)(H,28,30)/t19-,20-/m1/s1 RZMDAEJUPWNGRM-WOJBJXKFSA-N 50579814 CHEMBL5090362 Beta-secretase 1 Homo sapiens 3.9 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162462198 476024819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435285 CC(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F InChI=1S/C23H24F4N4O5S/c1-12(2)37(33,34)21(3)6-7-22(11-24,31-20(21)28)14-8-13(4-5-15(14)25)30-19(32)16-9-17-18(10-29-16)36-23(26,27)35-17/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,28,31)(H,30,32)/t21-,22-/m1/s1 GVVBDFYWLNHZJY-FGZHOGPDSA-N 50579815 CHEMBL5089679 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634659 476024820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435301 CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1 NDIQAOIHFVWZJQ-NHCUHLMSSA-N 50579806 CHEMBL5092328 Beta-secretase 1 Homo sapiens 0.210000 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0EW 7N66 156612914 476024811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435304 CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1 NDIQAOIHFVWZJQ-NHCUHLMSSA-N 50579806 CHEMBL5092328 Beta-secretase 1 Homo sapiens 5.1 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579806&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0EW 7N66 156612914 476024811 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435305 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)S(C)(=O)=O InChI=1S/C20H21F3N4O3S/c1-19(31(2,29)30)7-8-20(11-21,27-18(19)24)14-9-13(4-5-15(14)23)26-17(28)16-6-3-12(22)10-25-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,24,27)(H,26,28)/t19-,20-/m1/s1 SDKGXKMCISEBDT-WOJBJXKFSA-N 50579807 CHEMBL5074719 Beta-secretase 1 Homo sapiens 3.3 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579807&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733555 476024812 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435306 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O InChI=1S/C20H22F3N5O4S/c1-19(33(2,30)31)5-6-20(10-21,28-18(19)24)13-7-12(3-4-14(13)23)27-17(29)15-8-26-16(9-25-15)32-11-22/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t19-,20-/m1/s1 JBARGSXIUKTHNW-WOJBJXKFSA-N 50579808 CHEMBL5081571 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733921 476024813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435307 COc1cc(ncn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CC[C@](C)(C(N)=N1)S(C)(=O)=O InChI=1S/C20H23F2N5O4S/c1-19(32(3,29)30)6-7-20(10-21,27-18(19)23)13-8-12(4-5-14(13)22)26-17(28)15-9-16(31-2)25-11-24-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,23,27)(H,26,28)/t19-,20-/m1/s1 XXQXCRMADCRFEB-WOJBJXKFSA-N 50579809 CHEMBL5082356 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579809&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0BK 7N4N 156612913 476024814 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435308 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C22H24F2N4O5S/c1-21(34(2,30)31)5-6-22(12-23,28-20(21)25)14-9-13(3-4-15(14)24)27-19(29)16-10-17-18(11-26-16)33-8-7-32-17/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m1/s1 MBCUELYFGMRTJD-FGZHOGPDSA-N 50579810 CHEMBL5074678 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166636569 476024815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 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Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435309 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C21H22F2N4O5S/c1-20(33(2,29)30)5-6-21(10-22,27-19(20)24)13-7-12(3-4-14(13)23)26-18(28)15-8-16-17(9-25-15)32-11-31-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t20-,21-/m1/s1 IENHUNDDRIGOLX-NHCUHLMSSA-N 50579811 CHEMBL5084928 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579811&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634851 476024816 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435310 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C23H26F2N4O5S/c1-22(35(2,31)32)6-7-23(13-24,29-21(22)26)15-10-14(4-5-16(15)25)28-20(30)17-11-18-19(12-27-17)34-9-3-8-33-18/h4-5,10-12H,3,6-9,13H2,1-2H3,(H2,26,29)(H,28,30)/t22-,23-/m1/s1 ILGKWKASFQDIRD-DHIUTWEWSA-N 50579812 CHEMBL5075795 Beta-secretase 1 Homo sapiens 76 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579812&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166626981 476024817 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435311 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C22H24F2N4O5S/c1-21(34(2,30)31)5-6-22(12-23,28-20(21)25)14-9-13(3-4-15(14)24)27-19(29)16-10-17-18(11-26-16)33-8-7-32-17/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m1/s1 MBCUELYFGMRTJD-FGZHOGPDSA-N 50579810 CHEMBL5074678 Beta-secretase 1 Homo sapiens 2.8 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579810&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166636569 476024815 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435312 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCC(F)(F)Oc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C22H22F4N4O5S/c1-20(36(2,32)33)5-6-21(10-23,30-19(20)27)13-7-12(3-4-14(13)24)29-18(31)15-8-16-17(9-28-15)35-22(25,26)11-34-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1 VDFJROHWAHSCGE-NHCUHLMSSA-N 50579813 CHEMBL5091877 Beta-secretase 1 Homo sapiens 1.3 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579813&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162462187 476024818 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435313 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F)S(C)(=O)=O InChI=1S/C21H20F4N4O5S/c1-19(35(2,31)32)5-6-20(10-22,29-18(19)26)12-7-11(3-4-13(12)23)28-17(30)14-8-15-16(9-27-14)34-21(24,25)33-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,26,29)(H,28,30)/t19-,20-/m1/s1 RZMDAEJUPWNGRM-WOJBJXKFSA-N 50579814 CHEMBL5090362 Beta-secretase 1 Homo sapiens 6.5 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579814&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 162462198 476024819 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51435314 CC(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F InChI=1S/C23H24F4N4O5S/c1-12(2)37(33,34)21(3)6-7-22(11-24,31-20(21)28)14-8-13(4-5-15(14)25)30-19(32)16-9-17-18(10-29-16)36-23(26,27)35-17/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,28,31)(H,30,32)/t21-,22-/m1/s1 GVVBDFYWLNHZJY-FGZHOGPDSA-N 50579815 CHEMBL5089679 Beta-secretase 1 Homo sapiens 6.8 ChEMBL 10.1021/acs.jmedchem.1c00935 10.7270/Q2V69PFZ 34553934 Rombouts, FJR; Kusakabe, KI; Alexander, R; Austin, N; Borghys, H; De Cleyn, M; Dhuyvetter, D; Gijsen, HJM; Hrupka, B; Jacobs, T; Jerhaoui, S; Lammens, L; Leclercq, L; Tsubone, K; Ueno, T; Morimoto, K; Einaru, S; Sumiyoshi, H; Van den Bergh, A; Vos, A; Surkyn, M; Teisman, A; Moechars, D Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166634659 476024820 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51465801 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) KGMPDQIYDKKXRD-UHFFFAOYSA-N 408717 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide ::US10364238, Example 41::US10730874, Example 00397::US11001578, Example 41::US11084809, Example 41::US11198691, Example 41::US11352356, Table II.3::US11584735, Example 41 of WO2016/083820 Beta-secretase 1 Homo sapiens >10000 ChEMBL 10.7270/Q2HT2TBQ 36251573 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Stocks, MJ; Smith, AJ; Rushbrooke, LJ; Pethen, SJ; Roe, MB; Clark, DE; McEwan, PA; Hampton, SL KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=408717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=408717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 121365142 406799348 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51466179 C[C@H]1OC(=O)[C@]23C(=C)[C@](C)(OC(=O)[C@]12O)[C@@H](O)C1=C2CO[C@H]4CC(=O)OC(C)(C)[C@@]24CC[C@]31C InChI=1S/C25H30O9/c1-11-22(6)17(27)16-13-10-31-14-9-15(26)33-20(3,4)23(13,14)8-7-21(16,5)24(11)18(28)32-12(2)25(24,30)19(29)34-22/h12,14,17,27,30H,1,7-10H2,2-6H3/t12-,14+,17+,21+,22+,23+,24+,25-/m1/s1 KUCIXBSTGWHAFD-KGWQHKOWSA-N 50591630 CHEMBL5194590 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.7270/Q2QC07J0 33032085 Zhao, M; Tang, Y; Xie, J; Zhao, Z; Cui, H Guangzhou University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50591630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50591630&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 139589522 482602482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51466180 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 260 ChEMBL 10.7270/Q2QC07J0 33032085 Zhao, M; Tang, Y; Xie, J; Zhao, Z; Cui, H Guangzhou University of Chinese Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51463179 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 RQNDBCCGDQWADT-UHFFFAOYSA-N 50231951 2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione::CHEMBL231160::memoquin Beta-secretase 1 Homo sapiens 108 ChEMBL 10.7270/Q2FB56XK 35635955 Sang, Z; Wang, K; Dong, J; Tang, L Guizhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50231951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50231951&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 91615478 104055375 CHEMBL231160 ZINC34803904 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51463197 NC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C9H9FN4O/c10-6-3-1-5(2-4-6)7-12-8(11)14-9(15)13-7/h1-4,7H,(H4,11,12,13,14,15) IIPYBCQHBOPOGK-UHFFFAOYSA-N 50138465 CHEMBL3752684 Beta-secretase 1 Homo sapiens 18030 ChEMBL 10.7270/Q2FB56XK 35635955 Sang, Z; Wang, K; Dong, J; Tang, L Guizhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138465&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44365237 85538617 CHEMBL3752684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270969 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C20H20F3N5O4/c21-9-20(13-8-30-4-3-16(13)32-19(24)28-20)12-5-11(1-2-14(12)23)27-18(29)15-6-26-17(7-25-15)31-10-22/h1-2,5-7,13,16H,3-4,8-10H2,(H2,24,28)(H,27,29)/t13-,16+,20+/m0/s1 YXTYGOCNWIKXCV-GQWAEJPESA-N 600674 US11629154, Example I-007 Beta-secretase 1 Homo sapiens 7.40 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600674&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685660 482091792 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270971 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H22F3N5O4/c1-11-4-17-14(8-31-11)21(9-22,29-20(25)33-17)13-5-12(2-3-15(13)24)28-19(30)16-6-27-18(7-26-16)32-10-23/h2-3,5-7,11,14,17H,4,8-10H2,1H3,(H2,25,29)(H,28,30)/t11-,14+,17-,21-/m1/s1 RQABIJHLAUNHPG-PVYVRIBNSA-N 600704 US11629154, Example I-008 Beta-secretase 1 Homo sapiens 14.8 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600704&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160211814 482091821 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270973 CC[C@@H]1OCC[C@H]2OC(N)=N[C@@](CF)([C@@H]12)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H24F3N5O4/c1-2-16-19-17(5-6-32-16)34-21(26)30-22(19,10-23)13-7-12(3-4-14(13)25)29-20(31)15-8-28-18(9-27-15)33-11-24/h3-4,7-9,16-17,19H,2,5-6,10-11H2,1H3,(H2,26,30)(H,29,31)/t16-,17+,19-,22+/m0/s1 BSRCDFPNSALFHV-WCIYBSDLSA-N 600705 US11629154, Example I-009 Beta-secretase 1 Homo sapiens 15.5 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600705&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 160211817 482091822 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270975 NC1=N[C@@](CF)([C@H]2[C@H](CF)OCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H21F4N5O4/c22-6-16-18-15(3-4-32-16)34-20(26)30-21(18,9-23)12-5-11(1-2-13(12)25)29-19(31)14-7-28-17(8-27-14)33-10-24/h1-2,5,7-8,15-16,18H,3-4,6,9-10H2,(H2,26,30)(H,29,31)/t15-,16+,18-,21-/m1/s1 ZPGDPUUJWURWDA-VWFIUDSGSA-N 600706 US11629154, Example I-010 Beta-secretase 1 Homo sapiens 10.7 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600706&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685664 482091823 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270977 C[C@@H]1OCC[C@H]2OC(N)=N[C@@](CF)([C@@H]12)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H22F3N5O4/c1-11-18-16(4-5-31-11)33-20(25)29-21(18,9-22)13-6-12(2-3-14(13)24)28-19(30)15-7-27-17(8-26-15)32-10-23/h2-3,6-8,11,16,18H,4-5,9-10H2,1H3,(H2,25,29)(H,28,30)/t11-,16+,18-,21+/m0/s1 XKENBMDDTZXEKW-CZVRZMEQSA-N 600707 US11629154, Example I-011 Beta-secretase 1 Homo sapiens 13.2 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600707&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685671 482091824 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270979 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C21H20F2N8O3/c22-9-21(14-8-33-4-3-17(14)34-20(24)30-21)13-5-12(1-2-15(13)23)29-19(32)16-6-27-18(7-26-16)31-11-25-10-28-31/h1-2,5-7,10-11,14,17H,3-4,8-9H2,(H2,24,30)(H,29,32)/t14-,17+,21+/m0/s1 SAAJIBMADZFSMR-AVBTWRTFSA-N 600708 US11629154, Example I-047 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600708&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685667 482091825 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270981 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F InChI=1S/C22H22F2N8O3/c1-12-4-18-15(8-34-12)22(9-23,31-21(25)35-18)14-5-13(2-3-16(14)24)30-20(33)17-6-28-19(7-27-17)32-11-26-10-29-32/h2-3,5-7,10-12,15,18H,4,8-9H2,1H3,(H2,25,31)(H,30,33)/t12-,15+,18-,22-/m1/s1 USWBXKGJJISWBW-JDNIFBSVSA-N 600709 US11629154, Example I-059 Beta-secretase 1 Homo sapiens 8.70 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600709&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685802 482091826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270983 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OCF)cn2)cc(F)c1F InChI=1S/C21H21F4N5O4/c1-10-2-16-13(7-32-10)21(8-22,30-20(26)34-16)12-3-11(4-14(24)18(12)25)29-19(31)15-5-28-17(6-27-15)33-9-23/h3-6,10,13,16H,2,7-9H2,1H3,(H2,26,30)(H,29,31)/t10-,13+,16-,21-/m1/s1 AJIXLYDRPLVPBI-ZDDLIGRPSA-N 600710 US11629154, Example I-061 Beta-secretase 1 Homo sapiens 17.4 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600710&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685725 482091827 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270985 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1Cl InChI=1S/C21H22ClF2N5O4/c1-11-4-17-14(8-31-11)21(9-23,29-20(25)33-17)13-5-12(2-3-15(13)22)28-19(30)16-6-27-18(7-26-16)32-10-24/h2-3,5-7,11,14,17H,4,8-10H2,1H3,(H2,25,29)(H,28,30)/t11-,14+,17-,21-/m1/s1 SXICUVROFWVNNO-PVYVRIBNSA-N 600711 US11629154, Example I-065 Beta-secretase 1 Homo sapiens 9.50 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600711&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685723 482091828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270987 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12 InChI=1S/C20H21F2N5O4/c1-29-17-8-24-15(7-25-17)18(28)26-11-2-3-14(22)12(6-11)20(10-21)13-9-30-5-4-16(13)31-19(23)27-20/h2-3,6-8,13,16H,4-5,9-10H2,1H3,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 OSFHPOAOIIYIOC-GQWAEJPESA-N 600713 US11629154, Example I-067::US11629154, Example I-104 Beta-secretase 1 Homo sapiens 8.90 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685666 482091830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270989 COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@@H](C)OC[C@H]12 InChI=1S/C21H23ClFN5O4/c1-11-5-17-14(9-31-11)21(10-23,28-20(24)32-17)13-6-12(3-4-15(13)22)27-19(29)16-7-26-18(30-2)8-25-16/h3-4,6-8,11,14,17H,5,9-10H2,1-2H3,(H2,24,28)(H,27,29)/t11-,14+,17-,21-/m1/s1 IHFWWLNJKOKOAJ-PVYVRIBNSA-N 600714 US11629154, Example I-068 Beta-secretase 1 Homo sapiens 11.2 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600714&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685708 482091831 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270991 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@@H](C)OC[C@H]12 InChI=1S/C21H23F2N5O4/c1-11-5-17-14(9-31-11)21(10-22,28-20(24)32-17)13-6-12(3-4-15(13)23)27-19(29)16-7-26-18(30-2)8-25-16/h3-4,6-8,11,14,17H,5,9-10H2,1-2H3,(H2,24,28)(H,27,29)/t11-,14+,17-,21-/m1/s1 ZLSNBEALWSIECG-PVYVRIBNSA-N 600716 US11629154, Example I-069 Beta-secretase 1 Homo sapiens 11.7 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600716&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685706 482091833 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270993 C[C@H]1COC[C@H]2[C@@H]1OC(N)=N[C@]2(CF)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H22F3N5O4/c1-11-7-31-8-14-18(11)33-20(25)29-21(14,9-22)13-4-12(2-3-15(13)24)28-19(30)16-5-27-17(6-26-16)32-10-23/h2-6,11,14,18H,7-10H2,1H3,(H2,25,29)(H,28,30)/t11-,14-,18+,21+/m0/s1 DSRIIJFGTZGGNU-DIAIMSLDSA-N 600717 US11629154, Example I-074 Beta-secretase 1 Homo sapiens 4.30 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600717&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 157905509 482091834 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270995 C[C@@H]1COC[C@H]2[C@@H]1OC(N)=N[C@]2(CF)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C21H22F3N5O4/c1-11-7-31-8-14-18(11)33-20(25)29-21(14,9-22)13-4-12(2-3-15(13)24)28-19(30)16-5-27-17(6-26-16)32-10-23/h2-6,11,14,18H,7-10H2,1H3,(H2,25,29)(H,28,30)/t11-,14+,18-,21-/m1/s1 DSRIIJFGTZGGNU-FTKGLCEHSA-N 600718 US11629154, Example I-075 Beta-secretase 1 Homo sapiens 26.0 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600718&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 163530624 482091835 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270997 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F InChI=1S/C20H19F4N5O4/c21-9-20(12-8-31-4-3-15(12)32-19(25)29-20)11-5-10(1-2-13(11)22)28-17(30)14-6-27-16(7-26-14)33-18(23)24/h1-2,5-7,12,15,18H,3-4,8-9H2,(H2,25,29)(H,28,30)/t12-,15+,20+/m0/s1 NDDSPERPVKPVPR-PGICJIBASA-N 600720 US11629154, Example I-076 Beta-secretase 1 Homo sapiens 2.80 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600720&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 159746951 482091837 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1270999 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F InChI=1S/C21H20F5N5O4/c22-9-20(13-8-33-4-3-16(13)35-19(27)31-20)12-5-11(1-2-14(12)23)30-18(32)15-6-29-17(7-28-15)34-10-21(24,25)26/h1-2,5-7,13,16H,3-4,8-10H2,(H2,27,31)(H,30,32)/t13-,16+,20+/m0/s1 JRSOLCIGJBMMKS-GQWAEJPESA-N 600721 US11629154, Example I-077 Beta-secretase 1 Homo sapiens 8.10 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600721&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168300261 482091838 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271001 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F InChI=1S/C21H20F4N4O4/c22-10-21(14-9-31-6-5-17(14)33-20(26)29-21)13-7-11(1-3-15(13)23)28-18(30)16-4-2-12(8-27-16)32-19(24)25/h1-4,7-8,14,17,19H,5-6,9-10H2,(H2,26,29)(H,28,30)/t14-,17+,21+/m0/s1 HBSRNRPUDBWLBP-AVBTWRTFSA-N 600722 US11629154, Example I-078 Beta-secretase 1 Homo sapiens 9.80 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600722&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685672 482091839 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271003 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F InChI=1S/C21H21F4N5O4/c22-10-21(13-8-32-4-3-16(13)34-20(26)30-21)12-5-11(1-2-14(12)23)29-19(31)15-6-28-18(7-27-15)33-9-17(24)25/h1-2,5-7,13,16-17H,3-4,8-10H2,(H2,26,30)(H,29,31)/t13-,16+,21+/m0/s1 IPXMMJGYIYVANU-CQURBHOASA-N 600723 US11629154, Example I-079 Beta-secretase 1 Homo sapiens 18.6 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600723&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685812 482091840 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271005 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3(F)CC3)cn2)ccc1F InChI=1S/C23H24F3N5O4/c24-11-23(15-10-33-6-3-18(15)35-21(27)31-23)14-7-13(1-2-16(14)25)30-20(32)17-8-29-19(9-28-17)34-12-22(26)4-5-22/h1-2,7-9,15,18H,3-6,10-12H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1 PWVNAGLRNFDMHA-TUVUNVSASA-N 600724 US11629154, Example I-086 Beta-secretase 1 Homo sapiens 10.00 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600724&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685714 482091841 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271007 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C21H21F4N5O3/c1-10-4-17-13(8-32-10)21(9-22,30-20(26)33-17)12-5-11(2-3-14(12)23)29-19(31)16-7-27-15(6-28-16)18(24)25/h2-3,5-7,10,13,17-18H,4,8-9H2,1H3,(H2,26,30)(H,29,31)/t10-,13+,17-,21-/m1/s1 HTHVPNAIXANCLW-ASZXEFKXSA-N 600725 US11629154, Example I-088 Beta-secretase 1 Homo sapiens 55.0 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600725&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 158581574 482091842 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271009 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F InChI=1S/C21H21F4N5O4/c1-10-4-16-13(8-32-10)21(9-22,30-20(26)33-16)12-5-11(2-3-14(12)23)29-18(31)15-6-28-17(7-27-15)34-19(24)25/h2-3,5-7,10,13,16,19H,4,8-9H2,1H3,(H2,26,30)(H,29,31)/t10-,13+,16-,21-/m1/s1 HUGJYJYCKIZHPF-ZDDLIGRPSA-N 600726 US11629154, Example I-089 Beta-secretase 1 Homo sapiens 9.80 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600726&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 158589416 482091843 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271011 CC[C@@H]1OCC[C@H]2OC(N)=N[C@@](CF)([C@@H]12)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F InChI=1S/C22H23F4N5O4/c1-2-15-18-16(5-6-33-15)34-21(27)31-22(18,10-23)12-7-11(3-4-13(12)24)30-19(32)14-8-29-17(9-28-14)35-20(25)26/h3-4,7-9,15-16,18,20H,2,5-6,10H2,1H3,(H2,27,31)(H,30,32)/t15-,16+,18-,22+/m0/s1 NCDOUPMIVBVXDG-QCMGHPBJSA-N 600727 US11629154, Example I-094 Beta-secretase 1 Homo sapiens 5.90 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600727&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685728 482091844 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271013 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C22H21F5N4O3/c1-11-6-18-15(9-33-11)21(10-23,31-20(28)34-18)14-7-13(3-4-16(14)24)30-19(32)17-5-2-12(8-29-17)22(25,26)27/h2-5,7-8,11,15,18H,6,9-10H2,1H3,(H2,28,31)(H,30,32)/t11-,15+,18-,21-/m1/s1 RWNDELUSVFZJSV-GZYMPLJNSA-N 600728 US11629154, Example I-099 Beta-secretase 1 Homo sapiens 19.1 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600728&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685810 482091845 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271015 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2ncc(cc2C)C(F)(F)F)ccc1F InChI=1S/C23H23F5N4O3/c1-11-5-13(23(26,27)28)8-30-19(11)20(33)31-14-3-4-17(25)15(7-14)22(10-24)16-9-34-12(2)6-18(16)35-21(29)32-22/h3-5,7-8,12,16,18H,6,9-10H2,1-2H3,(H2,29,32)(H,31,33)/t12-,16+,18-,22-/m1/s1 XXABZIUAWLZRJV-JUOFYSQLSA-N 600729 US11629154, Example I-100 Beta-secretase 1 Homo sapiens 16.6 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600729&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685669 482091846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271017 C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C22H20ClF5N4O3/c1-10-4-17-14(8-34-10)21(9-24,32-20(29)35-17)13-6-12(2-3-16(13)25)31-19(33)18-15(23)5-11(7-30-18)22(26,27)28/h2-3,5-7,10,14,17H,4,8-9H2,1H3,(H2,29,32)(H,31,33)/t10-,14+,17-,21-/m1/s1 BERGZMIVUMKXAJ-ZDYJSIIZSA-N 600730 US11629154, Example I-101 Beta-secretase 1 Homo sapiens 28.2 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600730&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685780 482091847 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271019 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H18F5N5O3/c21-9-19(12-8-32-4-3-15(12)33-18(26)30-19)11-5-10(1-2-13(11)22)29-17(31)14-6-28-16(7-27-14)20(23,24)25/h1-2,5-7,12,15H,3-4,8-9H2,(H2,26,30)(H,29,31)/t12-,15+,19+/m0/s1 WWMUJNOGRJAFEV-IOHHAYIISA-N 600731 US11629154, Example I-102::US11629154, Example I-107 Beta-secretase 1 Homo sapiens 33.9 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685679 482091848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271021 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C20H19F4N5O3/c21-9-20(12-8-31-4-3-16(12)32-19(25)29-20)11-5-10(1-2-13(11)22)28-18(30)15-7-26-14(6-27-15)17(23)24/h1-2,5-7,12,16-17H,3-4,8-9H2,(H2,25,29)(H,28,30)/t12-,16+,20+/m0/s1 AFQJGQCQKMRZCS-BXJCWQANSA-N 600732 US11629154, Example I-103 Beta-secretase 1 Homo sapiens 21.9 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600732&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685710 482091849 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271023 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12 InChI=1S/C20H21F2N5O4/c1-29-17-8-24-15(7-25-17)18(28)26-11-2-3-14(22)12(6-11)20(10-21)13-9-30-5-4-16(13)31-19(23)27-20/h2-3,6-8,13,16H,4-5,9-10H2,1H3,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1 OSFHPOAOIIYIOC-GQWAEJPESA-N 600713 US11629154, Example I-067::US11629154, Example I-104 Beta-secretase 1 Homo sapiens 14.5 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600713&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685666 482091830 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271025 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F InChI=1S/C21H19F5N4O3/c22-10-20(14-9-32-6-5-17(14)33-19(27)30-20)13-7-12(2-3-15(13)23)29-18(31)16-4-1-11(8-28-16)21(24,25)26/h1-4,7-8,14,17H,5-6,9-10H2,(H2,27,30)(H,29,31)/t14-,17+,20+/m0/s1 HRZWCCZSHXFKMY-JNAXZKDPSA-N 600734 US11629154, Example I-105 Beta-secretase 1 Homo sapiens 17.0 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600734&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 163625944 482091850 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271027 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12)C(F)(F)F InChI=1S/C22H21F5N4O3/c1-11-6-12(22(25,26)27)8-29-18(11)19(32)30-13-2-3-16(24)14(7-13)21(10-23)15-9-33-5-4-17(15)34-20(28)31-21/h2-3,6-8,15,17H,4-5,9-10H2,1H3,(H2,28,31)(H,30,32)/t15-,17+,21+/m0/s1 HYNJCTRLWODCLC-LUQKVYGDSA-N 600735 US11629154, Example I-106 Beta-secretase 1 Homo sapiens 14.2 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600735&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685815 482091851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271029 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F InChI=1S/C20H18F5N5O3/c21-9-19(12-8-32-4-3-15(12)33-18(26)30-19)11-5-10(1-2-13(11)22)29-17(31)14-6-28-16(7-27-14)20(23,24)25/h1-2,5-7,12,15H,3-4,8-9H2,(H2,26,30)(H,29,31)/t12-,15+,19+/m0/s1 WWMUJNOGRJAFEV-IOHHAYIISA-N 600731 US11629154, Example I-102::US11629154, Example I-107 Beta-secretase 1 Homo sapiens 53.7 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600731&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685679 482091848 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271031 NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C21H18ClF5N4O3/c22-14-5-10(21(25,26)27)7-29-17(14)18(32)30-11-1-2-15(24)12(6-11)20(9-23)13-8-33-4-3-16(13)34-19(28)31-20/h1-2,5-7,13,16H,3-4,8-9H2,(H2,28,31)(H,30,32)/t13-,16+,20+/m0/s1 UGIYXLBNUCEFPQ-GQWAEJPESA-N 600737 US11629154, Example I-108 Beta-secretase 1 Homo sapiens 20.0 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600737&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 166685668 482091852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271033 CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12 InChI=1S/C21H23F2N5O4/c1-2-31-18-9-25-16(8-26-18)19(29)27-12-3-4-15(23)13(7-12)21(11-22)14-10-30-6-5-17(14)32-20(24)28-21/h3-4,7-9,14,17H,2,5-6,10-11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1 PWWLXZNIRASOLL-AVBTWRTFSA-N 600738 US11629154, Example I-109 Beta-secretase 1 Homo sapiens 22.4 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600738&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 163885377 482091853 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 1271035 NC1=N[C@@](CF)([C@H]2COC3(CC3)C[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F InChI=1S/C22H22F3N5O4/c23-10-22(14-9-33-21(3-4-21)6-17(14)34-20(26)30-22)13-5-12(1-2-15(13)25)29-19(31)16-7-28-18(8-27-16)32-11-24/h1-2,5,7-8,14,17H,3-4,6,9-11H2,(H2,26,30)(H,29,31)/t14-,17+,22+/m0/s1 DEEKNEXHCLERSB-WTBBCNCBSA-N 600739 US11629154, Example II-1 Beta-secretase 1 Homo sapiens 21.9 US Patent 10.7270/Q2R78K55 US11629154 Tadano, G; Suzuki, S; Kusakabe, K SHIONOGI & CO., LTD. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=600739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=600739&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 157779492 482091854 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51455595 NC1=NC(CC(=O)N1)c1ccc(F)cc1 InChI=1S/C10H10FN3O/c11-7-3-1-6(2-4-7)8-5-9(15)14-10(12)13-8/h1-4,8H,5H2,(H3,12,13,14,15) WDWGKCXMGPQXJD-UHFFFAOYSA-N 50587666 CHEMBL5200940 Beta-secretase 1 Homo sapiens 18030 ChEMBL 10.7270/Q2CF9V25 33346659 De Simone, A; Tumiatti, V; Andrisano, V; Milelli, A University of Turin http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587666&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 22426113 482598518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51455597 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 InChI=1S/C17H17FN4O2/c1-2-3-15-8-16(21-24-15)17(23)20-14-9-19-22(11-14)10-12-4-6-13(18)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,20,23) MJBZMUZAEXQVAB-UHFFFAOYSA-N 41542 US8865911, 122 Beta-secretase 1 Homo sapiens 0.600000 ChEMBL 10.7270/Q2CF9V25 33346659 De Simone, A; Tumiatti, V; Andrisano, V; Milelli, A University of Turin http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 67979346 249815366 ZINC03909028 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51455598 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 50580216 MK-8931::SCH 900931::SCH-900931::SCH900931::VERUBECESTAT::Verubecestat Beta-secretase 1 Homo sapiens 2.2 ChEMBL 10.7270/Q2CF9V25 33346659 De Simone, A; Tumiatti, V; Andrisano, V; Milelli, A University of Turin http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66F 7D5B,5HU1,7D2V 51352361 476025221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51455599 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 ILCHBMXUEANZSX-KRWDZBQOSA-N 116301 US8637504, 76::US9273053, 76::US9650371, 76 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.7270/Q2CF9V25 33346659 De Simone, A; Tumiatti, V; Andrisano, V; Milelli, A University of Turin http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=116301&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 53242161 199996685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51455600 C[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1 AACUJFVOHGRMTR-DPXNYUHVSA-N 50510823 E-2609::E2609::Elenbecestat Beta-secretase 1 Homo sapiens 27 ChEMBL 10.7270/Q2CF9V25 33346659 De Simone, A; Tumiatti, V; Andrisano, V; Milelli, A University of Turin http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50510823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50510823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 57827330 440719405 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51491998 CC(C)(C)C(=O)N[C@H]1CC[C@@H]2Oc3ccc(cc3C3(CSC(N)=N3)[C@H]2C1)-c1cncc(F)c1 InChI=1S/C25H29FN4O2S/c1-24(2,3)22(31)29-17-5-7-21-19(10-17)25(13-33-23(27)30-25)18-9-14(4-6-20(18)32-21)15-8-16(26)12-28-11-15/h4,6,8-9,11-12,17,19,21H,5,7,10,13H2,1-3H3,(H2,27,30)(H,29,31)/t17-,19-,21-,25?/m0/s1 WWZIHCZWEDIUHT-YFJUXBJCSA-N 50601401 CHEMBL5201184 Beta-secretase 1 Homo sapiens 1.1 ChEMBL 10.7270/Q2BC43MB 33310284 Maia, M; Resende, DISP; Durães, F; Pinto, MMM; Sousa, E CIIMAR http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50601401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50601401&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71741340 482612253 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51491999 CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 CHZHWZAKWGFQNL-DEOSSOPVSA-N 50031612 CHEMBL3354688 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.7270/Q2BC43MB 33310284 Maia, M; Resende, DISP; Durães, F; Pinto, MMM; Sousa, E CIIMAR http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031612&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3LN 4RCE 45256109 313066105 CHEMBL3354688 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51456075 COc1cc(\C=C\c2nnc(o2)-c2ccc(cc2)C(F)(F)F)ccc1O InChI=1S/C18H13F3N2O3/c1-25-15-10-11(2-8-14(15)24)3-9-16-22-23-17(26-16)12-4-6-13(7-5-12)18(19,20)21/h2-10,24H,1H3/b9-3+ JYQOQNLXJDCXHD-YCRREMRBSA-N 50587753 CHEMBL5190569 Beta-secretase 1 Homo sapiens 255 ChEMBL 10.7270/Q2PR80XJ 33662757 Singh, YP; Rai, H; Singh, G; Singh, GK; Mishra, S; Kumar, S; Srikrishna, S; Modi, G Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168281596 482598605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51456076 COc1cc(\C=C\c2nnc(o2)-c2ccc(OC(F)(F)F)cc2)ccc1O InChI=1S/C18H13F3N2O4/c1-25-15-10-11(2-8-14(15)24)3-9-16-22-23-17(26-16)12-4-6-13(7-5-12)27-18(19,20)21/h2-10,24H,1H3/b9-3+ HDXNOXGBBUGQSX-YCRREMRBSA-N 50587754 CHEMBL5197518 Beta-secretase 1 Homo sapiens 210 ChEMBL 10.7270/Q2PR80XJ 33662757 Singh, YP; Rai, H; Singh, G; Singh, GK; Mishra, S; Kumar, S; Srikrishna, S; Modi, G Indian Institute of Technology (Banaras Hindu University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168284799 482598606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51473923 CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17) XWRLROSVVBGPPA-UHFFFAOYSA-N 394123 US9975861, 3::US9975861, 4::US9975861, 5 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.7270/Q2CV4NQF 33139110 Wang, L; Bharti, na; Kumar, R; Pavlov, PF; Winblad, B Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136728217 405264235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479261 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 HVMRBCNORJDLCW-IBGZPJMESA-N 209918 US9273042, 7::US9556135, 17 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562573 328082893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479262 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H19FN6O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)15-12(20)5-7-14(24-15)25-16(27)13-6-4-11(8-21)9-23-13/h4-7,9H,10H2,1-3H3,(H2,22,26)(H,24,25,27)/t19-/m0/s1 LTYYZTCFGRCEBL-IBGZPJMESA-N 50596243 CHEMBL5174392 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095119 482607095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479263 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 50580216 MK-8931::SCH 900931::SCH-900931::SCH900931::VERUBECESTAT::Verubecestat Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66F 7D5B,5HU1,7D2V 51352361 476025221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479264 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1 InChI=1S/C19H21F2N5O4S/c1-18(10-31(28,29)19(2,9-20)17(22)26-18)12-6-11(4-5-13(12)21)25-16(27)14-7-24-15(30-3)8-23-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t18-,19-/m0/s1 DDJPZDFVKYYYNV-OALUTQOASA-N 50596244 CHEMBL5208596 Beta-secretase 1 Homo sapiens 5.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168295247 482607096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479265 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1 InChI=1S/C19H21F2N5O4S/c1-18(10-31(28,29)19(2,9-20)17(22)26-18)12-6-11(4-5-13(12)21)25-16(27)14-7-24-15(30-3)8-23-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t18-,19+/m0/s1 DDJPZDFVKYYYNV-RBUKOAKNSA-N 50596245 CHEMBL5195634 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168289950 482607097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479266 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1 InChI=1S/C19H20F3N5O4S/c1-18(9-32(29,30)19(2,16(21)22)17(23)27-18)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28)/t18-,19-/m0/s1 YMJXPRAOJWHLBN-OALUTQOASA-N 50596246 CHEMBL5203915 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168293563 482607098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479267 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1 InChI=1S/C19H20F3N5O4S/c1-18(9-32(29,30)19(2,16(21)22)17(23)27-18)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28)/t18-,19+/m0/s1 YMJXPRAOJWHLBN-RBUKOAKNSA-N 50596247 CHEMBL5170080 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168268948 482607099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479268 C[C@]1(CS(=O)(=O)[C@@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18F2N6O3S/c1-18(10-31(29,30)19(2,9-20)17(23)27-18)15-12(21)4-6-14(25-15)26-16(28)13-5-3-11(7-22)8-24-13/h3-6,8H,9-10H2,1-2H3,(H2,23,27)(H,25,26,28)/t18-,19-/m0/s1 GNWNOQLLBKOHTC-OALUTQOASA-N 50596248 CHEMBL5194897 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168285054 482607100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479269 C[C@]1(CS(=O)(=O)[C@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18F2N6O3S/c1-18(10-31(29,30)19(2,9-20)17(23)27-18)15-12(21)4-6-14(25-15)26-16(28)13-5-3-11(7-22)8-24-13/h3-6,8H,9-10H2,1-2H3,(H2,23,27)(H,25,26,28)/t18-,19+/m0/s1 GNWNOQLLBKOHTC-RBUKOAKNSA-N 50596249 CHEMBL5170892 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168270151 482607101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479270 C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F3N6O3S/c1-18(9-32(30,31)19(2,16(21)22)17(24)28-18)14-11(20)4-6-13(26-14)27-15(29)12-5-3-10(7-23)8-25-12/h3-6,8,16H,9H2,1-2H3,(H2,24,28)(H,26,27,29)/t18-,19-/m0/s1 UTJCZTUJQZPFNJ-OALUTQOASA-N 50596250 CHEMBL5204704 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168294201 482607102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479271 C[C@]1(CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F3N6O3S/c1-18(9-32(30,31)19(2,16(21)22)17(24)28-18)14-11(20)4-6-13(26-14)27-15(29)12-5-3-10(7-23)8-25-12/h3-6,8,16H,9H2,1-2H3,(H2,24,28)(H,26,27,29)/t18-,19+/m0/s1 UTJCZTUJQZPFNJ-RBUKOAKNSA-N 50596251 CHEMBL5197842 Beta-secretase 1 Homo sapiens 10.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168288231 482607103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479272 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1)C#N InChI=1S/C20H20F2N6O3S/c1-11-6-12(7-23)8-25-15(11)17(29)27-14-5-4-13(22)16(26-14)19(2)10-32(30,31)20(3,9-21)18(24)28-19/h4-6,8H,9-10H2,1-3H3,(H2,24,28)(H,26,27,29)/t19-,20-/m0/s1 JAVXNEFHLKIHME-PMACEKPBSA-N 50596252 CHEMBL5190011 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168283600 482607104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479273 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1)C#N InChI=1S/C20H20F2N6O3S/c1-11-6-12(7-23)8-25-15(11)17(29)27-14-5-4-13(22)16(26-14)19(2)10-32(30,31)20(3,9-21)18(24)28-19/h4-6,8H,9-10H2,1-3H3,(H2,24,28)(H,26,27,29)/t19-,20+/m0/s1 JAVXNEFHLKIHME-VQTJNVASSA-N 50596253 CHEMBL5203401 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168293021 482607105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479274 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)C#N InChI=1S/C20H19F3N6O3S/c1-10-6-11(7-24)8-26-14(10)16(30)28-13-5-4-12(21)15(27-13)19(2)9-33(31,32)20(3,17(22)23)18(25)29-19/h4-6,8,17H,9H2,1-3H3,(H2,25,29)(H,27,28,30)/t19-,20-/m0/s1 IWBMTMOXRFICLO-PMACEKPBSA-N 50596254 CHEMBL5198665 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168290037 482607106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479275 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)C#N InChI=1S/C20H19F3N6O3S/c1-10-6-11(7-24)8-26-14(10)16(30)28-13-5-4-12(21)15(27-13)19(2)9-33(31,32)20(3,17(22)23)18(25)29-19/h4-6,8,17H,9H2,1-3H3,(H2,25,29)(H,27,28,30)/t19-,20+/m0/s1 IWBMTMOXRFICLO-VQTJNVASSA-N 50596255 CHEMBL5195553 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168287151 482607107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479276 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 HVMRBCNORJDLCW-IBGZPJMESA-N 209918 US9273042, 7::US9556135, 17 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=209918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=209918&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66562573 328082893 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479277 CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H19FN6O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)15-12(20)5-7-14(24-15)25-16(27)13-6-4-11(8-21)9-23-13/h4-7,9H,10H2,1-3H3,(H2,22,26)(H,24,25,27)/t19-/m0/s1 LTYYZTCFGRCEBL-IBGZPJMESA-N 50596243 CHEMBL5174392 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596243&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89095119 482607095 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479278 CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 YHYKUSGACIYRML-KRWDZBQOSA-N 50580216 MK-8931::SCH 900931::SCH-900931::SCH900931::VERUBECESTAT::Verubecestat Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50580216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50580216&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 66F 7D5B,5HU1,7D2V 51352361 476025221 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479279 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1 InChI=1S/C19H21F2N5O4S/c1-18(10-31(28,29)19(2,9-20)17(22)26-18)12-6-11(4-5-13(12)21)25-16(27)14-7-24-15(30-3)8-23-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t18-,19-/m0/s1 DDJPZDFVKYYYNV-OALUTQOASA-N 50596244 CHEMBL5208596 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596244&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168295247 482607096 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479280 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1 InChI=1S/C19H21F2N5O4S/c1-18(10-31(28,29)19(2,9-20)17(22)26-18)12-6-11(4-5-13(12)21)25-16(27)14-7-24-15(30-3)8-23-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t18-,19+/m0/s1 DDJPZDFVKYYYNV-RBUKOAKNSA-N 50596245 CHEMBL5195634 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596245&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168289950 482607097 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479281 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1 InChI=1S/C19H20F3N5O4S/c1-18(9-32(29,30)19(2,16(21)22)17(23)27-18)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28)/t18-,19-/m0/s1 YMJXPRAOJWHLBN-OALUTQOASA-N 50596246 CHEMBL5203915 Beta-secretase 1 Homo sapiens 30 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596246&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168293563 482607098 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479282 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1 InChI=1S/C19H20F3N5O4S/c1-18(9-32(29,30)19(2,16(21)22)17(23)27-18)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28)/t18-,19+/m0/s1 YMJXPRAOJWHLBN-RBUKOAKNSA-N 50596247 CHEMBL5170080 Beta-secretase 1 Homo sapiens 171 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596247&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168268948 482607099 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479283 C[C@]1(CS(=O)(=O)[C@@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18F2N6O3S/c1-18(10-31(29,30)19(2,9-20)17(23)27-18)15-12(21)4-6-14(25-15)26-16(28)13-5-3-11(7-22)8-24-13/h3-6,8H,9-10H2,1-2H3,(H2,23,27)(H,25,26,28)/t18-,19-/m0/s1 GNWNOQLLBKOHTC-OALUTQOASA-N 50596248 CHEMBL5194897 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596248&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168285054 482607100 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479284 C[C@]1(CS(=O)(=O)[C@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H18F2N6O3S/c1-18(10-31(29,30)19(2,9-20)17(23)27-18)15-12(21)4-6-14(25-15)26-16(28)13-5-3-11(7-22)8-24-13/h3-6,8H,9-10H2,1-2H3,(H2,23,27)(H,25,26,28)/t18-,19+/m0/s1 GNWNOQLLBKOHTC-RBUKOAKNSA-N 50596249 CHEMBL5170892 Beta-secretase 1 Homo sapiens 7.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596249&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168270151 482607101 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479285 C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F3N6O3S/c1-18(9-32(30,31)19(2,16(21)22)17(24)28-18)14-11(20)4-6-13(26-14)27-15(29)12-5-3-10(7-23)8-25-12/h3-6,8,16H,9H2,1-2H3,(H2,24,28)(H,26,27,29)/t18-,19-/m0/s1 UTJCZTUJQZPFNJ-OALUTQOASA-N 50596250 CHEMBL5204704 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596250&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168294201 482607102 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479286 C[C@]1(CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H17F3N6O3S/c1-18(9-32(30,31)19(2,16(21)22)17(24)28-18)14-11(20)4-6-13(26-14)27-15(29)12-5-3-10(7-23)8-25-12/h3-6,8,16H,9H2,1-2H3,(H2,24,28)(H,26,27,29)/t18-,19+/m0/s1 UTJCZTUJQZPFNJ-RBUKOAKNSA-N 50596251 CHEMBL5197842 Beta-secretase 1 Homo sapiens 78 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596251&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168288231 482607103 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479287 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1)C#N InChI=1S/C20H20F2N6O3S/c1-11-6-12(7-23)8-25-15(11)17(29)27-14-5-4-13(22)16(26-14)19(2)10-32(30,31)20(3,9-21)18(24)28-19/h4-6,8H,9-10H2,1-3H3,(H2,24,28)(H,26,27,29)/t19-,20-/m0/s1 JAVXNEFHLKIHME-PMACEKPBSA-N 50596252 CHEMBL5190011 Beta-secretase 1 Homo sapiens 1.000000 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596252&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168283600 482607104 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479288 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1)C#N InChI=1S/C20H20F2N6O3S/c1-11-6-12(7-23)8-25-15(11)17(29)27-14-5-4-13(22)16(26-14)19(2)10-32(30,31)20(3,9-21)18(24)28-19/h4-6,8H,9-10H2,1-3H3,(H2,24,28)(H,26,27,29)/t19-,20+/m0/s1 JAVXNEFHLKIHME-VQTJNVASSA-N 50596253 CHEMBL5203401 Beta-secretase 1 Homo sapiens 2.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596253&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168293021 482607105 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479289 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)C#N InChI=1S/C20H19F3N6O3S/c1-10-6-11(7-24)8-26-14(10)16(30)28-13-5-4-12(21)15(27-13)19(2)9-33(31,32)20(3,17(22)23)18(25)29-19/h4-6,8,17H,9H2,1-3H3,(H2,25,29)(H,27,28,30)/t19-,20-/m0/s1 IWBMTMOXRFICLO-PMACEKPBSA-N 50596254 CHEMBL5198665 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596254&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168290037 482607106 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51479290 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)C#N InChI=1S/C20H19F3N6O3S/c1-10-6-11(7-24)8-26-14(10)16(30)28-13-5-4-12(21)15(27-13)19(2)9-33(31,32)20(3,17(22)23)18(25)29-19/h4-6,8,17H,9H2,1-3H3,(H2,25,29)(H,27,28,30)/t19-,20+/m0/s1 IWBMTMOXRFICLO-VQTJNVASSA-N 50596255 CHEMBL5195553 Beta-secretase 1 Homo sapiens 11 ChEMBL 10.7270/Q2988C2N 34838652 Taoka, BM; Wu, WL; Hao, J; Dolmaski, M; Wang, H; Levorse, D; Orth, P; Hyde, LA; Smith, B; Michener, MS; Kennedy, ME; Parker, EM; Cumming, JN Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50596255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50596255&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168287151 482607107 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51474180 CC1N(CCCC(=O)N(Cc2cnn(C)c2)C2CCCCC2)C(N)=Nc2ccc(Oc3ccccc3)cc12 InChI=1S/C30H38N6O2/c1-22-27-18-26(38-25-12-7-4-8-13-25)15-16-28(27)33-30(31)35(22)17-9-14-29(37)36(24-10-5-3-6-11-24)21-23-19-32-34(2)20-23/h4,7-8,12-13,15-16,18-20,22,24H,3,5-6,9-11,14,17,21H2,1-2H3,(H2,31,33) HRNZSFVTHWIMHE-UHFFFAOYSA-N 50594694 CHEMBL5170123 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.7270/Q2M90DP7 34742016 Haghighijoo, Z; Zamani, L; Moosavi, F; Emami, S University of Louisiana at Lafayette http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168269541 482605546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51474181 Cn1cc(CN(C2CCCCC2)C(=O)CCCN2C(CC3CCCCC3)c3cc(Oc4ccccc4)ccc3N=C2N)cn1 InChI=1S/C36H48N6O2/c1-40-25-28(24-38-40)26-42(29-14-7-3-8-15-29)35(43)18-11-21-41-34(22-27-12-5-2-6-13-27)32-23-31(19-20-33(32)39-36(41)37)44-30-16-9-4-10-17-30/h4,9-10,16-17,19-20,23-25,27,29,34H,2-3,5-8,11-15,18,21-22,26H2,1H3,(H2,37,39) ANGXZIGMAIVISG-UHFFFAOYSA-N 50594695 CHEMBL5209049 Beta-secretase 1 Homo sapiens 490 ChEMBL 10.7270/Q2M90DP7 34742016 Haghighijoo, Z; Zamani, L; Moosavi, F; Emami, S University of Louisiana at Lafayette http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168297754 482605547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51474194 Cn1c(N\N=C\c2cccc(Cl)c2Cl)nc2ccccc2c1=O InChI=1S/C16H12Cl2N4O/c1-22-15(23)11-6-2-3-8-13(11)20-16(22)21-19-9-10-5-4-7-12(17)14(10)18/h2-9H,1H3,(H,20,21)/b19-9+ XJBWMPUXHQBNHR-DJKKODMXSA-N 50594701 CHEMBL5206612 Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.7270/Q2M90DP7 34742016 Haghighijoo, Z; Zamani, L; Moosavi, F; Emami, S University of Louisiana at Lafayette http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168297400 482605553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51474195 Cn1c(N\N=C\c2ccc(O)cc2O)nc2ccccc2c1=O InChI=1S/C16H14N4O3/c1-20-15(23)12-4-2-3-5-13(12)18-16(20)19-17-9-10-6-7-11(21)8-14(10)22/h2-9,21-22H,1H3,(H,18,19)/b17-9+ ZZTPGOLWZWLKBI-RQZCQDPDSA-N 50594702 CHEMBL5189604 Beta-secretase 1 Homo sapiens 27600 ChEMBL 10.7270/Q2M90DP7 34742016 Haghighijoo, Z; Zamani, L; Moosavi, F; Emami, S University of Louisiana at Lafayette http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594702&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168282441 482605554 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51474204 CC1N(CCCC(=O)N(Cc2cnn(C)c2)C2CCCCC2)C(N)=Nc2ccc(Oc3ccccc3)cc12 InChI=1S/C30H38N6O2/c1-22-27-18-26(38-25-12-7-4-8-13-25)15-16-28(27)33-30(31)35(22)17-9-14-29(37)36(24-10-5-3-6-11-24)21-23-19-32-34(2)20-23/h4,7-8,12-13,15-16,18-20,22,24H,3,5-6,9-11,14,17,21H2,1-2H3,(H2,31,33) HRNZSFVTHWIMHE-UHFFFAOYSA-N 50594694 CHEMBL5170123 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.7270/Q2M90DP7 34742016 Haghighijoo, Z; Zamani, L; Moosavi, F; Emami, S University of Louisiana at Lafayette http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168269541 482605546 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51474205 Cn1cc(CN(C2CCCCC2)C(=O)CCCN2C(CC3CCCCC3)c3cc(Oc4ccccc4)ccc3N=C2N)cn1 InChI=1S/C36H48N6O2/c1-40-25-28(24-38-40)26-42(29-14-7-3-8-15-29)35(43)18-11-21-41-34(22-27-12-5-2-6-13-27)32-23-31(19-20-33(32)39-36(41)37)44-30-16-9-4-10-17-30/h4,9-10,16-17,19-20,23-25,27,29,34H,2-3,5-8,11-15,18,21-22,26H2,1H3,(H2,37,39) ANGXZIGMAIVISG-UHFFFAOYSA-N 50594695 CHEMBL5209049 Beta-secretase 1 Homo sapiens 140 ChEMBL 10.7270/Q2M90DP7 34742016 Haghighijoo, Z; Zamani, L; Moosavi, F; Emami, S University of Louisiana at Lafayette http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168297754 482605547 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51475735 C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O InChI=1S/C25H23ClF4N4O3/c1-13-11-32(12-31-13)19-3-4-20-24(36)33(7-8-34(20)23(19)35)14(2)21-5-6-22(37-21)15-9-18(27)17(26)10-16(15)25(28,29)30/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1 AKCDDYGYIGPEKL-JQOQJDEVSA-N 193081 US9193726, 69 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.7270/Q2HD80PD 35176561 Wen, J; Liu, D; Zhao, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=193081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=193081&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73441910 317230481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51475792 COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2cc(OC)cc(OC)c2)c1 InChI=1S/C29H24O7/c1-31-20-9-17(10-21(14-20)32-2)5-6-18-13-28(30)36-29-24(18)7-8-26-25(29)16-27(35-26)19-11-22(33-3)15-23(12-19)34-4/h5-16H,1-4H3/b6-5+ DXJLEIVEYFLNDY-AATRIKPKSA-N 50595000 CHEMBL5182136 Beta-secretase 1 Homo sapiens 15300 ChEMBL 10.7270/Q2445RHZ 35276424 Fantacuzzi, M; Amoroso, R; Carradori, S; De Filippis, B "G. d'Annunzio" University of Chieti-Pescara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50595000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50595000&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164517107 482605852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51475911 COc1cc2oc(cc(=O)c2cc1OC)C(=O)Nc1cccc(CN(C)Cc2ccccc2)c1 InChI=1S/C27H26N2O5/c1-29(16-18-8-5-4-6-9-18)17-19-10-7-11-20(12-19)28-27(31)26-14-22(30)21-13-24(32-2)25(33-3)15-23(21)34-26/h4-15H,16-17H2,1-3H3,(H,28,31) GLPOBZBQMRDBEA-UHFFFAOYSA-N 50595054 CHEMBL5202021 Beta-secretase 1 Homo sapiens 6700 ChEMBL 10.7270/Q2BP06SD 35398739 Kumar, N; Kumar, V; Anand, P; Kumar, V; Ranjan Dwivedi, A; Kumar, V Central University of Punjab http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50595054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50595054&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168291926 482605906 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51475930 Oc1cc(cc(O)c1O)C(=O)OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41?/m1/s1 JCGHAEBIBSEQAD-WZASNERQSA-N 50269544 CHEMBL510512::tellimagrandin II Beta-secretase 1 Homo sapiens 20230 ChEMBL 10.7270/Q2BP06SD 35398739 Kumar, N; Kumar, V; Anand, P; Kumar, V; Ranjan Dwivedi, A; Kumar, V Central University of Punjab http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 11766372 104115208 CHEMBL510512 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51475943 O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3CCCn3c(=O)c2c1 InChI=1S/C25H29N5O2/c31-24(10-12-28-13-15-29(16-14-28)18-19-5-2-1-3-6-19)26-20-8-9-22-21(17-20)25(32)30-11-4-7-23(30)27-22/h1-3,5-6,8-9,17H,4,7,10-16,18H2,(H,26,31) ZHIZWWLUDBQEIU-UHFFFAOYSA-N 50595062 CHEMBL5196827 Beta-secretase 1 Homo sapiens 129 ChEMBL 10.7270/Q2BP06SD 35398739 Kumar, N; Kumar, V; Anand, P; Kumar, V; Ranjan Dwivedi, A; Kumar, V Central University of Punjab http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50595062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50595062&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168288454 482605914 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51475944 Cc1cc2nc(-c3cnc(N)s3)c(nc2cc1C)-c1cnc(N)s1 InChI=1S/C16H14N6S2/c1-7-3-9-10(4-8(7)2)22-14(12-6-20-16(18)24-12)13(21-9)11-5-19-15(17)23-11/h3-6H,1-2H3,(H2,17,19)(H2,18,20) LFOFGEUSKPLUCX-UHFFFAOYSA-N 50595066 CHEMBL5188397 Beta-secretase 1 Homo sapiens 3000 ChEMBL 10.7270/Q2BP06SD 35398739 Kumar, N; Kumar, V; Anand, P; Kumar, V; Ranjan Dwivedi, A; Kumar, V Central University of Punjab http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50595066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50595066&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168279007 482605918 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50043768 CNCCN(Cc1ccc(OC)cc1)c1ccccn1 InChI=1S/C16H21N3O/c1-17-11-12-19(16-5-3-4-10-18-16)13-14-6-8-15(20-2)9-7-14/h3-10,17H,11-13H2,1-2H3 LWKSMQXIHQRJJJ-UHFFFAOYSA-N 50404156 CHEMBL5272243 Beta-secretase 1 Homo sapiens 15740 ChEMBL 10.7270/Q2S46X5T 35434628 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153224 163353180 CHEMBL624 ZINC02584239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50045413 COc1ccc(CN(CCN(C)CCN)c2ccccn2)cc1 InChI=1S/C18H26N4O/c1-21(12-10-19)13-14-22(18-5-3-4-11-20-18)15-16-6-8-17(23-2)9-7-16/h3-9,11H,10,12-15,19H2,1-2H3 LAGKZORWQABGEE-UHFFFAOYSA-N 50404155 CHEMBL5270046 Beta-secretase 1 Homo sapiens 14000 ChEMBL 10.7270/Q2S46X5T 35434628 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 19762590 163353179 CHEMBL416378 ZINC22927354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50045420 CNCCN(Cc1ccc(OC)cc1)c1ccccn1 InChI=1S/C16H21N3O/c1-17-11-12-19(16-5-3-4-10-18-16)13-14-6-8-15(20-2)9-7-14/h3-10,17H,11-13H2,1-2H3 LWKSMQXIHQRJJJ-UHFFFAOYSA-N 50404156 CHEMBL5272243 Beta-secretase 1 Homo sapiens 16000 ChEMBL 10.7270/Q2S46X5T 35434628 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153224 163353180 CHEMBL624 ZINC02584239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496379 C[C@]1(CCC2(CC2)C(N)=N1)c1cc(ccc1F)-c1ccc(Cl)cn1 InChI=1S/C19H19ClFN3/c1-18(6-7-19(8-9-19)17(22)24-18)14-10-12(2-4-15(14)21)16-5-3-13(20)11-23-16/h2-5,10-11H,6-9H2,1H3,(H2,22,24)/t18-/m0/s1 OFJKNMUHPYXMPH-SFHVURJKSA-N 50602766 CHEMBL5186842 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602766&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168280287 482613617 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496380 C[C@]1(C[C@@H]2C[C@@H]2C(N)=N1)c1cc(ccc1F)-c1ccc(Cl)cn1 InChI=1S/C18H17ClFN3/c1-18(8-11-6-13(11)17(21)23-18)14-7-10(2-4-15(14)20)16-5-3-12(19)9-22-16/h2-5,7,9,11,13H,6,8H2,1H3,(H2,21,23)/t11-,13-,18-/m0/s1 VYPMCVCKXYZPIV-FNFWKMNBSA-N 50602767 CHEMBL5187186 Beta-secretase 1 Homo sapiens 96 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602767&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168280314 482613618 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496381 CC1CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 InChI=1S/C19H17F4N3O2/c1-10-4-5-18(9-20,26-17(10)24)12-6-11(2-3-13(12)21)14-7-15-16(8-25-14)28-19(22,23)27-15/h2-3,6-8,10H,4-5,9H2,1H3,(H2,24,26)/t10?,18-/m1/s1 PYPTULRVNAIRKK-RXUIWSPKSA-N 50602768 CHEMBL5171414 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602768&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168269192 482613619 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496382 COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@@](C)(C#N)C(N)=N1 InChI=1S/C19H20FN5O/c1-18(11-21)6-7-19(2,25-17(18)22)13-8-12(4-5-14(13)20)15-9-24-16(26-3)10-23-15/h4-5,8-10H,6-7H2,1-3H3,(H2,22,25)/t18-,19-/m0/s1 DRTDQHRBEPSWIG-OALUTQOASA-N 50602769 CHEMBL5170536 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602769&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168270127 482613620 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496383 COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(CF)CC[C@@](C)(C#N)C(N)=N1 InChI=1S/C19H19F2N5O/c1-18(11-22)5-6-19(10-20,26-17(18)23)13-7-12(3-4-14(13)21)15-8-25-16(27-2)9-24-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,23,26)/t18-,19+/m0/s1 VQSSAERXLSTURK-RBUKOAKNSA-N 50602770 CHEMBL5173292 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602770&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168275668 482613621 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496384 COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(CF)CC[C@](C)(C#N)C(N)=N1 InChI=1S/C19H19F2N5O/c1-18(11-22)5-6-19(10-20,26-17(18)23)13-7-12(3-4-14(13)21)15-8-25-16(27-2)9-24-15/h3-4,7-9H,5-6,10H2,1-2H3,(H2,23,26)/t18-,19-/m1/s1 VQSSAERXLSTURK-RTBURBONSA-N 50602771 CHEMBL5184716 Beta-secretase 1 Homo sapiens 851 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602771&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168284207 482613622 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496385 COc1cnc(cn1)-c1ccc(F)c(c1)[C@@]1(CC[C@@](C)(C#N)C(N)=N1)C(F)F InChI=1S/C19H18F3N5O/c1-18(10-23)5-6-19(16(21)22,27-17(18)24)12-7-11(3-4-13(12)20)14-8-26-15(28-2)9-25-14/h3-4,7-9,16H,5-6H2,1-2H3,(H2,24,27)/t18-,19-/m0/s1 DHEPVCCSFBQOHU-OALUTQOASA-N 50602772 CHEMBL5186773 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602772&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168283099 482613623 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496386 CN(C)C(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 InChI=1S/C21H23F3N4O/c1-20(19(29)28(2)3)8-9-21(12-22,27-18(20)25)15-10-13(4-6-16(15)24)17-7-5-14(23)11-26-17/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,27)/t20-,21-/m1/s1 BTEDEEMQWBFCGI-NHCUHLMSSA-N 50602773 CHEMBL5176213 Beta-secretase 1 Homo sapiens 66 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602773&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168273624 482613624 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496387 CN(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 InChI=1S/C20H23F3N4O2S/c1-19(30(28,29)27(2)3)8-9-20(12-21,26-18(19)24)15-10-13(4-6-16(15)23)17-7-5-14(22)11-25-17/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,26)/t19-,20-/m1/s1 DWWOHBLDOWLPGV-WOJBJXKFSA-N 50602774 CHEMBL5180053 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602774&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168275111 482613625 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496388 COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@](C)(C(N)=N1)S(C)(=O)=O InChI=1S/C19H23FN4O3S/c1-18(7-8-19(2,17(21)24-18)28(4,25)26)13-9-12(5-6-14(13)20)15-10-23-16(27-3)11-22-15/h5-6,9-11H,7-8H2,1-4H3,(H2,21,24)/t18-,19+/m0/s1 IKJOCGWQQJYDSM-RBUKOAKNSA-N 50602775 CHEMBL5186218 Beta-secretase 1 Homo sapiens 4.0 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602775&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168281811 482613626 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496389 C[C@]1(CC[C@](CF)(N=C1N)c1nc(ccc1F)-c1cnc(OCF)cn1)S(C)(=O)=O InChI=1S/C18H20F3N5O3S/c1-17(30(2,27)28)5-6-18(9-19,26-16(17)22)15-11(21)3-4-12(25-15)13-7-24-14(8-23-13)29-10-20/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,22,26)/t17-,18-/m1/s1 FGYDSMNLCZHWED-QZTJIDSGSA-N 50602776 CHEMBL5178174 Beta-secretase 1 Homo sapiens 38 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602776&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168273212 482613627 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496390 C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O InChI=1S/C20H22F3N5O4S/c1-19(33(2,30)31)5-6-20(10-21,28-18(19)24)13-7-12(3-4-14(13)23)27-17(29)15-8-26-16(9-25-15)32-11-22/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t19-,20-/m1/s1 JBARGSXIUKTHNW-WOJBJXKFSA-N 50579808 CHEMBL5081571 Beta-secretase 1 Homo sapiens 2.3 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579808&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733921 476024813 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496391 C[C@]1(CC[C@](C)(C(N)=N1)S(=O)(=O)C(F)(F)F)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 InChI=1S/C20H17F6N3O4S/c1-17(5-6-18(2,16(27)29-17)34(30,31)19(22,23)24)11-7-10(3-4-12(11)21)13-8-14-15(9-28-13)33-20(25,26)32-14/h3-4,7-9H,5-6H2,1-2H3,(H2,27,29)/t17-,18+/m0/s1 BURDKPAOMXRSRM-ZWKOTPCHSA-N 50602777 CHEMBL5184228 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602777&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168278825 482613628 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496392 C[C@]1(CC[C@](CF)(C(N)=N1)S(C)(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F InChI=1S/C20H21F3N4O3S/c1-19(7-8-20(11-21,18(24)27-19)31(2,29)30)14-9-13(4-5-15(14)23)26-17(28)16-6-3-12(22)10-25-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,24,27)(H,26,28)/t19-,20-/m0/s1 WHKSXKNZPILRPT-PMACEKPBSA-N 50602778 CHEMBL5186838 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602778&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733763 482613629 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496393 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(C[C@@H]1F)S(C)(=O)=O InChI=1S/C20H23F2N5O4S/c1-19(32(4,29)30)8-15(22)20(2,27-18(19)23)12-7-11(5-6-13(12)21)26-17(28)14-9-25-16(31-3)10-24-14/h5-7,9-10,15H,8H2,1-4H3,(H2,23,27)(H,26,28)/t15-,19+,20+/m0/s1 LBDXTUOLTFFSGJ-CWFSZBLJSA-N 50602779 CHEMBL5175673 Beta-secretase 1 Homo sapiens 31 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602779&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 126733685 482613630 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496394 C[C@]1(CC[C@](C)(C(N)=N1)S(C)(=O)=O)c1nc(cs1)-c1ccc(F)cn1 InChI=1S/C16H19FN4O2S2/c1-15(6-7-16(2,13(18)21-15)25(3,22)23)14-20-12(9-24-14)11-5-4-10(17)8-19-11/h4-5,8-9H,6-7H2,1-3H3,(H2,18,21)/t15-,16+/m0/s1 LZVIVSINWJIMMG-JKSUJKDBSA-N 50602780 CHEMBL5193623 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602780&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168286189 482613631 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496395 C[C@]1(CCC(F)(F)C(N)=N1)c1cc(ccc1F)-c1cnc(OCF)cn1 InChI=1S/C17H16F4N4O/c1-16(4-5-17(20,21)15(22)25-16)11-6-10(2-3-12(11)19)13-7-24-14(8-23-13)26-9-18/h2-3,6-8H,4-5,9H2,1H3,(H2,22,25)/t16-/m0/s1 OWQHBVSXSFUITK-INIZCTEOSA-N 50602781 CHEMBL5195193 Beta-secretase 1 Homo sapiens 12 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602781&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168287605 482613632 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51496396 NC1=N[C@@](CF)(CCC1(F)F)c1cc(ccc1F)-c1cnc(OCF)cn1 InChI=1S/C17H15F5N4O/c18-8-16(3-4-17(21,22)15(23)26-16)11-5-10(1-2-12(11)20)13-6-25-14(7-24-13)27-9-19/h1-2,5-7H,3-4,8-9H2,(H2,23,26)/t16-/m1/s1 FBVKBSWTWYVPIX-MRXNPFEDSA-N 50602782 CHEMBL5192629 Beta-secretase 1 Homo sapiens 8.9 ChEMBL 10.7270/Q2N87FWZ 34920170 Rombouts, FJR; Hsiao, CC; Bache, S; De Cleyn, M; Heckmann, P; Leenaerts, J; Martinéz-Lamenca, C; Van Brandt, S; Peschiulli, A; Vos, A; Gijsen, HJM Janssen Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50602782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50602782&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168288745 482613633 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51506320 CC(C)(C)OC(=O)Nc1ccc(O)c(c1)C(=O)NCCCN1CCCCC1 InChI=1S/C20H31N3O4/c1-20(2,3)27-19(26)22-15-8-9-17(24)16(14-15)18(25)21-10-7-13-23-11-5-4-6-12-23/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,21,25)(H,22,26) GHHKENIJHZCYGC-UHFFFAOYSA-N 50606839 CHEMBL5220695 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.7270/Q2FJ2MW1 35858523 Zhang, H; Wang, Y; Wang, Y; Li, X; Wang, S; Wang, Z Lanzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50606839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50606839&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168298747 482617690 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51506321 CC1CCCCN1CCCNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1O InChI=1S/C21H33N3O4/c1-15-8-5-6-12-24(15)13-7-11-22-19(26)17-14-16(9-10-18(17)25)23-20(27)28-21(2,3)4/h9-10,14-15,25H,5-8,11-13H2,1-4H3,(H,22,26)(H,23,27) KFUQBJXTPOYKIN-UHFFFAOYSA-N 50606840 CHEMBL5219239 Beta-secretase 1 Homo sapiens 15 ChEMBL 10.7270/Q2FJ2MW1 35858523 Zhang, H; Wang, Y; Wang, Y; Li, X; Wang, S; Wang, Z Lanzhou University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50606840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50606840&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168299263 482617691 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498106 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1 WFMVRFNXMBGKEW-HVGQEOIXSA-N 50400221 CHEMBL2181015 Beta-secretase 1 Homo sapiens 189 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400221&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 70680446 163349245 CHEMBL2181015 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498107 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/m0/s1 NXDIWJUYMKBICN-QDBLDGTHSA-N 50400214 CHEMBL2181022 Beta-secretase 1 Homo sapiens 54 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400214&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 71453880 163349238 CHEMBL2181022 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498108 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C54H74N8O12/c1-33(2)28-40(48(66)56-35(5)50(68)61(7)43(30-37-20-13-9-14-21-37)51(69)62-27-17-24-42(62)53(71)72)57-46(65)31-44(63)39(29-36-18-11-8-12-19-36)58-49(67)41(25-26-45(55)64)60(6)52(70)47(34(3)4)59-54(73)74-32-38-22-15-10-16-23-38/h8-16,18-23,33-35,39-44,47,63H,17,24-32H2,1-7H3,(H2,55,64)(H,56,66)(H,57,65)(H,58,67)(H,59,73)(H,71,72)/t35-,39-,40-,41-,42-,43+,44-,47-/m0/s1 MJVWIZCJQXORSJ-DHLYAETASA-N 50603521 CHEMBL5179569 Beta-secretase 1 Homo sapiens 179 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603521&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168272283 482614372 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498109 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C59H84N8O13/c1-36(2)31-44(52(71)61-38(5)54(73)66(10)47(55(74)67-30-18-23-46(67)57(76)78-11)33-40-24-26-42(27-25-40)80-59(6,7)8)62-50(70)34-48(68)43(32-39-19-14-12-15-20-39)63-53(72)45(28-29-49(60)69)65(9)56(75)51(37(3)4)64-58(77)79-35-41-21-16-13-17-22-41/h12-17,19-22,24-27,36-38,43-48,51,68H,18,23,28-35H2,1-11H3,(H2,60,69)(H,61,71)(H,62,70)(H,63,72)(H,64,77)/t38-,43-,44-,45-,46-,47+,48-,51-/m0/s1 CZXLJTCMHQXVJW-UTMJBIBJSA-N 50603522 CHEMBL5184970 Beta-secretase 1 Homo sapiens 1348 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603522&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168283411 482614373 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498110 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C58H82N8O13/c1-35(2)30-43(51(70)60-37(5)53(72)65(10)46(54(73)66-29-17-22-45(66)56(75)76)32-39-23-25-41(26-24-39)79-58(6,7)8)61-49(69)33-47(67)42(31-38-18-13-11-14-19-38)62-52(71)44(27-28-48(59)68)64(9)55(74)50(36(3)4)63-57(77)78-34-40-20-15-12-16-21-40/h11-16,18-21,23-26,35-37,42-47,50,67H,17,22,27-34H2,1-10H3,(H2,59,68)(H,60,70)(H,61,69)(H,62,71)(H,63,77)(H,75,76)/t37-,42-,43-,44-,45-,46+,47-,50-/m0/s1 DASHUKGLLYFZSN-TXINUMBWSA-N 50603523 CHEMBL5188873 Beta-secretase 1 Homo sapiens 341 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603523&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168281940 482614374 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498111 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C InChI=1S/C55H76N8O13/c1-33(2)28-41(49(68)57-35(5)51(70)62(7)44(30-37-21-23-39(64)24-22-37)52(71)63-27-15-20-43(63)54(73)75-8)58-47(67)31-45(65)40(29-36-16-11-9-12-17-36)59-50(69)42(25-26-46(56)66)61(6)53(72)48(34(3)4)60-55(74)76-32-38-18-13-10-14-19-38/h9-14,16-19,21-24,33-35,40-45,48,64-65H,15,20,25-32H2,1-8H3,(H2,56,66)(H,57,68)(H,58,67)(H,59,69)(H,60,74)/t35-,40-,41-,42-,43-,44+,45-,48-/m0/s1 AKZOFLGCSPMBPS-YAQNKXQCSA-N 50603524 CHEMBL5192597 Beta-secretase 1 Homo sapiens 775 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603524&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168287357 482614375 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498112 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@@]22Oc3ccc(cc3C=C2)[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]22CCc3cc(ccc3O2)[N+]([O-])=O)nn1 InChI=1S/C151H215N33O34/c1-93(2)82-114(163-130(193)87-122(187)113(83-96-36-15-12-16-37-96)173-143(205)119(56-61-127(158)190)177(10)146(208)131(94(3)4)174-147(209)216-92-98-40-19-14-20-41-98)139(201)162-95(5)144(206)178(11)121(84-97-38-17-13-18-39-97)145(207)180-74-35-51-120(180)142(204)160-73-78-214-80-81-215-79-77-179-89-101(175-176-179)88-161-133(195)107(167-135(197)108(45-26-31-69-153)168-136(198)110(47-28-33-71-155)170-138(200)112(55-60-126(157)189)172-141(203)116(91-186)165-129(192)65-76-182-118-50-24-22-43-105(118)149(8,9)151(182)67-63-100-86-103(184(212)213)53-58-124(100)218-151)48-29-34-72-159-132(194)106(44-25-30-68-152)166-134(196)109(46-27-32-70-154)169-137(199)111(54-59-125(156)188)171-140(202)115(90-185)164-128(191)64-75-181-117-49-23-21-42-104(117)148(6,7)150(181)66-62-99-85-102(183(210)211)52-57-123(99)217-150/h12-24,36-43,49-50,52-53,57-58,62,66,85-86,89,93-95,106-116,119-122,131,185-187H,25-35,44-48,51,54-56,59-61,63-65,67-84,87-88,90-92,152-155H2,1-11H3,(H2,156,188)(H2,157,189)(H2,158,190)(H,159,194)(H,160,204)(H,161,195)(H,162,201)(H,163,193)(H,164,191)(H,165,192)(H,166,196)(H,167,197)(H,168,198)(H,169,199)(H,170,200)(H,171,202)(H,172,203)(H,173,205)(H,174,209)/t95-,106-,107-,108-,109-,110-,111-,112?,113-,114-,115-,116-,119-,120-,121+,122-,131-,150+,151+/m0/s1 QGUDJRLYHSLQDK-JNJOEZQJSA-N 50603525 CHEMBL5184180 Beta-secretase 1 Homo sapiens 1031 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603525&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168283757 482614376 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51498113 CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@@]22Oc3ccc(cc3C=C2)[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]22CCc3cc(ccc3O2)[N+]([O-])=O)nn1 InChI=1S/C151H215N33O35/c1-92(2)81-114(163-130(194)86-122(188)113(82-95-33-14-12-15-34-95)173-143(206)119(55-60-127(158)191)177(10)146(209)131(93(3)4)174-147(210)217-91-97-35-16-13-17-36-97)139(202)162-94(5)144(207)178(11)121(83-96-47-51-103(187)52-48-96)145(208)180-73-32-46-120(180)142(205)160-72-77-215-79-80-216-78-76-179-88-100(175-176-179)87-161-133(196)107(167-135(198)108(40-23-28-68-153)168-136(199)110(42-25-30-70-155)170-138(201)112(54-59-126(157)190)172-141(204)116(90-186)165-129(193)64-75-182-118-45-21-19-38-105(118)149(8,9)151(182)66-62-99-85-102(184(213)214)50-57-124(99)219-151)43-26-31-71-159-132(195)106(39-22-27-67-152)166-134(197)109(41-24-29-69-154)169-137(200)111(53-58-125(156)189)171-140(203)115(89-185)164-128(192)63-74-181-117-44-20-18-37-104(117)148(6,7)150(181)65-61-98-84-101(183(211)212)49-56-123(98)218-150/h12-21,33-38,44-45,47-52,56-57,61,65,84-85,88,92-94,106-116,119-122,131,185-188H,22-32,39-43,46,53-55,58-60,62-64,66-83,86-87,89-91,152-155H2,1-11H3,(H2,156,189)(H2,157,190)(H2,158,191)(H,159,195)(H,160,205)(H,161,196)(H,162,202)(H,163,194)(H,164,192)(H,165,193)(H,166,197)(H,167,198)(H,168,199)(H,169,200)(H,170,201)(H,171,203)(H,172,204)(H,173,206)(H,174,210)/t94-,106-,107-,108-,109-,110-,111-,112?,113-,114-,115-,116-,119-,120-,121+,122-,131-,150+,151+/m0/s1 SQKBSPJLGLPLAW-LPHOTGGXSA-N 50603526 CHEMBL5184529 Beta-secretase 1 Homo sapiens 828 ChEMBL 10.7270/Q2M330VK 35121401 Li, Z; Li, H; Jiang, F; Wang, Z; Zhang, W Fudan University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603526&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168284189 482614377 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51510194 CC#Cc1cncc(c1)-c1ccc2OC[C@@]3(N=C(N)C[C@H]3C(F)(F)F)c2c1 InChI=1S/C20H16F3N3O/c1-2-3-12-6-14(10-25-9-12)13-4-5-16-15(7-13)19(11-27-16)17(20(21,22)23)8-18(24)26-19/h4-7,9-10,17H,8,11H2,1H3,(H2,24,26)/t17-,19-/m1/s1 QXBFTWSGJHVMLE-IEBWSBKVSA-N 50607978 CHEMBL5276750 Beta-secretase 1 Homo sapiens 115 ChEMBL 10.7270/Q2DZ0DHP 34153839 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607978&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171354387 494497726 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51513101 OC[C@@H]1Cc2c(CN1Cc1cn(C[C@@H]3Cc4c(CN3)[nH]c3ccccc43)nn1)[nH]c1ccccc21 InChI=1S/C27H29N7O/c35-16-19-10-23-21-6-2-4-8-25(21)30-27(23)15-33(19)12-18-14-34(32-31-18)13-17-9-22-20-5-1-3-7-24(20)29-26(22)11-28-17/h1-8,14,17,19,28-30,35H,9-13,15-16H2/t17-,19-/m0/s1 VMHAGOQRZSEUCK-HKUYNNGSSA-N 50209786 CHEMBL3883958 Beta-secretase 1 Homo sapiens 17000 ChEMBL 10.7270/Q2GF0ZQF 33528252 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209786&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 132547257 375982468 CHEMBL3883958 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51513102 Oc1ccc(\C=C\C(=O)NCc2cn(C[C@@H]3Cc4c(CN3)[nH]c3ccccc43)nn2)cc1O InChI=1S/C24H24N6O3/c31-22-7-5-15(9-23(22)32)6-8-24(33)26-11-17-14-30(29-28-17)13-16-10-19-18-3-1-2-4-20(18)27-21(19)12-25-16/h1-9,14,16,25,27,31-32H,10-13H2,(H,26,33)/b8-6+/t16-/m0/s1 COAMHZJQGVWEHK-BVBGJJFLSA-N 50209785 CHEMBL3884327 Beta-secretase 1 Homo sapiens >50000 ChEMBL 10.7270/Q2GF0ZQF 33528252 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209785&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134130755 375982467 CHEMBL3884327 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509880 Nc1nc(Cc2ccc3cc[nH]c3c2)cc(=O)[nH]1 InChI=1S/C13H12N4O/c14-13-16-10(7-12(18)17-13)5-8-1-2-9-3-4-15-11(9)6-8/h1-4,6-7,15H,5H2,(H3,14,16,17,18) JYOWUVRHSQYNOA-UHFFFAOYSA-N 50607894 CHEMBL5279912 Beta-secretase 1 Homo sapiens 130000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607894&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171353405 494497642 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509881 Cn1c(N)nc(Cc2ccccc2)cc1=O InChI=1S/C12H13N3O/c1-15-11(16)8-10(14-12(15)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14) RBOKQDOBLPJLAR-UHFFFAOYSA-N 50607895 CHEMBL5286896 Beta-secretase 1 Homo sapiens 220000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607895&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 68932178 494497643 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509882 Cn1c(N)nc(Cc2ccc3ccccc3c2)cc1=O InChI=1S/C16H15N3O/c1-19-15(20)10-14(18-16(19)17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10H,9H2,1H3,(H2,17,18) TWJAUKNIXRWYHM-UHFFFAOYSA-N 50607896 CHEMBL5279449 Beta-secretase 1 Homo sapiens 36000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607896&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171358350 494497644 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509883 Cn1c(N)nc(Cc2ccc3cc[nH]c3c2)cc1=O InChI=1S/C14H14N4O/c1-18-13(19)8-11(17-14(18)15)6-9-2-3-10-4-5-16-12(10)7-9/h2-5,7-8,16H,6H2,1H3,(H2,15,17) JGPUXDRTPIFVPK-UHFFFAOYSA-N 50607897 CHEMBL5290864 Beta-secretase 1 Homo sapiens 77000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607897&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171358387 494497645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509884 COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1 LQOCXPOKEPYGTJ-IBGZPJMESA-N 50392843 CHEMBL1233206 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392843&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 17749735 163341867 CHEMBL1233206 ZINC11536246 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509885 CN1C(=O)C[C@@](C)(Cc2ccccc2)N=C1N InChI=1S/C13H17N3O/c1-13(8-10-6-4-3-5-7-10)9-11(17)16(2)12(14)15-13/h3-7H,8-9H2,1-2H3,(H2,14,15)/t13-/m1/s1 FISUVUXCPVDERJ-CYBMUJFWSA-N 50607898 CHEMBL5278850 Beta-secretase 1 Homo sapiens 34000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607898&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171356952 494497646 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509886 CN1C(=O)C[C@@](C)(CCc2cccc(c2)-c2ccccc2)N=C1N InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)/t20-/m1/s1 CWIATWAMZSVNNY-HXUWFJFHSA-N 50607899 CHEMBL3040557 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607899&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 73355602 494497647 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509887 COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1 VDFBMQAUECXNKR-OAQYLSRUSA-N 50226448 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::(R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239857 Beta-secretase 1 Homo sapiens 80 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50226448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50226448&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search C27 2VA7 16040323 104097104 CHEMBL239857 DB07519 ZINC11536247 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509888 COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccccc1[N+]([O-])=O InChI=1S/C19H18N6O3/c1-28-18-16(21-12-11-13-7-5-6-10-15(13)25(26)27)17(23-19(20)24-18)22-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H3,20,22,23,24)/b21-12+ NHTIBVCQAJAWAI-CIAFOILYSA-N 50607900 CHEMBL5286699 Beta-secretase 1 Homo sapiens 50000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607900&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171348699 494497648 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509889 COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1c(Cl)cccc1Cl InChI=1S/C19H17Cl2N5O/c1-27-18-16(23-11-10-13-14(20)8-5-9-15(13)21)17(25-19(22)26-18)24-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H3,22,24,25,26)/b23-11+ WMYQBPJLVQRDRP-FOKLQQMPSA-N 50607901 CHEMBL5271939 Beta-secretase 1 Homo sapiens 12000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607901&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171342719 494497649 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509890 COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccccc1Cl InChI=1S/C19H18ClN5O/c1-26-18-16(22-12-11-13-7-5-6-10-15(13)20)17(24-19(21)25-18)23-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H3,21,23,24,25)/b22-12+ ITLHPCAVJZIHTF-WSDLNYQXSA-N 50607902 CHEMBL5270454 Beta-secretase 1 Homo sapiens 75000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607902&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171342307 494497650 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509891 COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccc(C)cc1 InChI=1S/C20H21N5O/c1-14-8-10-15(11-9-14)12-13-22-17-18(23-16-6-4-3-5-7-16)24-20(21)25-19(17)26-2/h3-11,13H,12H2,1-2H3,(H3,21,23,24,25)/b22-13+ UARFFOACLFUWNL-LPYMAVHISA-N 50607903 CHEMBL5289974 Beta-secretase 1 Homo sapiens 44000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607903&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171358224 494497651 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509892 COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccc(cc1)C(F)(F)F InChI=1S/C20H18F3N5O/c1-29-18-16(17(27-19(24)28-18)26-15-5-3-2-4-6-15)25-12-11-13-7-9-14(10-8-13)20(21,22)23/h2-10,12H,11H2,1H3,(H3,24,26,27,28)/b25-12+ NOMDCXSGYIRJLU-BRJLIKDPSA-N 50607904 CHEMBL5278976 Beta-secretase 1 Homo sapiens 38000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607904&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171356967 494497652 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509893 COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccccc1 InChI=1S/C19H19N5O/c1-25-18-16(21-13-12-14-8-4-2-5-9-14)17(23-19(20)24-18)22-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H3,20,22,23,24)/b21-13+ OMAYMEQRZUWECE-FYJGNVAPSA-N 50607905 CHEMBL5284749 Beta-secretase 1 Homo sapiens 20000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607905&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171346877 494497653 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509894 Nc1nc2n(c(Cc3ccccc3[N+]([O-])=O)nc2c(=O)[nH]1)-c1ccccc1 InChI=1S/C18H14N6O3/c19-18-21-16-15(17(25)22-18)20-14(23(16)12-7-2-1-3-8-12)10-11-6-4-5-9-13(11)24(26)27/h1-9H,10H2,(H3,19,21,22,25) OUKBMXNPESORAD-UHFFFAOYSA-N 50607906 CHEMBL5272851 Beta-secretase 1 Homo sapiens 230000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607906&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171344869 494497654 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51509895 Nc1nc2n(c(Cc3ccc(Br)cc3)nc2c(=O)[nH]1)-c1ccccc1 InChI=1S/C18H14BrN5O/c19-12-8-6-11(7-9-12)10-14-21-15-16(22-18(20)23-17(15)25)24(14)13-4-2-1-3-5-13/h1-9H,10H2,(H3,20,22,23,25) SQEQLKKOFXNNSC-UHFFFAOYSA-N 50607907 CHEMBL5289894 Beta-secretase 1 Homo sapiens 210000 ChEMBL 10.7270/Q2C53R3B 32949964 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607907&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171358612 494497655 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51525585 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N 15236 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one::3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one::CHEMBL164::Cannabiscetin::Myricetin::Myricetin (20)::Myricetin (Myr)::cid_5281672 Beta-secretase 1 Homo sapiens 2800 ChEMBL 10.7270/Q2FX7FRV 29763806 Jalili-Baleh, L; Babaei, E; Abdpour, S; Nasir Abbas Bukhari, S; Foroumadi, A; Ramazani, A; Sharifzadeh, M; Abdollahi, M; Khoobi, M Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15236&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search MYC 3HBF,7DPP,2IOD,5YUN,6M88,5HXC,7B3E,1E90,4GQR,7ELW,5XI1,6TTC,3C1T,2O63,7E49 5281672 46515543 18152 CHEMBL164 DB02375 C10107 ZINC03874317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51525586 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 WMBWREPUVVBILR-WIYYLYMNSA-N 50070942 (-)-Epigallocatechin gallate::(-)-Epigallocatechin-3-o-gallate::(-)-epigallocatechin 3-gallate::(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::CHEMBL297453::EGCG::Epigallocatechin 3-gallate::Epigallocatechin monogallate, B::cid_65064 Beta-secretase 1 Homo sapiens 1600 ChEMBL 10.7270/Q2FX7FRV 29763806 Jalili-Baleh, L; Babaei, E; Abdpour, S; Nasir Abbas Bukhari, S; Foroumadi, A; Ramazani, A; Sharifzadeh, M; Abdollahi, M; Khoobi, M Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50070942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50070942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search EGG 65064 103964753 4806 CHEMBL297453 7002 C09731 ZINC03870412 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51525587 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N 23417 α-CA inhibitor, 4::(-)-Epicatechin::(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol::Epicatechin::L-Epicatechin::cid_72276 Beta-secretase 1 Homo sapiens 4500 ChEMBL 10.7270/Q2FX7FRV 29763806 Jalili-Baleh, L; Babaei, E; Abdpour, S; Nasir Abbas Bukhari, S; Foroumadi, A; Ramazani, A; Sharifzadeh, M; Abdollahi, M; Khoobi, M Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23417&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 28E 6AWV,6AWT,6AX0,4MA6 72276 50091681 90 C09727 ZINC00119988 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51525588 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 LSHVYAFMTMFKBA-FPOVZHCZSA-N 50135164 3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL126142 Beta-secretase 1 Homo sapiens 2400 ChEMBL 10.7270/Q2FX7FRV 29763806 Jalili-Baleh, L; Babaei, E; Abdpour, S; Nasir Abbas Bukhari, S; Foroumadi, A; Ramazani, A; Sharifzadeh, M; Abdollahi, M; Khoobi, M Tehran University of Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135164&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 65056 104025591 CHEMBL126142 ZINC04544252 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51525589 CCC(=O)CNC(=O)Nc1nc2ccc(cc2s1)-c1oc2c(OC)c(O)c(O)c(OC)c2c(=O)c1O InChI=1S/C23H21N3O9S/c1-4-10(27)8-24-22(32)26-23-25-11-6-5-9(7-12(11)36-23)18-15(29)14(28)13-19(33-2)16(30)17(31)21(34-3)20(13)35-18/h5-7,29-31H,4,8H2,1-3H3,(H2,24,25,26,32) MRGBLPQQHOOJIK-UHFFFAOYSA-N 50613754 CHEMBL5282182 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.7270/Q2FX7FRV 29763806 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50613754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50613754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171352456 494503502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517022 CCCCCCCCCCCC1=CC(=O)C=CC1=O InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-14-16(18)12-13-17(15)19/h12-14H,2-11H2,1H3 CJKAOSXSHTYWOT-UHFFFAOYSA-N 50610531 CHEMBL5270796 Beta-secretase 1 Homo sapiens 2110 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610531&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 85829246 494500279 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517023 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 8960 (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one::2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one::Aricept::Aricept odt::CHEMBL1678::CHEMBL2337271::CHEMBL502::DONEPEZIL HYDROCHLORIDE::Donepezil::Donepzil::E2020::US8999994, Donepezil::US9346818, DPH::US9586925, Donepezil::US9663465, Donepezil Beta-secretase 1 Homo sapiens 18 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8960&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search E20 1EVE,4EY7,7E3H,6O4W 3152 46509735 53289 CHEMBL502CHEMBL1678CHEMBL2337271 DB00843 6599 ZINC00897251 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517084 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Beta-secretase 1 Homo sapiens 550 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,8GQT,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517085 COc1cc(O)cc(-c2cc3ccc(O)c(C\C=C(/C)CCC=C(C)C)c3o2)c1CC=C(C)C InChI=1S/C30H36O4/c1-19(2)8-7-9-21(5)11-14-25-27(32)15-12-22-16-29(34-30(22)25)26-17-23(31)18-28(33-6)24(26)13-10-20(3)4/h8,10-12,15-18,31-32H,7,9,13-14H2,1-6H3/b21-11+ ALGFXATVXBZEBW-SRZZPIQSSA-N 50610532 CHEMBL5280671 Beta-secretase 1 Homo sapiens 5640 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610532&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 101103428 494500280 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517086 CC(C)=CCC\C(C)=C\Cc1c(O)ccc2cc(oc12)-c1cc(O)cc(O)c1CC=C(C)C InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+ WCJPAQJEARHLGS-KEBDBYFISA-N 50303006 CHEMBL517247::mulberrofuran D Beta-secretase 1 Homo sapiens 3740 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303006&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5467256 104157367 CHEMBL517247 ZINC01631746 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517087 CC(C)=CCCC1(C)Oc2ccc3cc(oc3c2C=C1)-c1cc(O)cc(O)c1CC=C(C)C InChI=1S/C29H32O4/c1-18(2)7-6-13-29(5)14-12-23-26(33-29)11-9-20-15-27(32-28(20)23)24-16-21(30)17-25(31)22(24)10-8-19(3)4/h7-9,11-12,14-17,30-31H,6,10,13H2,1-5H3 YHQUYJYCQFUYJC-UHFFFAOYSA-N 50610533 CHEMBL5287353 Beta-secretase 1 Homo sapiens 730 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610533&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171348397 494500281 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517088 CC12CC11Oc3cc(O)ccc3C1CC(C2)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 InChI=1S/C28H24O6/c1-27-12-16(6-20-19-5-4-18(30)11-25(19)34-28(20,27)13-27)26-21(31)7-15(8-22(26)32)23-9-14-2-3-17(29)10-24(14)33-23/h2-5,7-11,16,20,29-32H,6,12-13H2,1H3 OLHBPOQSQJYBCL-UHFFFAOYSA-N 50610534 CHEMBL5277231 Beta-secretase 1 Homo sapiens 1040 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610534&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171357338 494500282 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517089 CC(C)=CCC\C(C)=C\CC\C(C)=C/Cc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc(O)cc2o1 InChI=1S/C34H42O4/c1-22(2)9-7-10-24(5)11-8-12-25(6)14-18-29-31(37)21-30(36)28(17-13-23(3)4)34(29)33-19-26-15-16-27(35)20-32(26)38-33/h9,11,13-16,19-21,35-37H,7-8,10,12,17-18H2,1-6H3/b24-11+,25-14- KMGCRCBRLVWLGZ-RNQBDGKHSA-N 50610535 CHEMBL5278221 Beta-secretase 1 Homo sapiens 2030 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610535&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171354872 494500283 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517090 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 UFCLZKMFXSILNL-PSEXTPKNSA-N 50362838 CHEMBL249448 Beta-secretase 1 Homo sapiens 3310 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50362838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50362838&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281780 136966900 CHEMBL249448 C10468 ZINC04098735 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517091 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N 7458 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::Apigenin::Apigenin (2)::Apigenin (3)::Apigenin (7)::Apigenin, 13::CHEMBL28::Naringenin, 18::US10278929, Apigenin::US11337935, Compound Apigenin::acs.jmedchem.1c00409_ST.789::cid_5280443::jm5b01461, Compound 90 Beta-secretase 1 Homo sapiens 3790 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7458&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search AGI 4HKK,4DGM,5I2H,5AUV,4DER,7D3A,3AMY,4WO0,3CF9,5UQT 5280443 11108249 18388 CHEMBL28 DB07352 4136 C01477 ZINC03871576 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517092 COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3 IHLSBQVBFDTNTC-UHFFFAOYSA-N 50595385 Moslosooflavone Beta-secretase 1 Homo sapiens 2910 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50595385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50595385&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 188316 482606237 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517093 C[C@@H]1Cc2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O InChI=1S/C20H28O7/c1-9-6-12-7-10(2)16(22)15(12)11(3)13(9)4-5-26-20-19(25)18(24)17(23)14(8-21)27-20/h6,10,14,17-21,23-25H,4-5,7-8H2,1-3H3/t10-,14-,17-,18+,19-,20-/m1/s1 UQYNGSPDPASNLN-BLAIOOKWSA-N 50610536 CHEMBL4089910 Beta-secretase 1 Homo sapiens 18000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610536&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 134279 494500284 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517094 C[C@H]1[C@@H](O)c2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3/t10-,13+,15+,17+,18-,19+,20+/m0/s1 VKDMMOFAMUXTQZ-VLRRDGGXSA-N 50610537 CHEMBL5287890 Beta-secretase 1 Homo sapiens 28900 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610537&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 46848577 494500285 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517095 C[C@@H]1[C@@H](O)c2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3/t10-,13-,15-,17-,18+,19-,20-/m1/s1 VKDMMOFAMUXTQZ-AKMQMZFLSA-N 50610538 CHEMBL5278532 Beta-secretase 1 Homo sapiens 9740 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610538&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 169728 494500286 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517096 Cc1cc2[C@H](O)C(C)(C)C(=O)c2c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1 TUGWHBZURNWRDG-LNZAMEHWSA-N 50610539 CHEMBL4097388 Beta-secretase 1 Homo sapiens 10700 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610539&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 169738 494500287 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517097 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1 InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H PCZZRBGISTUIOA-UHFFFAOYSA-N 50259982 CHEMBL471187::US10106521, Compound Eckol::eckol Beta-secretase 1 Homo sapiens 7670 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50259982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50259982&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 145937 104109952 65819 CHEMBL471187 ZINC06091359 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517098 Oc1cc(O)cc(Oc2cc(O)c(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1 InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)48-27-11-18(40)28(47)35-34(27)53-31-22(44)8-17(9-26(31)52-35)49-29-20(42)6-16(7-21(29)43)50-32-23(45)10-24(46)33-36(32)54-30-19(41)4-14(39)5-25(30)51-33/h1-11,37-47H MSDHYTBXPYASNM-UHFFFAOYSA-N 50610540 CHEMBL5274481 Beta-secretase 1 Homo sapiens 2340 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610540&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171352548 494500288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517099 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)c(c(O)c4Oc23)-c2c(O)cc3Oc4c(O)cc(O)c(Oc5cc(O)cc(O)c5)c4Oc3c2O)c1 InChI=1S/C36H22O18/c37-11-1-12(38)4-15(3-11)49-29-19(43)7-21(45)31-35(29)53-33-23(51-31)9-17(41)25(27(33)47)26-18(42)10-24-34(28(26)48)54-36-30(20(44)8-22(46)32(36)52-24)50-16-5-13(39)2-14(40)6-16/h1-10,37-48H FHYNTHBAMAEFJB-UHFFFAOYSA-N 50479419 CHEMBL443626 Beta-secretase 1 Homo sapiens 1620 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50479419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50479419&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 3008867 433946684 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517100 OC(=O)\C=C\c1ccc(O)c(O)c1 InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N 4375 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid::(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9)::3,4-Dihydroxycinnamate, XVII::CHEMBL145::Caffeic acid::Caffeic acid, 1::cid_689043 Beta-secretase 1 Homo sapiens 16670 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4375&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search DHC 3HOF,2O7D,4FB4,1KOU,6YRI,4YU7,6AWU,4EYQ,5VFJ,6I72,7NRR,7YEN,3S2Z,4N0S 689043 8034051 16433 CHEMBL145 DB01880 5155 C01197 ZINC00058172 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517101 OCCc1ccc(O)c(O)c1 InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 JUUBCHWRXWPFFH-UHFFFAOYSA-N 50610571 3,4-Dihydroxyphenylethanol::CHEBI:68889::CHEMBL1950045 Beta-secretase 1 Homo sapiens 35 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610571&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 82755 494500319 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517102 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C)C1CC(=O)OCCc1ccc(O)c(O)c1 InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14?,18-,20-,21+,22-,24?,25+/m1/s1 RFWGABANNQMHMZ-MMMSKXSNSA-N 50610572 CHEMBL5272371 Beta-secretase 1 Homo sapiens 2760 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610572&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 9807309 494500320 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517103 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 FBSKJMQYURKNSU-ZLSOWSIRSA-N 50241867 ((2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-3-yl) 3-(3,4-dihydroxyphenyl)acrylate::((2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-3-yl)3-(3,4-dihydroxyphenyl)acrylate::ACETOSIDE::CHEMBL231853::cid_24978601::cid_5281800::verbacoside::verbascoside Beta-secretase 1 Homo sapiens 6.3 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241867&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5281800 104098883 CHEMBL231853 C02757 ZINC08234351 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517104 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 HRFGZDXDXWODFE-NVPNHPEKSA-N 50217942 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside::3-Rhamnoglucosylquercetin::3-Rutinosyl quercetin::CHEMBL226335::cid_5280805::rutin Beta-secretase 1 Homo sapiens 3.8 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50217942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50217942&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search RUT 1RY8,8C3Q 5280805 104091802 28527 CHEMBL226335 C02757 ZINC04096846 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517105 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N 7459 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one::CHEMBL151::Luteolin (27)::Luteolin (4)::acs.jmedchem.1c00409_ST.600::cid_5280445::luteolin::med.21724, Compound 3 Beta-secretase 1 Homo sapiens 520 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7459&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search LU2 4HKN,4QYA,6YA5,4DGN,5AUU,6M8A,4DEW,3SZ1,7D3B,7EBV,5II2,5NDF,4QXV 5280445 11108250 15864 CHEMBL151 5215 C01514 ZINC18185774 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517106 COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1OC InChI=1S/C21H24N2O4/c1-26-18-9-8-17(14-19(18)27-2)22-20(24)15-10-12-23(13-11-15)21(25)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,22,24) JEPNAQSFBMZOEC-UHFFFAOYSA-N 50610546 CHEMBL1613299 Beta-secretase 1 Homo sapiens 18 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610546&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2295521 494500294 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517107 COc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccccc1 InChI=1S/C20H22N2O3/c1-25-18-10-6-5-9-17(18)21-19(23)15-11-13-22(14-12-15)20(24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,23) XRTYGCKYPFSQNR-UHFFFAOYSA-N 50610545 CHEMBL5266286 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610545&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 754882 494500293 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517108 COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1 InChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)21-19(23)15-11-13-22(14-12-15)20(24)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,23) XDISZLBVVBRPIK-UHFFFAOYSA-N 50610544 CHEMBL5268019 Beta-secretase 1 Homo sapiens 19 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610544&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 110298358 494500292 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517109 COc1ccc(NCC2CCN(Cc3ccccc3)CC2)cc1OC InChI=1S/C21H28N2O2/c1-24-20-9-8-19(14-21(20)25-2)22-15-17-10-12-23(13-11-17)16-18-6-4-3-5-7-18/h3-9,14,17,22H,10-13,15-16H2,1-2H3 HWDZHFHEYVMTKZ-UHFFFAOYSA-N 50610543 CHEMBL5287982 Beta-secretase 1 Homo sapiens 243 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610543&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171345473 494500291 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517110 COc1ccccc1NCC1CCN(Cc2ccccc2)CC1 InChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-15-17-11-13-22(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,21H,11-16H2,1H3 KUZVHUCPWIDIGV-UHFFFAOYSA-N 50610542 CHEMBL5274016 Beta-secretase 1 Homo sapiens 277 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610542&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154727098 494500290 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517111 COc1ccc(NCC2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C20H26N2O/c1-23-20-9-7-19(8-10-20)21-15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3 MODXTBIKOSPADE-UHFFFAOYSA-N 50610541 CHEMBL5268811 Beta-secretase 1 Homo sapiens 253 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610541&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154729166 494500289 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517112 O=C(N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O)c1ccccc1 InChI=1S/C24H16N2O4/c27-21-13-17-12-18(26-23(29)19-8-4-5-9-20(19)24(26)30)11-10-16(17)14-25(21)22(28)15-6-2-1-3-7-15/h1-12H,13-14H2 UHILWSKZCOLDGP-UHFFFAOYSA-N 50610551 CHEMBL5279409 Beta-secretase 1 Homo sapiens 5.9 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171357420 494500299 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517113 Cc1cccc(c1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O InChI=1S/C25H18N2O4/c1-15-5-4-6-16(11-15)23(29)26-14-17-9-10-19(12-18(17)13-22(26)28)27-24(30)20-7-2-3-8-21(20)25(27)31/h2-12H,13-14H2,1H3 ABXOSVSNRQUCLU-UHFFFAOYSA-N 50610552 CHEMBL5273978 Beta-secretase 1 Homo sapiens 4.5 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171353514 494500300 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517114 COc1ccccc1C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O InChI=1S/C25H18N2O5/c1-32-21-9-5-4-8-20(21)23(29)26-14-15-10-11-17(12-16(15)13-22(26)28)27-24(30)18-6-2-3-7-19(18)25(27)31/h2-12H,13-14H2,1H3 YXGNCQQSGCFRBR-UHFFFAOYSA-N 50610553 CHEMBL5277927 Beta-secretase 1 Homo sapiens 3.0 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610553&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171357355 494500301 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517115 COc1ccc(cc1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O InChI=1S/C25H18N2O5/c1-32-19-10-7-15(8-11-19)23(29)26-14-16-6-9-18(12-17(16)13-22(26)28)27-24(30)20-4-2-3-5-21(20)25(27)31/h2-12H,13-14H2,1H3 AFNVVBKBUOQYFZ-UHFFFAOYSA-N 50610554 CHEMBL5289994 Beta-secretase 1 Homo sapiens 1.7 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610554&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171358361 494500302 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517116 C\C(=C/C1=CCN(C(=O)CCc2ccccc2)C(=O)C1)N1C(=O)c2ccccc2C1=O InChI=1S/C25H22N2O4/c1-17(27-24(30)20-9-5-6-10-21(20)25(27)31)15-19-13-14-26(23(29)16-19)22(28)12-11-18-7-3-2-4-8-18/h2-10,13,15H,11-12,14,16H2,1H3/b17-15+ KIEWLGRGIVAZSL-BMRADRMJSA-N 50610555 CHEMBL5267312 Beta-secretase 1 Homo sapiens 2.1 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610555&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171349764 494500303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517117 COc1cc(\C=C\c2nnc(o2)-c2ccc(cc2)C(F)(F)F)ccc1O InChI=1S/C18H13F3N2O3/c1-25-15-10-11(2-8-14(15)24)3-9-16-22-23-17(26-16)12-4-6-13(7-5-12)18(19,20)21/h2-10,24H,1H3/b9-3+ JYQOQNLXJDCXHD-YCRREMRBSA-N 50587753 CHEMBL5190569 Beta-secretase 1 Homo sapiens 0.255000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587753&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168281596 482598605 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517118 COc1cc(\C=C\c2nnc(o2)-c2ccc(OC(F)(F)F)cc2)ccc1O InChI=1S/C18H13F3N2O4/c1-25-15-10-11(2-8-14(15)24)3-9-16-22-23-17(26-16)12-4-6-13(7-5-12)27-18(19,20)21/h2-10,24H,1H3/b9-3+ HDXNOXGBBUGQSX-YCRREMRBSA-N 50587754 CHEMBL5197518 Beta-secretase 1 Homo sapiens 0.211000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50587754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50587754&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168284799 482598606 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517119 COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2)ccc1O InChI=1S/C17H13ClN2O3/c1-22-15-10-11(2-8-14(15)21)3-9-16-19-20-17(23-16)12-4-6-13(18)7-5-12/h2-10,21H,1H3/b9-3+ QQKLBMIMHAJCJI-YCRREMRBSA-N 50610556 CHEMBL5266033 Beta-secretase 1 Homo sapiens 0.628000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610556&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171351296 494500304 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517120 COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2Cl)ccc1O InChI=1S/C17H12Cl2N2O3/c1-23-15-8-10(2-6-14(15)22)3-7-16-20-21-17(24-16)12-5-4-11(18)9-13(12)19/h2-9,22H,1H3/b7-3+ XIJPSDHGQSTMMS-XVNBXDOJSA-N 50610557 CHEMBL5272625 Beta-secretase 1 Homo sapiens 0.864000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610557&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171347605 494500305 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517121 COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2)ccc1O InChI=1S/C17H13FN2O3/c1-22-15-10-11(2-8-14(15)21)3-9-16-19-20-17(23-16)12-4-6-13(18)7-5-12/h2-10,21H,1H3/b9-3+ NHZQTQJHVKGWNO-YCRREMRBSA-N 50610558 CHEMBL5269238 Beta-secretase 1 Homo sapiens 0.479000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610558&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171342373 494500306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517122 COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2F)ccc1O InChI=1S/C17H12F2N2O3/c1-23-15-8-10(2-6-14(15)22)3-7-16-20-21-17(24-16)12-5-4-11(18)9-13(12)19/h2-9,22H,1H3/b7-3+ OAGDEHOMTUDPHF-XVNBXDOJSA-N 50610559 CHEMBL5286535 Beta-secretase 1 Homo sapiens 0.624000 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610559&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171347494 494500307 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517123 COc1ccc(\C=C\C(=O)c2cc(I)c(Cl)cc2O)cc1 InChI=1S/C16H12ClIO3/c1-21-11-5-2-10(3-6-11)4-7-15(19)12-8-14(18)13(17)9-16(12)20/h2-9,20H,1H3/b7-4+ QLCWXMQTECDEPJ-QPJJXVBHSA-N 50610560 CHEMBL5265752 Beta-secretase 1 Homo sapiens 14 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610560&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171349403 494500308 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517124 Oc1cc(Br)c(I)cc1C(=O)\C=C\c1ccc(F)cc1 InChI=1S/C15H9BrFIO2/c16-12-8-15(20)11(7-13(12)18)14(19)6-3-9-1-4-10(17)5-2-9/h1-8,20H/b6-3+ SOPWLEVFHSWSKJ-ZZXKWVIFSA-N 50610561 CHEMBL5291052 Beta-secretase 1 Homo sapiens 4.7 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610561&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171358657 494500309 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517125 COc1cc(O)c(cc1I)C(=O)\C=C\c1ccc(F)cc1 InChI=1S/C16H12FIO3/c1-21-16-9-15(20)12(8-13(16)18)14(19)7-4-10-2-5-11(17)6-3-10/h2-9,20H,1H3/b7-4+ HEQJVGJFFZGZOW-QPJJXVBHSA-N 50610562 CHEMBL5275941 Beta-secretase 1 Homo sapiens 25 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610562&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171353591 494500310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517126 COc1ccc(\C=C\C(=O)c2cc(I)c(OC)cc2O)cc1 InChI=1S/C17H15IO4/c1-21-12-6-3-11(4-7-12)5-8-15(19)13-9-14(18)17(22-2)10-16(13)20/h3-10,20H,1-2H3/b8-5+ WZBZEXVUPQKLJA-VMPITWQZSA-N 50610563 CHEMBL5272974 Beta-secretase 1 Homo sapiens 71 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610563&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13625656 494500311 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517127 Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(F)cc1 InChI=1S/C15H7F2IO3/c16-8-3-1-7(2-4-8)15-14(20)13(19)9-5-11(18)10(17)6-12(9)21-15/h1-6,20H ZGOGMVHNWUBZGX-UHFFFAOYSA-N 50610564 CHEMBL5282833 Beta-secretase 1 Homo sapiens 32 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610564&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171352143 494500312 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517128 Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(Cl)cc1 InChI=1S/C15H7ClFIO3/c16-8-3-1-7(2-4-8)15-14(20)13(19)9-5-11(18)10(17)6-12(9)21-15/h1-6,20H SCFYJLFSWICSOK-UHFFFAOYSA-N 50610565 CHEMBL5274465 Beta-secretase 1 Homo sapiens 17 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610565&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171357583 494500313 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517129 CNCCN(Cc1ccc(OC)cc1)c1ccccn1 InChI=1S/C16H21N3O/c1-17-11-12-19(16-5-3-4-10-18-16)13-14-6-8-15(20-2)9-7-14/h3-10,17H,11-13H2,1-2H3 LWKSMQXIHQRJJJ-UHFFFAOYSA-N 50404156 CHEMBL5272243 Beta-secretase 1 Homo sapiens 16 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404156&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 153224 163353180 CHEMBL624 ZINC02584239 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517130 COc1ccc(cc1)-c1oc2cc(OC)c(I)cc2c(=O)c1O InChI=1S/C17H13IO5/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)11-7-12(18)14(22-2)8-13(11)23-17/h3-8,20H,1-2H3 KZNYVZFDNAOGPE-UHFFFAOYSA-N 50610566 CHEMBL5278429 Beta-secretase 1 Homo sapiens 22 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610566&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171355593 494500314 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517131 Fc1cccc(c1)-c1cc2cc3c(cc2o1)occ(\C=N\Nc1ccc(cc1)C(F)(F)F)c3=O InChI=1S/C25H14F4N2O3/c26-18-3-1-2-14(8-18)21-10-15-9-20-23(11-22(15)34-21)33-13-16(24(20)32)12-30-31-19-6-4-17(5-7-19)25(27,28)29/h1-13,31H/b30-12+ SKVONSLWYHHDMW-PNQUVVCRSA-N 50610567 CHEMBL5288752 Beta-secretase 1 Homo sapiens 17300 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610567&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171350701 494500315 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517132 FC(F)(F)c1ccc(N\N=C\c2coc3cc4oc(cc4cc3c2=O)-c2cccc(Cl)c2)cc1 InChI=1S/C25H14ClF3N2O3/c26-18-3-1-2-14(8-18)21-10-15-9-20-23(11-22(15)34-21)33-13-16(24(20)32)12-30-31-19-6-4-17(5-7-19)25(27,28)29/h1-13,31H/b30-12+ NPIPNWVXYISVFC-PNQUVVCRSA-N 50610568 CHEMBL5268805 Beta-secretase 1 Homo sapiens 32800 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610568&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171343829 494500316 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517133 COc1ccc(cc1)-c1cc2cc3c(cc2o1)occ(\C=N\Nc1ccc(cc1)C(F)(F)F)c3=O InChI=1S/C26H17F3N2O4/c1-33-20-8-2-15(3-9-20)22-11-16-10-21-24(12-23(16)35-22)34-14-17(25(21)32)13-30-31-19-6-4-18(5-7-19)26(27,28)29/h2-14,31H,1H3/b30-13+ JJXYJVCUHXNVFT-VVEOGCPPSA-N 50610569 CHEMBL5288184 Beta-secretase 1 Homo sapiens 25300 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610569&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171349648 494500317 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517134 COc1ccc(CN(CCN(C)CCN)c2ccccn2)cc1 InChI=1S/C18H26N4O/c1-21(12-10-19)13-14-22(18-5-3-4-11-20-18)15-16-6-8-17(23-2)9-7-16/h3-9,11H,10,12-15,19H2,1-2H3 LAGKZORWQABGEE-UHFFFAOYSA-N 50404155 CHEMBL5270046 Beta-secretase 1 Homo sapiens 13600 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404155&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 19762590 163353179 CHEMBL416378 ZINC22927354 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51517135 Fc1cccc(c1)-c1cc2c(ccc3c2occ(\C=N\Nc2ccc(cc2)C(F)(F)F)c3=O)o1 InChI=1S/C25H14F4N2O3/c26-17-3-1-2-14(10-17)22-11-20-21(34-22)9-8-19-23(32)15(13-33-24(19)20)12-30-31-18-6-4-16(5-7-18)25(27,28)29/h1-13,31H/b30-12+ OGHBHMLRBZGPMV-PNQUVVCRSA-N 50610570 CHEMBL5273380 Beta-secretase 1 Homo sapiens 15800 ChEMBL 10.7270/Q2F19402 33984802 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50610570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50610570&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 171349132 494500318 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988697 NC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 InChI=1S/C20H17N3O2/c21-20(25)22-19(24)14-23-12-10-15(11-13-23)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H2-,21,22,24,25)/p+1/b9-8+ SLDBJHRATTTWIW-CMDGGOBGSA-O 50405548 CHEMBL5270666 Beta-secretase 1 Homo sapiens 44 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405548&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13972319 163354572 CHEMBL279153 ZINC28224222 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988698 CCOC(=O)C(C(=O)OCC)[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 InChI=1S/C24H24NO4/c1-3-28-23(26)22(24(27)29-4-2)25-16-14-18(15-17-25)12-13-20-10-7-9-19-8-5-6-11-21(19)20/h5-17,22H,3-4H2,1-2H3/q+1/b13-12+ XIXXBESWGAFMEO-OUKQBFOZSA-N 50405549 CHEMBL5281134 Beta-secretase 1 Homo sapiens 6920 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405549&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13972313 163354573 CHEMBL278309 ZINC28225368 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988699 Cn1c(N\N=C\c2cccc(Cl)c2Cl)nc2ccccc2c1=O InChI=1S/C16H12Cl2N4O/c1-22-15(23)11-6-2-3-8-13(11)20-16(22)21-19-9-10-5-4-7-12(17)14(10)18/h2-9H,1H3,(H,20,21)/b19-9+ XJBWMPUXHQBNHR-DJKKODMXSA-N 50594701 CHEMBL5206612 Beta-secretase 1 Homo sapiens 3700 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594701&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 168297400 482605553 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988700 CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17) XWRLROSVVBGPPA-UHFFFAOYSA-N 394123 US9975861, 3::US9975861, 4::US9975861, 5 Beta-secretase 1 Homo sapiens 16050 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=394123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=394123&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 136728217 405264235 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988701 CCCCCCC(C)OC(=O)CC(=O)C[n+]1ccc(C=Cc2cccc3ccccc23)cc1 InChI=1S/C29H34NO3/c1-3-4-5-6-10-23(2)33-29(32)21-27(31)22-30-19-17-24(18-20-30)15-16-26-13-9-12-25-11-7-8-14-28(25)26/h7-9,11-20,23H,3-6,10,21-22H2,1-2H3/q+1 PWVDOQNTUBABHM-UHFFFAOYSA-N 50405550 CHEMBL5273082 Beta-secretase 1 Homo sapiens 11420 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405550&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13972323 163354574 CHEMBL18863 ZINC28222002 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988702 CC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 InChI=1S/C19H18N/c1-2-20-14-12-16(13-15-20)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-15H,2H2,1H3/q+1/b11-10+ WOCXTQOOZVZSCS-ZHACJKMWSA-N 50405551 CHEMBL5287811 Beta-secretase 1 Homo sapiens 690 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405551&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13972296 163354575 CHEMBL279876 ZINC28225558 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50988704 CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 InChI=1S/C21H20NO2/c1-2-24-21(23)16-22-14-12-17(13-15-22)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3/q+1/b11-10+ ATLOYKCQCLKTHS-ZHACJKMWSA-N 50405552 CHEMBL5290942 Beta-secretase 1 Homo sapiens 97000 ChEMBL 10.7270/Q21G0RFP 36265268 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405552&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13972311 163354576 CHEMBL19487 ZINC28224069 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993236 C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 MJQMRGWYPNIERM-HNNXBMFYSA-N 50012632 CHEMBL2333941 Beta-secretase 1 Homo sapiens 571 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012632&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 4B2 4YBI 44251605 103924885 CHEMBL2333941 ZINC18098141 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993242 C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 VLLFGVHGKLDDLW-SFHVURJKSA-N 210070 US9270353, 17 Beta-secretase 1 Homo sapiens 9.8 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210070&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search H3C 7DCZ 68254185 329586303 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993244 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 ORHZQSYKGHHDOP-IBGZPJMESA-N 50457586 CHEMBL4213486 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457586&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 0B6 5YGY 71466345 433924851 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993245 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N InChI=1S/C20H17F2N5O2/c1-11-5-12(9-23)10-25-17(11)18(28)26-13-3-4-16(22)15(6-13)20(2)7-14(8-21)29-19(24)27-20/h3-7,10H,8H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1 JJMGWWLDRBWVOL-FQEVSTJZSA-N 50457592 CHEMBL4204742 Beta-secretase 1 Homo sapiens 67 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457592&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974892 433924857 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993253 Cc1c(oc2cc(O)ccc12)S(N)(=O)=O InChI=1S/C9H9NO4S/c1-5-7-3-2-6(11)4-8(7)14-9(5)15(10,12)13/h2-4,11H,1H3,(H2,10,12,13) HDSWKSYQNVHWFN-UHFFFAOYSA-N 50406332 CHEMBL5274069 Beta-secretase 1 Homo sapiens 155 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406332&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44377632 163355356 CHEMBL451547 ZINC27860785 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993257 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C19H14ClF2N5O2/c1-19(6-12(7-21)29-18(24)27-19)13-5-11(2-3-15(13)22)26-17(28)16-14(20)4-10(8-23)9-25-16/h2-6,9H,7H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1 IVXNPNJKLCMFDG-IBGZPJMESA-N 50457601 CHEMBL4207962 Beta-secretase 1 Homo sapiens 95 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457601&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974905 433924866 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993259 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 InChI=1S/C18H17F2N5O3/c1-18(6-11(7-19)28-17(21)25-18)12-5-10(3-4-13(12)20)24-16(26)14-8-23-15(27-2)9-22-14/h3-6,8-9H,7H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1 SPJCTRRFHZHVDF-SFHVURJKSA-N 50457593 CHEMBL4203599 Beta-secretase 1 Homo sapiens 241 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457593&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974906 433924858 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993261 CC(=O)Oc1ccc2[nH]c(cc2c1)S(N)(=O)=O InChI=1S/C10H10N2O4S/c1-6(13)16-8-2-3-9-7(4-8)5-10(12-9)17(11,14)15/h2-5,12H,1H3,(H2,11,14,15) FKQHTNYYEVWPEK-UHFFFAOYSA-N 50406333 CHEMBL5285805 Beta-secretase 1 Homo sapiens 491 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406333&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44377760 163355357 CHEMBL354062 ZINC27878921 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993268 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F InChI=1S/C18H15F4N5O2/c1-18(5-10(6-19)29-17(23)27-18)11-4-9(2-3-12(11)20)26-16(28)14-8-24-13(7-25-14)15(21)22/h2-5,7-8,15H,6H2,1H3,(H2,23,27)(H,26,28)/t18-/m0/s1 YOCCHFJQUBFRGO-SFHVURJKSA-N 50457594 CHEMBL4215276 Beta-secretase 1 Homo sapiens 313 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457594&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974886 433924859 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993269 CC(C)(C)C(=O)Oc1ccc2cc(oc2c1)S(N)(=O)=O InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-5-4-8-6-11(20(14,16)17)19-10(8)7-9/h4-7H,1-3H3,(H2,14,16,17) HHCCIHUEMGXQMD-UHFFFAOYSA-N 50406334 CHEMBL5285608 Beta-secretase 1 Homo sapiens 241 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406334&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 13504193 163355358 CHEMBL121086 ZINC13475424 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993273 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F InChI=1S/C17H14F4N4O3/c1-17(5-9(6-18)28-16(22)25-17)10-4-8(2-3-11(10)19)23-14(26)12-7-27-15(24-12)13(20)21/h2-5,7,13H,6H2,1H3,(H2,22,25)(H,23,26)/t17-/m0/s1 SCMVSVKVGVGMJP-KRWDZBQOSA-N 50457599 CHEMBL4212335 Beta-secretase 1 Homo sapiens 94 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457599&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974884 433924864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993277 C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(CF)n2)ccc1F InChI=1S/C17H15F3N4O3/c1-17(5-10(6-18)27-16(21)24-17)11-4-9(2-3-12(11)20)22-15(25)13-8-26-14(7-19)23-13/h2-5,8H,6-7H2,1H3,(H2,21,24)(H,22,25)/t17-/m0/s1 IJYGDLPFIPYGRW-KRWDZBQOSA-N 50457587 CHEMBL4207430 Beta-secretase 1 Homo sapiens 48 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457587&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 89974871 433924852 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50993280 Nc1ccc2oc(cc2c1)S(N)(=O)=O InChI=1S/C8H8N2O3S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H,9H2,(H2,10,11,12) CQPVSEQFPABIRR-UHFFFAOYSA-N 50406335 CHEMBL5291027 Beta-secretase 1 Homo sapiens 82 ChEMBL 10.7270/Q2RV0SXP 36793434 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406335&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 44377611 163355359 CHEMBL164126 ZINC27868379 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51549595 CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1 InChI=1S/C29H38N2O/c1-29(2,3)26-16-10-11-23(19-26)20-31-22-27(32)21-30-18-17-28(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-16,19,27-28,30-32H,17-18,20-22H2,1-3H3 QEVPSMYJQDNACG-UHFFFAOYSA-N 50570584 CHEMBL4860825 Beta-secretase 1 Homo sapiens 41000 ChEMBL 10.1016/j.ejmech.2023.115135 10.7270/Q2571HDJ 36696766 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50570584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50570584&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 154701599 471060729 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543550 CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccccc1 InChI=1S/C28H34N4O2S/c1-31(25(15-16-29)28(33)30-21-22-9-3-2-4-10-22)17-19-34-20-18-32-23-11-5-7-13-26(23)35-27-14-8-6-12-24(27)32/h2-14,25H,15-21,29H2,1H3,(H,30,33) VWNUHTBUXQXDBB-UHFFFAOYSA-N 50620816 CHEMBL5411369 Beta-secretase 1 Homo sapiens 22900 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620816&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543551 CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccccc1Cl InChI=1S/C28H33ClN4O2S/c1-32(25(14-15-30)28(34)31-20-21-8-2-3-9-22(21)29)16-18-35-19-17-33-23-10-4-6-12-26(23)36-27-13-7-5-11-24(27)33/h2-13,25H,14-20,30H2,1H3,(H,31,34) YHPOZYSNXJXRBZ-UHFFFAOYSA-N 50620823 CHEMBL5423337 Beta-secretase 1 Homo sapiens 5170 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620823&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543552 CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C28H33ClN4O2S/c1-32(25(14-15-30)28(34)31-20-21-10-12-22(29)13-11-21)16-18-35-19-17-33-23-6-2-4-8-26(23)36-27-9-5-3-7-24(27)33/h2-13,25H,14-20,30H2,1H3,(H,31,34) HAJZMHJFOROAIK-UHFFFAOYSA-N 50620824 CHEMBL5423316 Beta-secretase 1 Homo sapiens 1570 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620824&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543553 CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccc(F)cc1 InChI=1S/C28H33FN4O2S/c1-32(25(14-15-30)28(34)31-20-21-10-12-22(29)13-11-21)16-18-35-19-17-33-23-6-2-4-8-26(23)36-27-9-5-3-7-24(27)33/h2-13,25H,14-20,30H2,1H3,(H,31,34) SBYUTIVVJPVTAS-UHFFFAOYSA-N 50620825 CHEMBL5411905 Beta-secretase 1 Homo sapiens 5350 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620825&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543554 CN(CCOCCn1c2ccccc2c2ccccc12)C(CCN)C(=O)NCc1ccccc1 InChI=1S/C28H34N4O2/c1-31(27(15-16-29)28(33)30-21-22-9-3-2-4-10-22)17-19-34-20-18-32-25-13-7-5-11-23(25)24-12-6-8-14-26(24)32/h2-14,27H,15-21,29H2,1H3,(H,30,33) QKQLOWOEIZDYQR-UHFFFAOYSA-N 50620834 CHEMBL5440565 Beta-secretase 1 Homo sapiens 9420 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620834&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543555 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1 VPNIQGRFZCTBEZ-SPTGULJVSA-N 16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1 Beta-secretase 1 Homo sapiens 59 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16034&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5HA 3TPP,3TPR,2B8L 5287532 46516301 CHEMBL378225 ZINC14960423 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543556 CN(CC\C=C\c1ccccc1-c1ccc(Cl)cc1Cl)C(CCN)C(=O)NCc1ccccc1 InChI=1S/C28H31Cl2N3O/c1-33(27(16-17-31)28(34)32-20-21-9-3-2-4-10-21)18-8-7-12-22-11-5-6-13-24(22)25-15-14-23(29)19-26(25)30/h2-7,9-15,19,27H,8,16-18,20,31H2,1H3,(H,32,34)/b12-7+ MQYNXCWNQOZLMM-KPKJPENVSA-N 50620815 CHEMBL5404846 Beta-secretase 1 Homo sapiens 5410 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620815&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543557 CN(CCC=C1c2ccccc2-c2ccccc12)C(CCO)C(=O)NCc1ccccc1 InChI=1S/C28H30N2O2/c1-30(27(17-19-31)28(32)29-20-21-10-3-2-4-11-21)18-9-16-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-16,27,31H,9,17-20H2,1H3,(H,29,32) QTUSIFYNKFDOPP-UHFFFAOYSA-N 50577063 CHEMBL4868987 Beta-secretase 1 Homo sapiens 19500 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577063&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164620637 471053186 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543558 CN(CCC=C1c2ccccc2-c2ccccc12)C(CCO)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C28H29ClN2O2/c1-31(27(16-18-32)28(33)30-19-20-12-14-21(29)15-13-20)17-6-11-26-24-9-4-2-7-22(24)23-8-3-5-10-25(23)26/h2-5,7-15,27,32H,6,16-19H2,1H3,(H,30,33) NVANWUIOWBFDEC-UHFFFAOYSA-N 50577065 CHEMBL4849009 Beta-secretase 1 Homo sapiens 17300 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577065&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614925 471053188 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543559 CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCN)C(=O)NCc1ccccc1 InChI=1S/C30H35N3O/c1-33(29(19-20-31)30(34)32-22-23-10-3-2-4-11-23)21-9-16-28-26-14-7-5-12-24(26)17-18-25-13-6-8-15-27(25)28/h2-8,10-16,29H,9,17-22,31H2,1H3,(H,32,34) GNTZZKMAQQSFOH-UHFFFAOYSA-N 50577078 CHEMBL4854550 Beta-secretase 1 Homo sapiens 6680 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577078&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164614582 471053201 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543560 CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCN)C(=O)NCc1ccccc1Cl InChI=1S/C30H34ClN3O/c1-34(29(18-19-32)30(35)33-21-24-11-4-7-15-28(24)31)20-8-14-27-25-12-5-2-9-22(25)16-17-23-10-3-6-13-26(23)27/h2-7,9-15,29H,8,16-21,32H2,1H3,(H,33,35) JPAMFFFLVIJEBI-UHFFFAOYSA-N 50577079 CHEMBL4859850 Beta-secretase 1 Homo sapiens 5130 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577079&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164618011 471053202 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543561 CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCN)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C30H34ClN3O/c1-34(29(18-19-32)30(35)33-21-22-12-16-25(31)17-13-22)20-6-11-28-26-9-4-2-7-23(26)14-15-24-8-3-5-10-27(24)28/h2-5,7-13,16-17,29H,6,14-15,18-21,32H2,1H3,(H,33,35) MEYQZEAPWOENKX-UHFFFAOYSA-N 50577080 CHEMBL4873878 Beta-secretase 1 Homo sapiens 29000 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577080&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164619901 471053203 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543562 CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCN)C(=O)NCc1ccc(F)cc1 InChI=1S/C30H34FN3O/c1-34(29(18-19-32)30(35)33-21-22-12-16-25(31)17-13-22)20-6-11-28-26-9-4-2-7-23(26)14-15-24-8-3-5-10-27(24)28/h2-5,7-13,16-17,29H,6,14-15,18-21,32H2,1H3,(H,33,35) XQKOUGSYVSHRGU-UHFFFAOYSA-N 50577081 CHEMBL4852705 Beta-secretase 1 Homo sapiens 4880 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577081&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164611745 471053204 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51543563 CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCN)C(=O)NCc1ccc(C)cc1 InChI=1S/C31H37N3O/c1-23-13-15-24(16-14-23)22-33-31(35)30(19-20-32)34(2)21-7-12-29-27-10-5-3-8-25(27)17-18-26-9-4-6-11-28(26)29/h3-6,8-16,30H,7,17-22,32H2,1-2H3,(H,33,35) LTGIWDWJRRMWFN-UHFFFAOYSA-N 50577082 CHEMBL4861574 Beta-secretase 1 Homo sapiens 4030 ChEMBL 10.1016/j.ejmech.2023.115832 10.7270/Q2WM1JS6 37837674 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50577082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50577082&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 164613652 471053205 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51545133 Clc1ccc(cc1)-c1cc(no1)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12 InChI=1S/C25H22Cl2N4O2/c26-16-7-5-15(6-8-16)23-14-22(31-33-23)25(32)29-12-11-28-24-18-3-1-2-4-20(18)30-21-13-17(27)9-10-19(21)24/h5-10,13-14H,1-4,11-12H2,(H,28,30)(H,29,32) ZOLIYHKIBNXSAZ-UHFFFAOYSA-N 50621456 CHEMBL5402779 Beta-secretase 1 Homo sapiens 1650 ChEMBL 10.1016/j.ejmech.2022.114695 10.7270/Q2K078MX 36044812 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621456&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51545134 Fc1ccc(CN2CCN(CC2)c2ccc(Br)cc2NC(=O)c2cc3ccccc3oc2=N)cc1 InChI=1S/C27H24BrFN4O2/c28-20-7-10-24(33-13-11-32(12-14-33)17-18-5-8-21(29)9-6-18)23(16-20)31-27(34)22-15-19-3-1-2-4-25(19)35-26(22)30/h1-10,15-16,30H,11-14,17H2,(H,31,34) SNJYCIJQXGAORQ-UHFFFAOYSA-N 50621452 CHEMBL5411394 Beta-secretase 1 Homo sapiens 6310 ChEMBL 10.1016/j.ejmech.2022.114695 10.7270/Q2K078MX 36044812 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621452&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51545142 FC(F)(F)c1ccc(cc1)-c1nnc(CNC2CCN(Cc3ccccc3)C2)o1 InChI=1S/C21H21F3N4O/c22-21(23,24)17-8-6-16(7-9-17)20-27-26-19(29-20)12-25-18-10-11-28(14-18)13-15-4-2-1-3-5-15/h1-9,18,25H,10-14H2 FKBZPOPRHZPSRO-UHFFFAOYSA-N 50621461 CHEMBL5409365 Beta-secretase 1 Homo sapiens 143 ChEMBL 10.1016/j.ejmech.2022.114695 10.7270/Q2K078MX 36044812 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621461&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51552372 COc1cccc(\C=N\C2CCN(Cc3ccccc3)CC2)c1OC InChI=1S/C21H26N2O2/c1-24-20-10-6-9-18(21(20)25-2)15-22-19-11-13-23(14-12-19)16-17-7-4-3-5-8-17/h3-10,15,19H,11-14,16H2,1-2H3/b22-15+ GGLDJGOCUBPSEY-PXLXIMEGSA-N 50535290 CHEMBL4444849 Beta-secretase 1 Homo sapiens 6300 ChEMBL 10.1016/j.ejmech.2022.114689 10.7270/Q22Z19X3 36007469 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50535290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50535290&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 2742082 440743872 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51552373 CC(C)=CC(O)C\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+ BKIACVAZUKISOR-MKMNVTDBSA-N 50375219 CHEMBL258939 Beta-secretase 1 Homo sapiens 26010 ChEMBL 10.1016/j.ejmech.2022.114689 10.7270/Q22Z19X3 36007469 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5320227 160854309 CHEMBL258939 C17499 ZINC29056306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51552404 CC(C)=CC(O)C\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+ BKIACVAZUKISOR-MKMNVTDBSA-N 50375219 CHEMBL258939 Beta-secretase 1 Homo sapiens 26010 ChEMBL 10.1016/j.ejmech.2022.114689 10.7270/Q22Z19X3 36007469 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375219&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 5320227 160854309 CHEMBL258939 C17499 ZINC29056306 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51552405 Fc1ccc(CNC2CCN(CCCOc3cc(=O)oc4cc(ccc34)-c3cccnc3)CC2)cc1F InChI=1S/C29H29F2N3O3/c30-25-7-4-20(15-26(25)31)18-33-23-8-12-34(13-9-23)11-2-14-36-27-17-29(35)37-28-16-21(5-6-24(27)28)22-3-1-10-32-19-22/h1,3-7,10,15-17,19,23,33H,2,8-9,11-14,18H2 AAFCQPLQQXESIV-UHFFFAOYSA-N 50624575 CHEMBL5430322 Beta-secretase 1 Homo sapiens 1806 ChEMBL 10.1016/j.ejmech.2022.114689 10.7270/Q22Z19X3 36007469 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50624575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50624575&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51552406 O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(cc2o1)-c1cccnc1 InChI=1S/C29H31N3O3/c33-29-19-27(26-10-9-23(18-28(26)35-29)24-8-4-13-30-20-24)34-17-5-14-31-25-11-15-32(16-12-25)21-22-6-2-1-3-7-22/h1-4,6-10,13,18-20,25,31H,5,11-12,14-17,21H2 XDBAVOMSRFQENP-UHFFFAOYSA-N 50624581 CHEMBL5396142 Beta-secretase 1 Homo sapiens 1227 ChEMBL 10.1016/j.ejmech.2022.114689 10.7270/Q22Z19X3 36007469 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50624581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50624581&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561414 CCCN1CCCCOc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 InChI=1S/C35H45N3O5/c1-5-17-38-18-6-7-19-43-30-16-8-11-25(20-30)21-31(37-33(40)26-12-9-13-27(22-26)34(38)41)32(39)24-36-35(2,3)28-14-10-15-29(23-28)42-4/h8-16,20,22-23,31-32,36,39H,5-7,17-19,21,24H2,1-4H3,(H,37,40)/t31-,32+/m0/s1 FGOYNOLZZKCCHM-AJQTZOPKSA-N 50627690 CHEMBL5415222 Beta-secretase 1 Homo sapiens 380 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627690&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561415 COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNC(=O)c3cccc(c3)C(=O)N1)c2 InChI=1S/C32H39N3O5/c1-32(2,25-12-8-13-26(20-25)39-3)34-21-29(36)28-18-22-9-6-14-27(17-22)40-16-5-4-15-33-30(37)23-10-7-11-24(19-23)31(38)35-28/h6-14,17,19-20,28-29,34,36H,4-5,15-16,18,21H2,1-3H3,(H,33,37)(H,35,38)/t28-,29+/m0/s1 LBDNOWPWPVBZSU-URLMMPGGSA-N 50627691 CHEMBL5399890 Beta-secretase 1 Homo sapiens 910 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627691&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561416 COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(C)C(=O)c3cccc(c3)C(=O)N1)c2 InChI=1S/C33H41N3O5/c1-33(2,26-13-9-14-27(21-26)40-4)34-22-30(37)29-19-23-10-7-15-28(18-23)41-17-6-5-16-36(3)32(39)25-12-8-11-24(20-25)31(38)35-29/h7-15,18,20-21,29-30,34,37H,5-6,16-17,19,22H2,1-4H3,(H,35,38)/t29-,30+/m0/s1 KMZTVKCJBGRXHN-XZWHSSHBSA-N 50627692 CHEMBL5400043 Beta-secretase 1 Homo sapiens 1030 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627692&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561417 COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(CCC(F)(F)F)C(=O)c3cccc(c3)C(=O)N1)c2 InChI=1S/C35H42F3N3O5/c1-34(2,27-12-8-13-28(22-27)45-3)39-23-31(42)30-20-24-9-6-14-29(19-24)46-18-5-4-16-41(17-15-35(36,37)38)33(44)26-11-7-10-25(21-26)32(43)40-30/h6-14,19,21-22,30-31,39,42H,4-5,15-18,20,23H2,1-3H3,(H,40,43)/t30-,31+/m0/s1 QRADGLCPTLHEAC-IOWSJCHKSA-N 50627693 CHEMBL5425367 Beta-secretase 1 Homo sapiens 2100 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627693&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561418 COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(CC(C)(C)C)C(=O)c3cccc(c3)C(=O)N1)c2 InChI=1S/C37H49N3O5/c1-36(2,3)25-40-18-7-8-19-45-31-17-9-12-26(20-31)21-32(39-34(42)27-13-10-14-28(22-27)35(40)43)33(41)24-38-37(4,5)29-15-11-16-30(23-29)44-6/h9-17,20,22-23,32-33,38,41H,7-8,18-19,21,24-25H2,1-6H3,(H,39,42)/t32-,33+/m0/s1 IBEPMPMHRMTCKS-JHOUSYSJSA-N 50627694 CHEMBL5411166 Beta-secretase 1 Homo sapiens 1900 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627694&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561419 COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(CCN(C)C)C(=O)c3cccc(c3)C(=O)N1)c2 InChI=1S/C36H48N4O5/c1-36(2,29-14-10-15-30(24-29)44-5)37-25-33(41)32-22-26-11-8-16-31(21-26)45-20-7-6-17-40(19-18-39(3)4)35(43)28-13-9-12-27(23-28)34(42)38-32/h8-16,21,23-24,32-33,37,41H,6-7,17-20,22,25H2,1-5H3,(H,38,42)/t32-,33+/m0/s1 GUBAXMRVTIMLGI-JHOUSYSJSA-N 50627695 CHEMBL5409955 Beta-secretase 1 Homo sapiens 52400 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627695&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561420 CCCN1CCCCCOc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 InChI=1S/C36H47N3O5/c1-5-18-39-19-7-6-8-20-44-31-17-9-12-26(21-31)22-32(38-34(41)27-13-10-14-28(23-27)35(39)42)33(40)25-37-36(2,3)29-15-11-16-30(24-29)43-4/h9-17,21,23-24,32-33,37,40H,5-8,18-20,22,25H2,1-4H3,(H,38,41)/t32-,33+/m0/s1 RBRORTMADKIWQG-JHOUSYSJSA-N 50627696 CHEMBL5434858 Beta-secretase 1 Homo sapiens 6000 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627696&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561421 CCCN1CCOc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 InChI=1S/C33H41N3O5/c1-5-15-36-16-17-41-28-14-6-9-23(18-28)19-29(35-31(38)24-10-7-11-25(20-24)32(36)39)30(37)22-34-33(2,3)26-12-8-13-27(21-26)40-4/h6-14,18,20-21,29-30,34,37H,5,15-17,19,22H2,1-4H3,(H,35,38)/t29-,30+/m0/s1 AZASRRIQYBSWGO-XZWHSSHBSA-N 50627697 CHEMBL5412274 Beta-secretase 1 Homo sapiens 1850 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627697&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561422 CCCN1CCOCCc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 InChI=1S/C35H45N3O5/c1-5-16-38-17-19-43-18-15-25-9-6-10-26(20-25)21-31(37-33(40)27-11-7-12-28(22-27)34(38)41)32(39)24-36-35(2,3)29-13-8-14-30(23-29)42-4/h6-14,20,22-23,31-32,36,39H,5,15-19,21,24H2,1-4H3,(H,37,40)/t31-,32+/m0/s1 GBKSTUMREALLDP-AJQTZOPKSA-N 50627698 CHEMBL5432126 Beta-secretase 1 Homo sapiens 22700 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627698&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561423 CCCN1CCCCc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 InChI=1S/C35H45N3O4/c1-5-18-38-19-7-6-11-25-12-8-13-26(20-25)21-31(37-33(40)27-14-9-15-28(22-27)34(38)41)32(39)24-36-35(2,3)29-16-10-17-30(23-29)42-4/h8-10,12-17,20,22-23,31-32,36,39H,5-7,11,18-19,21,24H2,1-4H3,(H,37,40)/t31-,32+/m0/s1 GYISSNTWJQZCHG-AJQTZOPKSA-N 50627699 CHEMBL5427012 Beta-secretase 1 Homo sapiens 3020 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627699&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51561424 CCCN1CCCCCc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 InChI=1S/C36H47N3O4/c1-5-19-39-20-8-6-7-12-26-13-9-14-27(21-26)22-32(38-34(41)28-15-10-16-29(23-28)35(39)42)33(40)25-37-36(2,3)30-17-11-18-31(24-30)43-4/h9-11,13-18,21,23-24,32-33,37,40H,5-8,12,19-20,22,25H2,1-4H3,(H,38,41)/t32-,33+/m0/s1 PYBIHWRQNXYDCA-JHOUSYSJSA-N 50627700 CHEMBL5410627 Beta-secretase 1 Homo sapiens 2030 ChEMBL 10.1021/acs.jmedchem.3c00812 10.7270/Q2F47TK7 37505188 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50627700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50627700&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51540383 Brc1ccc(cc1)-c1csc(\C=C\c2ccccc2)n1 InChI=1S/C17H12BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-12H/b11-6+ SYDBKCDQHZPJIJ-IZZDOVSWSA-N 50619515 CHEMBL5431573 Beta-secretase 1 Homo sapiens 44000 ChEMBL 10.1039/d3md00308f 10.7270/Q2JS9VT1 38020070 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50619515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50619515&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51540384 COc1ccc(\C=C\c2nc(cs2)-c2ccc(OC)cc2)cc1 InChI=1S/C19H17NO2S/c1-21-16-8-3-14(4-9-16)5-12-19-20-18(13-23-19)15-6-10-17(22-2)11-7-15/h3-13H,1-2H3/b12-5+ LTWVTLYTWICAEU-LFYBBSHMSA-N 50619516 CHEMBL5410177 Beta-secretase 1 Homo sapiens 77000 ChEMBL 10.1039/d3md00308f 10.7270/Q2JS9VT1 38020070 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50619516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5093&target=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50619516&enzyme=Beta-secretase+1&column=ki&startPg=0&Increment=50&submit=Search 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 6EJ3,5KR8,5KQF,5ENM,5ENK,4FSE,3SKG,3SKF,3R2F,3OHH,3OHF,3LPK,3LPJ,3LPI,7MYU,7MYR,7MYI,6UWV,6UWP,6UVY,6UVV,6UVP,6BFX,6BFW,6BFE,6BFD,4ZSR,4ZSQ,4ZSP,4ZSM,4YBI,4X7I,6DHC,5V0N,2P83,2HIZ,6OD6,6E3Z,5MXD,5HE7,5HE5,5HE4,5HDZ,5HDX,5HDV,5HDU,5HD0,4R95,4R93,4R92,4R91,4R8Y,4HA5,4H3J,4H3I,4H3G,4H3F,4H1E,4DJY,4DJX,4DJW,4DJV,4DJU,3L5F,3L5E,3L5D,3L5C,3L5B,3L59,3L58,7N66,7F1D,7DCZ,7D5A,7D36,7D2X,7D2V,6JT4,6JT3,6JSN,6JSG,6JSF,6JSE,5YGY,5YGX,3WB5,3WB4,3VV8,3VV7,3VV6,3UQR,3TPR,5HU1,5HU0,5HTZ,6PZ4,2ZHV,2ZHU,2ZHT,2ZHS,2ZHR,5MCQ,5MBW,5T1W,5T1U,4XXS,4X2L,4WY6,3S7M,3S7L,3OOZ,3LHG,3L3A,3L38,3INH,3INF,3INE,3IND,3IN4,3IN3,3IGB,2ZE1,2ZDZ,2QU3,2QU2,4D85,3S2O,3MSL,3MSK,3K5D,1YM4,3KYR,3IXK,3H0B,2ZJN,2WJO,7B1Q,7B1P,7B1E,6EQM,5QDD,5QDC,5QDB,5QDA,5QD9,5QD8,5QD7,5QD6,5QD5,5QD4,5QD3,5QD2,5QD1,5QD0,5QCZ,5QCY,5QCX,5QCW,5QCV,5QCU,5QCT,5QCS,5QCR,5QCQ,5QCP,5QCO,4LXM,4LXK,4LXA,4D8C,4D89,4D88,4D83,3VG1,3VF3,3VEU,3QBH,3PI5,3K5G,3K5F,3K5C,3DV5,3DV1,3DUY,2F3F Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1